NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3749 8.2649 122.4669 51.8205 20.0680 176.2701 3 E 4.3832 8.6299 119.9014 55.6258 31.6609 173.7087 4 T 5.1487 8.7422 118.4842 61.8062 71.8611 172.9420 5 K 4.3672 9.1427 128.4525 54.8074 34.0177 174.8044 6 I 5.0138 8.3548 128.3127 59.5566 39.6369 175.2893 7 V 4.5355 8.5603 126.0610 61.0461 35.0703 174.2273 8 V 5.4303 7.7355 126.1215 60.0432 34.4142 174.5041 9 G 4.1439 8.2071 113.2768 45.5419 0.0000 172.2804 10 P 4.9217 0.0000 0.0000 64.4160 31.8875 177.3405 11 Q 4.1688 7.8490 117.3962 54.8130 29.2743 174.2209 12 P 4.2155 0.0000 0.0000 62.5530 31.9444 176.1579 13 F 4.7782 7.7692 116.5196 55.3526 40.2350 174.9270 14 S 4.5635 8.2597 114.4025 55.7330 64.5355 174.6240 15 V 3.3147 8.6125 127.6724 65.9294 31.0249 178.0535 16 G 3.6476 7.9879 104.2747 47.5595 0.0000 174.8983 17 E 4.2468 7.8108 119.2902 58.6080 30.0372 178.2922 18 E 4.2703 8.0003 118.0695 58.6207 29.8539 178.0697 19 Y 4.0790 8.1843 119.8781 60.2145 38.6889 176.0158 20 P 4.2603 0.0000 0.0000 65.4251 31.7281 178.0628 21 W 4.1157 8.1674 126.4550 60.3989 30.5704 177.4414 22 L 3.8753 7.8813 118.4903 57.3941 41.4293 177.9539 23 A 4.3978 7.0804 117.9038 51.6635 19.6204 177.3264 24 E 3.8759 7.3703 123.6172 60.2745 30.1650 177.9615 25 R 4.1311 7.4528 118.0284 55.4643 30.9007 177.1859 26 D 4.3632 8.6767 122.8063 57.2848 40.9823 177.5329 27 E 4.1112 7.9874 114.8726 57.9548 30.3482 177.2452 28 D 4.5570 7.8095 122.7080 53.3558 39.1664 176.6799 29 G 3.9378 7.8689 105.7971 46.5769 0.0000 171.0057 30 A 4.7188 8.5285 123.6601 50.0396 21.7182 175.3466 31 V 4.5418 8.4707 122.6506 61.5709 33.6970 174.7424 32 V 4.3004 8.5281 129.0996 61.1624 33.4082 174.5437 33 T 5.0166 8.5206 117.0684 59.7825 72.0287 172.8576 34 F 4.9314 8.9229 124.9785 56.7415 42.7457 173.6062 35 T 4.9326 7.7573 121.6044 61.5709 71.3322 173.3191 36 G 4.2266 8.8427 113.6230 44.3813 0.0000 172.4749 37 K 5.2329 8.3938 121.8584 53.7639 36.4114 176.1143 38 V 3.7101 8.4658 122.9343 63.2048 30.8580 176.3735 39 R 4.5353 8.6395 126.6128 55.5430 31.0083 177.0420 40 N 4.5275 8.8160 117.4814 56.6817 38.5929 174.5225 41 H 4.4490 6.9690 109.1980 56.2542 31.5215 172.5158 42 N 4.0985 8.5424 117.3216 53.8472 40.9331 173.8763 *47 V 3.9433 7.7777 116.2244 63.3166 32.4452 174.0443 48 N 5.0987 8.6981 123.3708 51.2779 41.1866 173.7875 49 A 3.6179 7.8148 122.8088 50.7722 19.8320 176.8723 50 L 3.9546 8.0666 124.6851 55.0385 43.6359 175.7142 51 T 4.7493 8.3043 122.4891 61.9128 71.0516 172.7861 52 L 4.9292 8.4700 127.1950 53.2086 44.0007 175.8729 53 E 4.7503 8.6323 121.7125 54.6052 33.7312 174.2711 54 H 4.6011 7.9862 115.7188 54.1672 32.7876 172.1324 55 Y 4.6251 8.1387 114.9662 55.5979 37.5613 173.9591 56 P 4.1726 0.0000 0.0000 64.0560 32.1513 175.9405 57 G 4.3870 9.2811 117.6701 46.5445 0.0000 175.3644 58 M 3.9736 8.1302 119.7690 58.2698 31.8812 179.0016 59 T 3.8127 7.7984 114.9207 66.8678 68.7422 176.6936 60 E 4.0496 8.2240 119.8925 59.1233 29.5336 179.3345 61 K 3.9371 8.3990 119.8021 59.5217 32.3404 178.8085 62 A 4.0502 8.2134 121.1913 55.1512 18.3151 179.5997 63 L 4.0256 8.2258 117.3743 57.9283 41.8099 179.6034 64 A 4.0915 8.2147 120.7489 55.1440 18.2919 179.5307 65 E 4.0606 8.1647 117.0627 59.3520 29.5723 179.4804 66 I 3.8566 7.9154 120.1085 64.3925 37.1360 178.6375 67 V 3.7258 7.8994 119.0561 66.0667 31.4637 177.8342 68 D 4.3665 8.1251 118.4411 57.3979 40.3234 178.3770 69 E 3.9129 8.4565 119.6053 59.1288 29.6282 178.7004 70 A 3.9457 8.2521 120.9778 55.2596 18.2682 179.8509 71 R 4.1435 8.0142 115.5148 59.1099 30.1695 178.5920 72 N 4.4241 7.7578 115.0702 55.3217 38.6009 176.7087 73 R 3.7677 6.9801 117.7626 55.5647 31.0511 176.6075 74 W 5.0173 7.3812 116.6274 53.9316 32.7835 173.8615 75 P 4.5552 0.0000 0.0000 62.1199 29.7991 175.1687 76 L 5.0555 8.2024 124.1764 53.3066 45.2200 177.3065 77 G 4.4206 7.7212 110.4188 45.2878 0.0000 176.6972 78 R 4.4556 9.0045 125.3708 55.9224 31.0418 174.6645 79 V 4.8347 8.6149 122.0151 61.4414 35.2564 174.1714 80 T 5.1832 9.1030 123.6429 61.7806 72.2003 173.1182 81 V 4.7475 9.0216 125.6575 61.3169 34.5227 174.0195 82 I 5.0429 9.0694 129.3157 59.7440 40.3758 174.3390 83 H 5.1514 9.1595 125.6744 54.4991 32.7886 172.9438 84 R 5.4863 9.3607 125.4385 55.7541 31.2794 175.8077 85 I 4.3287 7.6867 113.3767 60.3026 41.6338 174.3349 86 G 3.8051 8.5423 109.2402 44.9741 0.0000 171.1843 87 E 4.4234 8.4340 121.3877 55.7241 30.4500 177.4518 88 L 4.8754 8.9603 126.5973 52.7769 46.0154 175.7292 89 W 4.9681 9.6248 122.4961 53.8110 32.5265 173.7493 90 P 4.4917 0.0000 0.0000 64.8774 31.1562 176.5473 91 G 4.0655 8.8322 111.2412 45.4949 0.0000 173.9008 92 D 4.3642 8.1830 120.4194 54.1505 41.3267 175.3034 93 E 4.5670 8.4069 123.4979 55.9239 30.0591 176.2072 94 I 4.6209 8.8498 117.7426 60.9313 40.4652 175.8609 95 V 4.8916 7.7970 122.1658 59.9935 35.0226 173.7103 96 F 5.2000 9.1087 126.4161 56.2886 42.3672 173.4067 97 V 4.5859 8.3251 126.0362 60.8549 34.2355 174.2574 98 G 4.2081 9.1910 115.0280 44.2791 0.0000 171.6934 99 V 4.9264 8.7847 124.5748 61.1960 35.2700 174.2365 100 T 5.1220 8.2401 116.3383 60.4339 72.4450 172.4201 101 S 4.9200 8.4706 115.9956 57.6023 66.2196 174.8575 102 A 4.0954 8.6371 123.9186 53.6359 18.8526 177.7252 103 H 4.9240 8.1380 113.9670 53.0492 32.2136 173.9877 104 R 3.9289 8.7854 125.8817 59.9755 29.9606 178.5044 105 S 4.2251 8.1531 112.0861 61.4589 62.5003 176.0334 106 S 4.1073 8.1529 117.3031 61.4558 62.5953 176.4154 107 A 3.8333 7.8644 123.0719 54.9912 18.1217 179.7021 108 F 4.0567 8.1389 116.3128 60.8119 38.9734 177.7940 109 E 3.7391 8.1182 117.9295 59.1271 29.0473 179.3781 110 A 3.0331 6.8863 120.3816 54.4611 18.4011 179.8481 111 G 3.4846 7.9165 104.3191 48.1160 0.0000 175.8186 112 Q 3.9391 8.0898 121.0657 58.5090 28.7424 178.8696 113 F 4.1957 8.2387 121.5709 61.3011 39.3475 177.2504 114 I 3.7053 8.1856 119.6075 64.7564 36.9594 178.3034 115 M 4.0145 8.0099 119.4253 58.4067 31.6985 178.5375 116 D 4.3040 8.6926 119.2493 57.8444 40.9537 178.6160 117 Y 3.7806 8.1393 116.9130 60.2423 37.9001 177.7982 118 L 4.0414 8.2308 121.9737 58.2485 42.0945 179.3451 119 K 4.0360 8.0515 118.3307 59.5834 31.8695 179.5046 120 T 3.7482 7.6696 107.9021 64.8358 68.5641 175.4056 121 R 4.1298 7.5640 118.0209 55.0930 30.3432 175.5879 122 A 4.4389 7.6427 121.6070 51.5206 18.2713 177.0536 123 P 4.8989 0.0000 0.0000 63.1237 31.0184 175.7066 124 F 5.1881 7.8323 116.8364 56.1272 44.0015 175.7134 125 W 5.5935 8.8137 117.6627 54.8722 32.1849 173.9697 126 K 4.8628 9.0995 120.3284 55.1220 33.7939 175.4971 127 R 4.4545 8.4852 125.2578 54.5031 31.6661 174.8835 128 E 4.5994 8.6900 126.2827 54.1316 31.8982 175.5623 129 A 4.7619 8.7784 127.0827 51.7776 19.1804 176.4343 130 T 4.5700 8.1648 109.7403 58.9195 72.0549 171.6805 131 P 4.0342 0.0000 0.0000 64.0510 31.8296 176.7942 132 E 3.9162 8.7583 124.8560 56.2637 27.7867 173.3283 133 G 3.8412 7.1866 118.5137 44.6219 0.0000 174.8240 134 D 4.7961 7.7530 131.5610 53.3137 41.6129 174.0844 135 R 4.7832 8.9547 125.9224 54.3558 32.3476 174.7148 136 W 5.2547 9.1027 126.0092 55.3604 30.9300 175.4449 137 V 4.8389 8.7300 117.5764 59.1471 35.9770 174.7013 138 E 4.7272 8.8358 119.2580 56.1770 30.8801 176.7197 139 A 4.4701 8.4987 124.0678 51.2727 18.9200 177.9644 140 R 4.1936 8.2734 119.5476 57.3344 31.3178 175.6856 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 A 8.26 4.37 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 3 E 8.63 4.38 0.00 2.33 2.26 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 2.50 2.52 0.00 4 T 8.74 5.15 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 1.28 0.00 0.00 5 K 9.14 4.37 0.00 1.20 1.52 0.00 0.91 0.00 0.00 1.35 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.08 7.81 6 I 8.35 5.01 1.90 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 1.26 1.11 0.97 0.00 0.00 7 V 8.56 4.54 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 1.03 0.00 0.00 0.88 0.00 0.00 8 V 7.74 5.43 2.35 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 0.79 0.00 0.00 1.10 0.00 0.00 9 G 8.21 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 0.00 0.00 0.00 0.00 10 P 0.00 4.92 0.00 2.18 2.17 0.00 3.39 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 11 Q 7.85 4.17 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 12 P 0.00 4.22 0.00 1.95 1.82 0.00 3.63 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 1.97 2.01 0.00 13 F 7.77 4.78 0.00 2.94 2.99 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 0.00 0.00 0.00 14 S 8.26 4.56 0.00 3.80 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 15 V 8.61 3.31 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 1.01 0.00 0.00 0.89 0.00 0.00 16 G 7.99 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.81 4.25 0.00 2.12 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 2.34 2.34 0.00 18 E 8.00 4.27 0.00 1.63 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 2.43 1.92 0.00 19 Y 8.18 4.08 0.00 3.26 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 20 P 0.00 4.26 0.00 2.15 2.19 0.00 3.96 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 2.13 2.31 0.00 21 W 8.17 4.12 0.00 3.42 3.25 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 22 L 7.88 3.88 0.00 1.91 1.79 1.01 0.97 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 23 A 7.08 4.40 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 24 E 7.37 3.88 0.00 1.92 1.66 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 2.21 2.20 0.00 25 R 7.45 4.13 0.00 1.90 1.91 0.00 3.07 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.37 0.00 26 D 8.68 4.36 0.00 2.63 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 27 E 7.99 4.11 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 28 D 7.81 4.56 0.00 2.75 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 29 G 7.87 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 0.00 0.00 0.00 30 A 8.53 4.72 1.19 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 0.00 0.00 0.00 31 V 8.47 4.54 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 0.83 0.00 0.00 0.88 0.00 0.00 32 V 8.53 4.30 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 0.72 0.00 0.00 -0.21 0.00 0.00 33 T 8.52 5.02 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 1.46 0.00 0.00 34 F 8.92 4.93 0.00 3.10 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 35 T 7.76 4.93 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 36 G 8.84 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 0.00 0.00 0.00 0.00 37 K 8.39 5.23 0.00 1.59 1.72 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.35 7.81 38 V 8.47 3.71 2.27 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 0.93 0.00 0.00 0.92 0.00 0.00 39 R 8.64 4.54 0.00 1.91 1.86 0.00 3.39 0.00 0.00 3.55 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 40 N 8.82 4.53 0.00 2.74 2.91 0.00 0.00 6.81 8.16 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 41 H 6.97 4.45 0.00 3.22 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.54 4.10 0.00 2.61 2.74 0.00 0.00 6.80 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 *47 V 7.78 3.94 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 1.13 0.00 0.00 0.98 0.00 0.00 48 N 8.70 5.10 0.00 2.72 2.64 0.00 0.00 7.05 7.35 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 49 A 7.81 3.62 -0.03 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 0.00 0.00 50 L 8.07 3.95 0.00 1.67 1.51 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.30 4.75 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 0.99 0.00 0.00 52 L 8.47 4.93 0.00 1.42 1.40 0.75 0.53 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 53 E 8.63 4.75 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 1.78 2.00 0.00 54 H 7.99 4.60 0.00 2.82 3.05 0.00 5.51 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.14 4.63 0.00 3.19 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 56 P 0.00 4.17 0.00 2.05 2.02 0.00 3.76 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 2.07 2.10 0.00 57 G 9.28 4.39 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 0.00 58 M 8.13 3.97 0.00 1.97 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 59 T 7.80 3.81 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 0.90 0.00 0.00 60 E 8.22 4.05 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 61 K 8.40 3.94 0.00 1.93 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.47 7.81 62 A 8.21 4.05 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 63 L 8.23 4.03 0.00 1.93 1.81 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.21 4.09 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 65 E 8.16 4.06 0.00 2.29 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 2.36 2.48 0.00 66 I 7.92 3.86 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 0.94 0.00 0.00 67 V 7.90 3.73 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.05 0.00 0.00 68 D 8.13 4.37 0.00 3.03 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.91 0.00 2.23 2.25 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 2.42 2.30 0.00 70 A 8.25 3.95 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.01 4.14 0.00 1.97 2.02 0.00 3.20 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 72 N 7.76 4.42 0.00 2.76 2.75 0.00 0.00 6.94 7.20 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 73 R 6.98 3.77 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.18 0.00 74 W 7.38 5.02 0.00 3.33 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 75 P 0.00 4.56 0.00 2.24 2.14 0.00 3.94 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 2.10 2.05 0.00 76 L 8.20 5.06 0.00 1.66 1.68 1.00 1.02 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 77 G 7.72 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 78 R 9.00 4.46 0.00 1.58 1.46 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.36 0.00 79 V 8.61 4.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.95 0.00 0.00 80 T 9.10 5.18 4.46 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 1.40 0.00 0.00 81 V 9.02 4.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 82 I 9.07 5.04 1.53 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.62 0.86 0.00 0.00 83 H 9.16 5.15 0.00 3.28 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.36 5.49 0.00 1.94 1.83 0.00 2.98 0.00 0.00 3.17 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 85 I 7.69 4.33 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.91 0.00 0.00 86 G 8.54 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.43 4.42 0.00 1.87 1.78 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 1.74 1.96 0.00 88 L 8.96 4.88 0.00 1.37 1.37 0.81 0.88 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 89 W 9.62 4.97 0.00 3.33 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 90 P 0.00 4.49 0.00 2.12 2.08 0.00 4.06 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 2.18 2.21 0.00 91 G 8.83 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 92 D 8.18 4.36 0.00 2.79 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 93 E 8.41 4.57 0.00 1.28 1.77 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 2.23 2.15 0.00 94 I 8.85 4.62 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.88 0.00 0.00 95 V 7.80 4.89 1.79 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 0.83 0.00 0.00 0.98 0.00 0.00 96 F 9.11 5.20 0.00 2.34 2.32 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 97 V 8.33 4.59 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 0.93 0.00 0.00 0.95 0.00 0.00 98 G 9.19 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 0.00 0.00 0.00 0.00 99 V 8.78 4.93 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 1.02 0.00 0.00 0.86 0.00 0.00 100 T 8.24 5.12 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 1.16 0.00 0.00 101 S 8.47 4.92 0.00 3.91 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 0.00 102 A 8.64 4.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.14 4.92 0.00 3.18 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.79 3.93 0.00 1.96 2.07 0.00 3.34 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 105 S 8.15 4.23 0.00 3.99 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 0.00 106 S 8.15 4.11 0.00 4.09 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 0.00 107 A 7.86 3.83 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 0.00 108 F 8.14 4.06 0.00 3.20 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 0.00 109 E 8.12 3.74 0.00 1.19 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 110 A 6.89 3.03 1.03 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 0.00 0.00 111 G 7.92 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 0.00 0.00 0.00 112 Q 8.09 3.94 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 113 F 8.24 4.20 0.00 3.28 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 0.00 114 I 8.19 3.71 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.91 0.96 0.00 0.00 115 M 8.01 4.01 0.00 1.76 2.09 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.62 0.00 116 D 8.69 4.30 0.00 2.93 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 0.00 117 Y 8.14 3.78 0.00 2.75 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 0.00 118 L 8.23 4.04 0.00 2.08 1.91 1.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.05 4.04 0.00 1.93 1.84 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.57 7.81 120 T 7.67 3.75 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 121 R 7.56 4.13 0.00 1.97 2.01 0.00 3.09 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 122 A 7.64 4.44 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 0.00 123 P 0.00 4.90 0.00 2.23 2.12 0.00 3.77 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 1.70 1.95 0.00 124 F 7.83 5.19 0.00 3.08 2.87 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 0.00 125 W 8.81 5.59 0.00 3.76 3.38 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 0.00 126 K 9.10 4.86 0.00 1.77 1.70 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 127 R 8.49 4.45 0.00 1.18 1.39 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 128 E 8.69 4.60 0.00 1.98 1.78 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 2.15 2.16 0.00 129 A 8.78 4.76 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 0.00 130 T 8.16 4.57 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 1.27 0.00 0.00 131 P 0.00 4.03 0.00 2.07 2.09 0.00 3.83 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 2.04 2.13 0.00 132 E 8.76 3.92 0.00 2.10 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 2.23 2.29 0.00 133 G 7.19 3.84 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 0.00 0.00 0.00 134 D 7.75 4.80 0.00 2.94 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 0.00 135 R 8.95 4.78 0.00 1.90 1.77 0.00 3.09 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 136 W 9.10 5.25 0.00 3.12 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 0.00 137 V 8.73 4.84 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 1.00 0.00 0.00 138 E 8.84 4.73 0.00 2.13 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 0.00 2.34 2.40 0.00 139 A 8.50 4.47 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 0.00 140 R 8.27 4.19 0.00 1.79 1.80 0.00 3.29 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.