NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.3942 8.3231 115.2912 57.6716 63.2399 173.5011 10 G 3.6305 8.5959 117.1099 45.4339 0.0000 171.4695 11 L 4.2903 8.5091 119.8438 55.3465 43.0415 174.4240 12 T 4.4747 7.3341 112.0515 60.7508 70.2568 171.1791 13 D 4.6410 8.0892 121.8983 51.1443 43.1915 176.0926 14 V 3.6009 8.3263 118.2351 66.2798 31.3695 176.9770 15 D 4.4423 8.2586 117.1124 57.7285 40.9469 178.1246 16 E 4.0286 8.8598 119.1863 59.2401 29.4178 179.4863 17 V 3.6333 8.0746 118.4950 66.1396 31.5813 178.2277 18 I 3.8606 8.0361 119.5716 64.1885 36.8225 178.5775 19 K 3.9815 8.2727 119.4278 59.5403 31.9306 179.0544 20 D 4.3483 8.3874 119.3563 57.2533 40.6877 178.5332 21 L 3.9678 8.3619 121.1202 58.3855 42.0903 179.1425 22 S 4.1348 8.2296 114.9915 61.7980 62.7984 177.0119 23 R 3.9516 8.2631 120.8401 59.2639 29.8153 179.2154 24 L 4.0391 8.0677 118.7962 57.5940 41.6087 179.4201 25 L 4.0016 8.2376 119.3211 58.0515 41.3789 179.9141 26 R 3.9694 7.9472 116.7081 58.9310 30.0136 178.7904 27 K 4.0941 7.9124 118.8952 59.0933 32.3643 178.2109 28 L 4.6655 7.8874 116.8415 54.1504 42.2753 176.7055 29 V 4.2819 7.6479 117.4980 60.3948 33.2951 175.0760 30 K 4.1097 8.7444 127.9104 56.8275 32.3237 176.6974 31 T 4.7253 8.0478 112.5605 59.6916 72.1703 174.0220 32 R 4.2175 8.8750 123.9281 58.9580 30.4318 176.2700 33 W 5.6244 7.4065 113.9179 55.2989 31.8715 172.9870 34 I 5.5062 9.1572 113.3412 59.3013 40.8878 174.2482 35 A 4.8344 9.4706 125.1143 50.4616 22.3520 174.9930 36 V 4.9723 9.1083 123.2179 61.4669 34.2938 174.1872 37 Y 5.1737 9.1999 124.1110 56.3447 42.3292 174.3048 38 F 5.6707 9.1232 120.8698 56.1695 41.7699 174.6058 39 F 4.3467 9.3635 128.1878 58.9909 39.8062 174.1710 40 D 4.1109 8.5250 126.3250 54.4560 40.4049 172.9161 *44 R 5.2864 8.1266 118.0892 56.1835 30.9290 174.1896 45 D 4.9401 7.3522 121.5670 51.9856 44.4177 174.3837 46 F 5.3569 9.4764 117.5749 56.2978 40.7602 175.0675 47 A 5.2866 9.3051 126.6404 49.2415 21.1805 174.3012 48 P 3.4007 0.0000 0.0000 63.2089 31.2489 174.8042 49 A 4.5245 8.5506 124.6561 52.5406 20.5717 176.4145 50 R 4.7867 7.5573 113.1394 55.3721 33.4813 173.1828 51 S 4.9514 8.4980 119.0106 56.7438 66.3099 173.2743 52 T 4.4508 8.6963 117.2619 63.2049 72.0264 175.2464 53 G 4.1185 9.2739 114.4139 45.0927 0.0000 173.4667 54 L 3.8796 7.3422 119.2970 53.5387 42.4524 175.2688 55 P 4.3655 0.0000 0.0000 62.6636 32.3435 177.2825 56 A 3.9599 8.8589 124.6702 55.6168 18.1451 180.4563 57 S 4.0051 7.9351 110.2211 60.5224 63.3366 175.3301 58 F 4.6178 7.8572 119.9683 57.3945 39.0451 177.4897 59 L 4.0686 7.8032 120.5659 57.4534 41.3548 177.4993 60 P 4.2466 0.0000 0.0000 65.3284 31.3778 178.8615 61 V 3.5830 7.7646 116.7006 65.9464 31.3944 177.5923 62 F 4.1990 8.2697 119.2225 61.6161 39.3242 177.1378 63 R 3.7413 8.2647 116.3722 58.0142 29.8942 177.2238 64 E 4.4377 7.7052 114.9437 56.0325 30.4335 175.9659 65 M 4.4163 7.4983 119.6479 52.7716 31.5506 173.3866 66 P 4.7522 0.0000 0.0000 62.3395 32.8674 175.5207 67 L 4.7033 8.8825 122.1482 53.1299 44.1342 175.2699 68 A 4.9044 8.4733 126.3258 49.7155 20.2962 175.8772 69 P 4.3075 0.0000 0.0000 65.6793 31.7715 178.3505 70 D 4.3857 8.2567 116.4638 56.3691 41.2400 176.6952 71 K 4.3212 7.9374 116.5600 56.3194 33.3990 176.1504 72 I 4.4154 7.2445 119.4221 58.2851 38.4806 174.2208 73 P 4.2640 0.0000 0.0000 65.2295 31.1033 178.0669 74 L 3.9090 8.2972 119.7433 58.4691 41.8883 178.9825 75 L 3.9602 7.9644 119.8790 57.6356 41.9359 178.7713 76 K 3.9967 7.9074 119.3700 59.5134 32.1642 178.8222 77 S 4.0817 8.4310 115.8630 61.7061 62.7987 176.1721 78 M 4.0672 8.1688 120.9944 58.6666 31.7214 178.0774 79 L 3.8624 7.7339 118.7706 58.1188 42.3779 178.7042 80 R 4.0581 7.8779 116.7583 59.4014 30.2326 178.9123 81 K 4.1230 8.1798 115.5231 56.3054 32.6517 177.0510 82 R 3.8766 7.7682 117.1412 57.5641 28.1960 175.9818 83 Q 4.6928 7.7810 114.1184 53.8864 32.0100 175.6084 84 H 4.7380 8.4700 116.8107 55.7870 29.8838 174.6067 85 L 4.7965 8.8940 119.5930 53.3482 46.0712 174.8514 86 M 5.1689 8.7668 122.3229 53.6949 35.1688 174.4373 87 L 4.8463 8.9290 126.1161 53.3741 43.7506 177.3421 88 T 4.2630 8.7602 113.8501 62.7867 70.3817 174.6757 89 D 4.8132 7.4999 121.8999 52.4020 42.0207 174.2061 90 P 4.2714 0.0000 0.0000 65.5375 32.2472 179.5517 91 G 3.7583 8.2777 106.3687 48.6474 0.0000 173.9908 92 S 4.5597 7.9455 111.5521 57.6618 63.1306 173.5258 93 S 4.5195 7.8289 117.7885 57.4599 62.7650 174.3711 94 D 4.5879 8.6515 126.3934 54.8225 39.8094 176.6604 95 L 4.3629 7.8929 119.7380 54.9828 42.0740 175.9333 96 L 4.9545 7.0998 117.3601 52.6381 44.6694 176.6221 97 T 4.1784 8.0058 113.7392 61.0551 69.4796 173.2494 98 P 4.2209 0.0000 0.0000 65.7784 31.2781 178.5934 99 K 3.8747 8.0744 117.5046 59.7986 32.0139 178.6289 100 L 3.9870 7.8332 118.5173 57.5866 41.6794 179.1454 101 R 4.0481 8.4665 118.5416 59.4493 29.7450 179.2063 102 K 4.1061 8.0052 117.5914 59.3949 32.0178 179.2789 103 L 4.0275 7.9527 118.1450 57.1646 41.8034 178.7805 104 L 4.7000 7.9315 116.6789 54.3205 41.8819 178.5115 105 R 3.9452 7.6461 117.9113 59.0212 29.6000 177.0691 106 N 4.8922 8.1170 114.0788 52.8750 39.6442 174.4310 107 L 5.1666 7.8847 118.2868 53.0139 45.9099 175.2695 108 C 4.7981 9.0046 121.7900 57.8634 33.5514 172.5205 109 V 4.8034 8.6540 126.0132 60.9959 34.1932 173.5724 110 L 4.9801 9.0430 130.2543 53.3619 44.1480 174.5617 111 A 4.7014 9.2000 128.7676 50.2409 21.2669 175.3835 112 V 4.5087 8.1350 123.6565 60.4553 33.9255 173.2476 113 P 4.7646 0.0000 0.0000 62.8875 32.8237 175.9710 114 M 4.4454 8.9726 122.6559 54.2535 32.9362 175.3986 115 V 4.8078 8.3352 123.2222 60.6907 34.6274 174.8293 116 V 4.1927 8.5015 126.0168 62.0144 33.5470 175.6928 117 R 3.5763 9.6873 128.5888 57.5469 27.2730 177.2938 118 T 3.4382 7.7195 103.9463 61.8659 69.0512 172.0220 119 Q 4.2940 8.1771 125.1612 54.7959 29.8884 174.3770 120 V 4.3831 8.3562 125.8144 62.4452 32.1274 175.1699 121 I 4.5103 8.8382 120.4559 60.3796 39.4188 175.2188 122 G 4.5015 7.7409 108.4757 47.1855 0.0000 171.4421 123 A 5.0954 8.5877 119.7779 50.4917 23.1702 175.6978 124 V 4.6563 8.5373 120.1269 61.0905 34.3802 174.2975 125 F 5.3077 9.3795 127.0905 56.1236 41.5493 174.6824 126 M 5.1851 9.1217 122.3333 53.4027 35.6566 174.4008 127 A 5.0446 8.4007 124.1002 50.0873 22.5906 175.0771 128 R 4.8566 8.5125 118.5591 54.0173 35.1838 174.9751 129 T 4.4319 8.1318 110.1163 61.5797 69.7322 176.0966 130 R 3.9844 8.4214 122.4854 58.8664 30.1873 177.7010 131 D 4.4845 7.9506 115.9431 55.2318 41.2182 175.4259 132 N 4.9285 7.5449 116.1628 50.1125 41.2356 172.6087 133 P 4.2417 0.0000 0.0000 61.7005 31.7639 175.1201 134 P 4.2065 0.0000 0.0000 62.1044 31.8987 175.9030 135 F 4.3548 8.1978 117.8828 57.6526 39.3551 176.2023 136 S 4.7275 8.9622 120.3000 57.0755 66.1392 175.2583 137 D 4.4118 8.7444 122.4950 56.8216 40.3151 178.8842 138 A 3.9964 7.9669 120.8571 55.2098 18.4740 179.3929 139 E 3.9738 8.3081 117.3481 59.8065 29.2255 179.7648 140 T 3.8072 8.3277 109.8066 64.4487 68.7997 176.4985 141 A 4.0351 7.9862 123.9275 54.9871 18.3459 179.6936 142 I 3.6367 7.4961 118.2822 64.5415 37.1700 178.5772 143 I 3.6110 7.7160 120.5937 64.4095 36.8604 178.2977 144 R 3.8375 8.1777 119.6672 59.5524 29.8666 178.1076 145 D 4.3611 7.8639 117.9453 57.4927 40.8729 178.9677 146 L 3.9830 7.8559 119.2771 57.8701 41.5810 179.8096 147 V 3.6209 8.1718 118.6545 65.8888 31.5460 177.9666 148 S 4.0807 8.4362 113.3671 61.4973 62.3562 175.4251 149 H 4.0577 8.1050 120.2308 59.3856 29.5316 176.9149 150 A 4.0302 8.0792 122.0815 55.1647 18.1658 179.2082 151 A 3.9942 8.3438 119.5975 55.4703 18.4501 179.7105 152 L 3.9275 7.8596 118.3185 58.1996 42.1365 179.3585 153 V 3.5805 7.6415 117.8520 65.9579 31.4264 178.1674 154 V 3.5998 8.1154 118.5373 66.0150 31.4025 178.1269 155 S 4.0735 8.3679 114.2220 61.7311 62.6931 176.2372 156 H 4.2191 8.4372 119.7714 58.9005 28.5097 177.7045 157 M 4.2749 8.2855 120.5300 58.6221 31.5860 178.8903 158 Q 4.0358 8.0881 117.3884 58.7585 28.8913 178.3152 159 L 3.7884 7.5912 120.4023 57.1785 42.1921 177.9678 160 F 4.9412 8.0281 114.6544 57.3042 40.4941 175.8615 161 D 4.8321 7.9190 116.4717 55.5918 42.9073 175.8782 162 E 4.1373 8.1498 121.8394 56.5955 29.3739 176.5490 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 9 S 8.32 4.39 0.00 3.85 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 10 G 8.60 3.63 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 0.00 11 L 8.51 4.29 0.00 1.64 1.73 0.93 0.79 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 12 T 7.33 4.47 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 1.24 0.00 0.00 13 D 8.09 4.64 0.00 2.96 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 14 V 8.33 3.60 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 1.12 0.00 0.00 0.91 0.00 0.00 15 D 8.26 4.44 0.00 2.89 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 16 E 8.86 4.03 0.00 2.17 2.01 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 2.55 2.48 0.00 17 V 8.07 3.63 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 1.10 0.00 0.00 1.01 0.00 0.00 18 I 8.04 3.86 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.87 0.90 0.00 0.00 19 K 8.27 3.98 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.81 7.81 20 D 8.39 4.35 0.00 2.89 2.74 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 21 L 8.36 3.97 0.00 1.82 1.88 0.98 0.98 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 22 S 8.23 4.13 0.00 4.07 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 23 R 8.26 3.95 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 24 L 8.07 4.04 0.00 1.90 1.71 0.91 0.40 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 25 L 8.24 4.00 0.00 1.83 1.72 0.91 0.95 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 26 R 7.95 3.97 0.00 1.94 2.01 0.00 3.37 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 27 K 7.91 4.09 0.00 1.90 1.99 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 28 L 7.89 4.67 0.00 1.73 1.70 0.92 0.64 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 29 V 7.65 4.28 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 0.98 0.00 0.00 0.95 0.00 0.00 30 K 8.74 4.11 0.00 1.75 1.72 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.43 7.81 31 T 8.05 4.73 4.51 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 1.40 0.00 0.00 32 R 8.87 4.22 0.00 1.70 1.83 0.00 3.25 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 33 W 7.41 5.62 0.00 3.45 3.14 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 34 I 9.16 5.51 1.96 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 1.24 1.10 0.96 0.00 0.00 35 A 9.47 4.83 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 36 V 9.11 4.97 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 0.89 0.00 0.00 0.94 0.00 0.00 37 Y 9.20 5.17 0.00 3.10 3.21 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 38 F 9.12 5.67 0.00 3.06 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 39 F 9.36 4.35 0.00 2.56 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 40 D 8.53 4.11 0.00 2.62 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 *44 R 8.13 5.29 0.00 1.71 2.00 0.00 3.26 0.00 0.00 3.72 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 45 D 7.35 4.94 0.00 3.06 2.79 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 46 F 9.48 5.36 0.00 3.00 3.22 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 47 A 9.31 5.29 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 48 P 0.00 3.40 0.00 0.95 0.72 0.00 3.70 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 1.68 1.72 0.00 49 A 8.55 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.56 4.79 0.00 1.88 1.71 0.00 3.13 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 51 S 8.50 4.95 0.00 3.30 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.70 4.45 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 1.23 0.00 0.00 53 G 9.27 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.34 3.88 0.00 1.41 1.42 0.40 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.37 0.00 2.47 2.11 0.00 3.56 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 2.36 2.25 0.00 56 A 8.86 3.96 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 57 S 7.94 4.01 0.00 3.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.86 4.62 0.00 3.01 3.01 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 59 L 7.80 4.07 0.00 1.84 1.76 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.25 0.00 2.14 2.08 0.00 3.68 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 2.06 2.12 0.00 61 V 7.76 3.58 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 1.12 0.00 0.00 1.06 0.00 0.00 62 F 8.27 4.20 0.00 2.89 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 63 R 8.26 3.74 0.00 1.77 1.90 0.00 3.17 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 64 E 7.71 4.44 0.00 1.97 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 2.20 2.25 0.00 65 M 7.50 4.42 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 66 P 0.00 4.75 0.00 2.03 2.04 0.00 3.71 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 2.05 2.14 0.00 67 L 8.88 4.70 0.00 1.56 1.46 -0.09 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.47 4.90 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 69 P 0.00 4.31 0.00 2.31 2.25 0.00 3.94 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 70 D 8.26 4.39 0.00 2.66 2.74 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 71 K 7.94 4.32 0.00 1.93 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.55 7.81 72 I 7.24 4.42 1.87 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 1.28 0.91 0.91 0.00 0.00 73 P 0.00 4.26 0.00 2.16 2.10 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 74 L 8.30 3.91 0.00 1.81 1.68 0.92 0.41 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 75 L 7.96 3.96 0.00 1.80 1.80 0.62 0.48 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 76 K 7.91 4.00 0.00 2.10 1.98 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 77 S 8.43 4.08 0.00 4.00 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 78 M 8.17 4.07 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 79 L 7.73 3.86 0.00 1.80 1.91 0.34 0.64 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 80 R 7.88 4.06 0.00 1.81 1.98 0.00 3.38 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 81 K 8.18 4.12 0.00 1.81 1.84 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.54 7.81 82 R 7.77 3.88 0.00 1.93 1.98 0.00 3.38 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 83 Q 7.78 4.69 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 84 H 8.47 4.74 0.00 3.16 3.22 0.00 5.47 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.89 4.80 0.00 1.54 1.51 0.92 0.57 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 86 M 8.77 5.17 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 87 L 8.93 4.85 0.00 1.60 1.55 0.92 0.57 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 88 T 8.76 4.26 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 1.22 0.00 0.00 89 D 7.50 4.81 0.00 2.66 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 P 0.00 4.27 0.00 2.28 2.11 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.09 0.00 91 G 8.28 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 0.00 0.00 0.00 92 S 7.95 4.56 0.00 4.00 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 93 S 7.83 4.52 0.00 3.89 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 94 D 8.65 4.59 0.00 2.83 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 95 L 7.89 4.36 0.00 1.76 1.81 0.92 0.44 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 96 L 7.10 4.95 0.00 1.77 1.54 0.89 0.84 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 97 T 8.01 4.18 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 1.25 0.00 0.00 98 P 0.00 4.22 0.00 2.20 2.12 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 99 K 8.07 3.87 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.57 7.81 100 L 7.83 3.99 0.00 1.70 1.66 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.47 4.05 0.00 1.97 2.00 0.00 3.12 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 102 K 8.01 4.11 0.00 2.00 1.87 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.59 7.81 103 L 7.95 4.03 0.00 1.65 1.66 0.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.93 4.70 0.00 1.72 1.66 0.91 1.28 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 0.00 105 R 7.65 3.95 0.00 1.91 2.28 0.00 3.07 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 106 N 8.12 4.89 0.00 2.71 2.86 0.00 0.00 6.93 6.74 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 0.00 107 L 7.88 5.17 0.00 1.57 1.47 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 C 9.00 4.80 0.00 2.87 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 0.00 109 V 8.65 4.80 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 1.06 0.00 0.00 0.89 0.00 0.00 110 L 9.04 4.98 0.00 1.31 0.84 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 111 A 9.20 4.70 1.33 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 0.00 0.00 112 V 8.14 4.51 1.89 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 0.92 0.00 0.00 0.72 0.00 0.00 113 P 0.00 4.76 0.00 2.09 1.97 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 114 M 8.97 4.45 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 115 V 8.34 4.81 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 0.85 0.00 0.00 0.93 0.00 0.00 116 V 8.50 4.19 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 0.95 0.00 0.00 0.99 0.00 0.00 117 R 9.69 3.58 0.00 1.94 1.92 0.00 3.37 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 118 T 7.72 3.44 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 1.22 0.00 0.00 119 Q 8.18 4.29 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 120 V 8.36 4.38 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 0.90 0.00 0.00 0.88 0.00 0.00 121 I 8.84 4.51 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.96 0.00 0.00 122 G 7.74 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.59 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.54 4.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.90 0.00 0.00 125 F 9.38 5.31 0.00 3.29 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 0.00 126 M 9.12 5.19 0.00 1.74 1.41 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 127 A 8.40 5.04 -0.47 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 0.00 128 R 8.51 4.86 0.00 1.37 1.54 0.00 2.21 0.00 0.00 2.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.00 129 T 8.13 4.43 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 1.18 0.00 0.00 130 R 8.42 3.98 0.00 1.82 2.01 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 131 D 7.95 4.48 0.00 2.63 2.68 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 0.00 132 N 7.54 4.93 0.00 2.69 2.60 0.00 0.00 6.97 7.34 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 0.00 133 P 0.00 4.24 0.00 1.93 1.91 0.00 3.58 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 1.95 2.01 0.00 134 P 0.00 4.21 0.00 2.15 2.02 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 135 F 8.20 4.35 0.00 3.06 3.01 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 0.00 136 S 8.96 4.73 0.00 4.05 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 0.00 137 D 8.74 4.41 0.00 2.80 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 0.00 138 A 7.97 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 0.00 139 E 8.31 3.97 0.00 2.38 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 0.00 2.38 2.35 0.00 140 T 8.33 3.81 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 1.18 0.00 0.00 141 A 7.99 4.04 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 0.00 142 I 7.50 3.64 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.90 0.00 0.00 143 I 7.72 3.61 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.78 0.00 0.00 144 R 8.18 3.84 0.00 1.89 2.06 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 145 D 7.86 4.36 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.86 3.98 0.00 1.83 1.71 0.91 0.88 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 0.00 147 V 8.17 3.62 2.12 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 1.08 0.00 0.00 0.95 0.00 0.00 148 S 8.44 4.08 0.00 3.98 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 0.00 149 H 8.11 4.06 0.00 3.24 3.48 0.00 5.65 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 0.00 150 A 8.08 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.34 3.99 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 0.00 152 L 7.86 3.93 0.00 1.83 1.66 1.02 0.69 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 0.00 153 V 7.64 3.58 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 1.02 0.00 0.00 0.87 0.00 0.00 154 V 8.12 3.60 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 0.98 0.00 0.00 1.11 0.00 0.00 155 S 8.37 4.07 0.00 4.04 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 0.00 156 H 8.44 4.22 0.00 3.50 3.56 0.00 5.62 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 0.00 157 M 8.29 4.27 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.62 0.00 158 Q 8.09 4.04 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 159 L 7.59 3.79 0.00 1.32 0.55 0.65 0.08 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 0.00 160 F 8.03 4.94 0.00 3.15 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 0.00 161 D 7.92 4.83 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.15 4.14 0.00 2.08 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 0.00 2.32 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.