NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 N 4.7434 8.2827 118.2252 52.2450 39.1066 174.7211 26 E 3.7640 8.8483 119.1392 58.8286 29.3618 177.2009 27 S 4.1102 8.2957 112.9132 61.6464 62.8064 175.8131 28 V 3.6069 7.7607 120.2730 65.8139 31.2982 177.8798 29 I 3.9250 7.7799 119.4572 64.4812 36.9639 178.2606 30 E 4.0696 8.3761 119.3157 59.6383 29.2983 179.6563 31 S 4.1867 8.3025 115.2329 61.9122 62.9719 176.2219 32 C 4.3512 8.6772 119.8268 59.8061 39.6181 176.2653 33 S 4.2845 8.4279 115.4163 61.4081 62.6083 175.8861 34 N 4.5785 7.8875 118.7818 55.7072 38.5712 177.0053 35 A 4.2244 8.1592 121.5770 52.9144 18.8487 177.5228 36 V 4.1882 7.3495 118.0930 60.7000 32.7763 174.8895 37 Q 4.2137 8.6670 128.7826 57.8613 29.1524 176.3638 38 G 3.9774 9.0980 113.7868 45.4688 0.0000 173.7801 39 A 4.1938 7.8266 120.5635 53.4531 19.4347 177.6388 40 A 4.4132 7.7199 120.7784 51.4851 17.8894 177.5634 41 N 4.9238 7.4608 120.2981 50.8836 42.4661 173.1516 42 D 4.2819 8.6775 127.9396 57.6044 40.5292 178.5690 43 E 3.7656 8.0223 118.8702 59.2827 29.7506 178.6021 44 L 3.5929 8.1770 119.1564 57.6565 41.6277 179.7765 45 K 3.6500 7.9276 118.3560 58.7887 31.3447 179.6296 46 V 3.4672 7.4477 118.9946 66.1250 31.3592 177.7385 47 H 4.2391 7.2847 116.1655 58.6066 28.0317 177.3508 48 Y 4.0095 7.3782 118.3677 61.2200 37.4812 178.9553 49 R 4.1782 8.0931 117.0711 57.9553 30.1667 177.7223 50 A 4.5061 7.1223 118.4960 50.6833 19.3436 176.1833 51 N 4.0583 7.7514 114.6467 55.2442 37.1372 174.0506 52 E 4.4649 7.9395 117.5054 54.5895 31.2303 175.5848 53 F 5.1518 8.4346 122.4954 54.5664 39.9572 173.1217 54 P 4.5243 0.0000 0.0000 62.5290 32.1468 177.0299 55 D 4.3679 8.3314 121.4707 52.8685 39.6849 175.4275 56 D 4.7681 7.0561 121.7781 49.7137 44.5360 174.6178 57 P 3.9987 0.0000 0.0000 65.5453 31.2206 179.2659 58 V 3.5878 7.7155 116.5432 66.4870 31.6159 178.0873 59 T 4.1243 8.5026 117.1361 66.2557 68.2422 176.1748 60 H 4.1903 8.2517 118.4705 59.4291 28.7486 177.2333 61 C 4.4045 8.1308 117.5541 59.6780 40.8543 175.9752 62 F 3.9580 8.4999 122.7780 61.2611 38.9587 177.3534 63 V 3.0606 8.2322 118.2826 65.6685 31.1774 177.7456 64 R 3.7109 7.8835 118.4437 59.5858 29.8075 177.5468 65 C 4.1520 8.1301 118.1078 59.8107 44.8157 175.6159 66 I 3.4632 7.4080 121.5216 64.1368 36.4927 178.6879 67 G 3.7094 7.9138 106.5867 47.7681 0.0000 175.7790 68 L 4.3226 8.3202 121.8511 57.7750 41.4802 179.5419 69 E 4.0465 8.2510 117.4655 58.9922 29.4824 178.4816 70 L 4.3815 7.9306 116.0194 53.8353 41.9997 176.3303 71 N 4.4515 7.8507 115.1325 54.5075 36.7596 175.1116 72 L 4.4802 8.3120 118.3276 55.8516 42.5189 175.9787 73 Y 5.4775 7.8063 117.5191 56.7964 41.7735 172.8893 74 D 4.5703 7.4324 122.9817 52.5013 44.5575 176.1137 75 D 4.2622 8.6331 125.9281 56.9828 41.2557 177.6233 76 K 3.8144 7.8148 118.5225 58.3786 32.7211 176.7398 77 Y 4.8406 7.2371 113.9100 56.5567 39.3600 176.6918 78 G 3.8059 7.6740 108.7127 45.9742 0.0000 173.5392 79 V 4.3901 8.3748 123.0220 61.7668 32.4110 175.1546 80 D 4.2162 8.5121 127.5485 53.0154 40.0942 176.5306 81 L 4.1347 8.5966 129.1072 57.6508 41.5319 179.3836 82 Q 3.9254 8.0199 119.0284 59.0205 29.1313 177.7860 83 A 3.9606 8.0195 121.3313 55.3465 18.2314 179.2355 84 N 4.4707 8.1713 113.9317 56.0532 39.0209 177.0238 85 W 3.9016 8.4846 130.0072 60.6202 30.5881 177.9753 86 E 4.6156 8.3871 119.7025 58.6313 28.6759 178.1682 87 N 4.5677 7.9140 114.9266 54.6964 39.1063 175.5532 88 L 3.5124 6.8890 118.7424 54.4333 42.1690 176.6037 89 G 3.6204 7.1658 105.9212 45.7001 0.0000 173.5816 90 N 4.7978 7.3432 115.5467 50.9634 41.2744 175.1942 91 S 4.6136 8.5065 113.4115 57.8946 64.2170 173.2352 92 D 4.9124 7.7661 120.5590 51.3339 41.6278 175.3598 93 D 4.4035 8.4445 118.6413 54.0438 41.1629 176.6851 94 A 2.0000 8.1417 126.7395 51.1964 19.0514 177.8418 95 D 4.1576 6.0500 120.9675 54.4365 42.6202 177.9164 96 E 3.8816 8.6569 123.1128 59.6932 29.5170 179.7014 97 E 3.9820 8.0540 116.9057 59.0090 29.7474 178.8741 98 F 4.0447 8.0464 121.4155 61.0940 39.5009 177.0747 99 V 3.4964 7.8036 117.5605 65.9268 31.3659 177.7664 100 A 3.9387 8.2407 121.0764 54.9832 18.2540 179.7024 101 K 3.8180 8.0735 117.4631 60.5779 32.5137 179.1182 102 H 4.1837 7.8404 117.4630 58.0771 28.5685 177.7800 103 R 3.8723 8.2229 120.1697 59.3612 29.9581 178.9319 104 A 3.9352 7.9487 120.3002 55.1301 18.1460 178.7566 105 C 4.1681 7.9728 115.8932 59.9518 39.6686 175.5771 106 L 4.0782 8.2353 120.8577 57.7127 41.1908 179.0024 107 E 3.9114 8.4192 119.1927 59.3359 29.3625 178.7350 108 A 4.1449 7.9688 119.1244 54.2056 18.5114 178.7151 109 K 4.1572 7.7841 115.0932 55.7635 33.6971 176.1881 110 N 4.7997 8.1483 116.7408 52.8820 36.8666 175.6671 111 L 4.0605 7.7294 118.7918 57.9762 42.7081 180.1765 112 E 4.0724 8.2246 117.5607 58.7169 29.5448 178.0747 113 T 4.2545 7.7849 107.2774 61.7563 69.4581 174.7642 114 I 4.1330 7.3570 124.4860 60.2513 37.0496 175.3120 115 E 3.9799 8.7519 127.6645 58.7495 29.9692 177.0481 116 D 4.5071 7.9780 119.0507 53.7444 42.0989 176.5480 117 L 4.0313 8.5930 127.9015 58.0367 41.6941 180.2361 118 C 4.3154 8.2499 116.1269 59.9706 39.7704 175.4228 119 E 3.7294 8.7564 121.1538 59.1177 29.0870 178.8028 120 R 3.8809 8.3378 118.7443 59.4596 30.1875 178.3861 121 A 3.4243 7.9388 120.4759 55.0577 18.4025 178.9691 122 Y 3.9178 8.1460 118.0857 60.8438 38.6697 178.0878 123 S 4.0812 8.2868 112.9252 61.3041 62.7774 175.6016 124 A 4.1045 8.1343 123.4477 55.4450 18.1750 179.7484 125 F 4.1084 8.1626 115.6348 60.1942 38.9851 177.7987 126 Q 3.9427 7.7760 117.8395 59.0728 28.1608 178.1279 127 C 4.4032 8.0282 116.8599 59.2088 40.0110 175.0138 128 L 4.6754 7.8289 118.6023 54.4057 41.4677 178.1221 129 R 4.0265 7.7826 120.8165 59.8769 30.0740 178.2794 130 E 4.0462 8.3223 117.6513 59.5667 29.4816 179.0777 131 D 4.4477 8.1673 118.3653 57.7339 40.9580 178.3038 132 Y 4.1310 8.2626 117.2513 61.0994 37.8874 178.3520 133 E 4.2251 8.7527 119.8951 59.5361 29.3311 179.0636 134 M 4.0812 8.0736 117.5072 58.7897 32.5043 177.3155 135 Y 4.3586 8.1748 119.6971 60.9822 38.5859 178.1295 136 Q 3.8213 8.5817 119.1843 58.4591 28.6242 177.5275 137 N 4.4019 8.0672 115.1924 54.3541 38.9576 176.1851 138 N 4.6036 7.6239 117.5231 52.6577 39.2596 175.6774 139 N 4.1872 7.6765 115.6114 53.8259 37.2104 176.7915 *153 E 3.9260 9.0608 119.0750 57.0008 31.8683 175.7862 154 L 4.7992 8.0491 120.2027 52.5646 41.6216 175.7176 155 W 4.7683 7.9478 119.7100 56.8377 29.5403 177.7673 156 S 4.2613 9.2345 119.5502 60.3540 63.3241 174.2633 157 H 4.9872 8.1737 117.0387 53.0036 28.2017 172.5751 158 P 4.5057 0.0000 0.0000 63.0375 31.1855 176.8688 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 25 N 8.28 4.74 0.00 2.92 3.06 0.00 0.00 5.74 6.77 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 26 E 8.85 3.76 0.00 2.17 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 2.42 2.47 0.00 27 S 8.30 4.11 0.00 3.95 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 28 V 7.76 3.61 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 1.01 0.00 0.00 0.98 0.00 0.00 29 I 7.78 3.93 2.16 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.72 1.19 0.00 0.00 30 E 8.38 4.07 0.00 2.16 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 2.67 2.54 0.00 31 S 8.30 4.19 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.68 4.35 0.00 2.81 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 33 S 8.43 4.28 0.00 4.34 4.38 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 34 N 7.89 4.58 0.00 2.88 2.95 0.00 0.00 6.98 8.53 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 35 A 8.16 4.22 1.35 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 0.00 0.00 36 V 7.35 4.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 37 Q 8.67 4.21 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 38 G 9.10 3.98 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 0.00 0.00 0.00 39 A 7.83 4.19 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 0.00 0.00 0.00 0.00 0.00 40 A 7.72 4.41 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 41 N 7.46 4.92 0.00 2.83 2.55 0.00 0.00 7.04 8.49 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 42 D 8.68 4.28 0.00 2.66 2.65 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 43 E 8.02 3.77 0.00 1.95 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 2.32 2.31 0.00 44 L 8.18 3.59 0.00 1.48 0.81 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.93 3.65 0.00 1.71 1.78 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.50 7.81 46 V 7.45 3.47 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 0.87 0.00 0.00 0.85 0.00 0.00 47 H 7.28 4.24 0.00 3.04 3.36 0.00 5.69 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 48 Y 7.38 4.01 0.00 2.96 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 49 R 8.09 4.18 0.00 1.77 2.00 0.00 3.20 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 50 A 7.12 4.51 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 51 N 7.75 4.06 0.00 2.93 3.04 0.00 0.00 6.73 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 52 E 7.94 4.46 0.00 1.98 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 2.20 2.29 0.00 53 F 8.43 5.15 0.00 3.13 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 54 P 0.00 4.52 0.00 2.23 1.94 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 55 D 8.33 4.37 0.00 2.81 2.65 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 56 D 7.06 4.77 0.00 2.75 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 57 P 0.00 4.00 0.00 2.13 2.10 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 58 V 7.72 3.59 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 1.32 0.00 0.00 0.94 0.00 0.00 59 T 8.50 4.12 4.53 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 1.61 0.00 0.00 60 H 8.25 4.19 0.00 3.29 3.38 0.00 5.64 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 61 C 8.13 4.40 0.00 3.17 3.17 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 62 F 8.50 3.96 0.00 3.14 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 63 V 8.23 3.06 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 0.47 0.00 0.00 0.77 0.00 0.00 64 R 7.88 3.71 0.00 1.89 2.08 0.00 3.33 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 65 C 8.13 4.15 0.00 3.01 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 66 I 7.41 3.46 1.32 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.04 0.64 0.00 0.00 67 G 7.91 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 68 L 8.32 4.32 0.00 1.88 1.80 0.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.25 4.05 0.00 1.93 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 2.44 2.45 0.00 70 L 7.93 4.38 0.00 1.70 1.73 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.85 4.45 0.00 2.97 3.06 0.00 0.00 6.89 7.85 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 72 L 8.31 4.48 0.00 2.04 2.04 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.81 5.48 0.00 3.16 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 74 D 7.43 4.57 0.00 2.34 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 0.00 0.00 0.00 0.00 75 D 8.63 4.26 0.00 2.61 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 76 K 7.81 3.81 0.00 1.25 1.04 0.00 1.39 0.00 0.00 0.93 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.96 7.81 77 Y 7.24 4.84 0.00 2.10 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 78 G 7.67 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 79 V 8.37 4.39 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 0.84 0.00 0.00 0.73 0.00 0.00 80 D 8.51 4.22 0.00 1.58 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 0.00 0.00 0.00 81 L 8.60 4.13 0.00 1.82 1.85 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.02 3.93 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 83 A 8.02 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.17 4.47 0.00 2.92 3.14 0.00 0.00 7.01 7.29 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 85 W 8.48 3.90 0.00 3.05 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 86 E 8.39 4.62 0.00 2.18 1.93 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 2.48 2.40 0.00 87 N 7.91 4.57 0.00 2.91 3.06 0.00 0.00 7.15 7.14 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 88 L 6.89 3.51 0.00 1.10 0.87 0.73 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.17 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 7.34 4.80 0.00 1.84 2.41 0.00 0.00 6.55 7.74 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 91 S 8.51 4.61 0.00 3.92 3.89 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 92 D 7.77 4.91 0.00 2.85 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 93 D 8.44 4.40 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.14 2.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 6.05 4.16 0.00 2.38 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 96 E 8.66 3.88 0.00 1.95 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 2.33 2.29 0.00 97 E 8.05 3.98 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 98 F 8.05 4.04 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.80 3.50 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 1.01 0.00 0.00 0.95 0.00 0.00 100 A 8.24 3.94 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 0.00 101 K 8.07 3.82 0.00 1.85 2.06 0.00 1.36 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 0.89 7.81 102 H 7.84 4.18 0.00 2.98 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.22 3.87 0.00 1.99 1.95 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 104 A 7.95 3.94 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 0.00 105 C 7.97 4.17 0.00 3.04 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.24 4.08 0.00 1.90 1.81 0.92 0.79 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 0.00 107 E 8.42 3.91 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 108 A 7.97 4.14 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 0.00 109 K 7.78 4.16 0.00 1.95 1.88 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.63 7.81 110 N 8.15 4.80 0.00 2.88 2.82 0.00 0.00 7.22 6.80 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 0.00 111 L 7.73 4.06 0.00 1.67 1.72 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.22 4.07 0.00 2.07 1.98 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 2.42 2.39 0.00 113 T 7.78 4.25 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 0.00 114 I 7.36 4.13 2.01 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 1.20 0.58 1.01 0.00 0.00 115 E 8.75 3.98 0.00 1.93 1.98 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 2.29 2.29 0.00 116 D 7.98 4.51 0.00 2.85 2.56 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 0.00 0.00 0.00 117 L 8.59 4.03 0.00 1.76 1.76 0.94 0.98 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 0.00 118 C 8.25 4.32 0.00 3.17 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 0.00 119 E 8.76 3.73 0.00 2.03 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 2.31 2.27 0.00 120 R 8.34 3.88 0.00 2.05 2.15 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 121 A 7.94 3.42 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.15 3.92 0.00 3.04 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 0.00 123 S 8.29 4.08 0.00 4.00 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 0.00 124 A 8.13 4.10 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 0.00 125 F 8.16 4.11 0.00 2.82 2.83 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 0.00 126 Q 7.78 3.94 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 127 C 8.03 4.40 0.00 3.11 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 0.00 128 L 7.83 4.68 0.00 2.10 2.04 1.13 0.31 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 0.00 129 R 7.78 4.03 0.00 1.97 2.10 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 130 E 8.32 4.05 0.00 2.17 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 2.45 2.53 0.00 131 D 8.17 4.45 0.00 2.88 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 0.00 132 Y 8.26 4.13 0.00 3.15 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 0.00 133 E 8.75 4.23 0.00 2.10 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 2.46 2.69 0.00 134 M 8.07 4.08 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 135 Y 8.17 4.36 0.00 2.94 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 0.00 136 Q 8.58 3.82 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 137 N 8.07 4.40 0.00 2.79 2.86 0.00 0.00 7.01 7.30 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 0.00 138 N 7.62 4.60 0.00 2.77 2.86 0.00 0.00 6.89 8.54 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 0.00 139 N 7.68 4.19 0.00 2.45 2.36 0.00 0.00 6.98 7.54 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 *153 E 9.06 3.93 0.00 1.98 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 2.31 2.37 0.00 154 L 8.05 4.80 0.00 1.54 1.49 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 155 W 7.95 4.77 0.00 3.17 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 0.00 156 S 9.23 4.26 0.00 3.94 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 0.00 157 H 8.17 4.99 0.00 3.21 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.51 0.00 2.09 2.04 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.