NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3862 8.4045 118.7898 53.7273 33.0969 175.7118 2 E 3.9067 8.8483 119.9840 55.4205 30.1693 173.6330 3 R 4.6222 8.8970 124.5697 52.0802 31.3215 173.0177 4 P 4.1749 0.0000 0.0000 62.0743 32.4137 176.7258 5 E 3.9346 8.5455 121.6201 55.6664 30.2099 175.5735 6 P 4.1589 0.0000 0.0000 65.9220 31.4383 178.1630 7 E 3.9596 8.1032 117.2524 59.1926 29.4490 178.5660 8 L 4.0301 7.8498 118.5848 57.7907 41.7222 179.4384 9 I 3.3501 7.3427 119.6724 64.3063 37.0321 178.5622 10 R 4.0903 8.2696 119.4522 59.5380 29.7629 179.2568 11 Q 4.1479 8.3672 116.5756 59.2311 28.4128 178.2502 12 S 4.4934 8.2464 116.3631 60.7977 63.3024 176.3179 13 W 4.3985 8.8868 132.2805 60.3665 30.2959 177.6714 14 R 3.7877 8.0963 117.7890 59.9848 29.5960 177.5015 15 A 3.9280 7.5787 119.9653 55.5638 18.1989 179.7598 16 V 2.9660 7.1248 109.3015 62.9843 31.7350 178.4782 17 S 3.6509 7.0883 112.9427 60.0566 62.8479 175.9173 18 R 4.1816 7.1179 120.8797 57.1918 31.5562 176.6722 19 S 4.6533 7.5441 113.2337 54.5758 62.9060 172.3743 20 P 4.1154 0.0000 0.0000 66.7129 31.3494 178.2684 21 L 3.8848 7.8228 119.7151 57.8048 41.7332 178.6645 22 E 3.9262 8.0317 117.9239 59.8422 29.4991 178.9740 23 H 4.0910 8.2885 116.3641 58.5396 28.7268 178.0961 24 G 3.7384 8.5559 108.4126 47.9180 0.0000 175.8748 25 T 4.0457 7.9831 112.0070 64.4326 68.9172 177.1028 26 V 3.6143 7.3086 121.0104 65.6928 31.5016 177.6297 27 L 3.9519 7.8764 120.0723 58.4715 41.9275 179.1176 28 F 3.5469 8.5292 117.2627 59.8375 38.5920 177.6465 29 A 4.0930 8.4621 121.2036 55.2441 18.1766 179.6905 30 R 3.6180 7.8563 116.8212 59.2345 30.0361 178.1903 31 L 3.8806 7.7480 121.7064 57.7108 41.7645 179.1851 32 F 4.6514 7.9684 115.6949 60.1861 38.8385 177.4066 33 A 4.1513 7.5287 120.2190 55.1811 18.2751 179.3812 34 L 4.2809 7.9253 116.5267 56.5097 43.0737 177.5049 35 E 4.6451 8.5224 118.6499 52.5191 30.7909 173.7410 36 P 4.4350 0.0000 0.0000 65.5522 31.4383 176.9644 37 D 4.5834 7.9675 115.0770 55.9717 41.1833 177.7188 38 L 4.3206 8.2250 120.4452 56.8897 41.7570 178.6275 39 L 3.5837 7.6114 120.4688 57.8313 41.9789 177.3621 40 P 4.3073 0.0000 0.0000 65.2641 31.0075 177.7929 41 L 4.2021 7.7091 115.2336 55.9440 41.5196 177.8547 42 F 4.6725 8.0529 117.0432 57.4990 40.0277 176.9188 43 Q 3.8586 8.1373 123.4678 59.9560 29.3496 179.5730 *44 Y 3.5553 8.4511 120.6674 58.7897 35.5366 173.2693 45 N 5.0476 8.5098 110.6248 51.1068 40.7529 176.4422 46 G 3.6488 8.6721 106.6104 47.0241 0.0000 174.0451 47 R 3.9247 8.5170 119.5822 57.8612 28.2368 170.8908 48 Q 4.6426 8.7176 103.8800 59.9084 30.9763 173.1868 49 F 3.3516 8.2757 116.8524 60.1587 40.1419 173.2044 50 S 3.9530 4.0000 120.2283 59.0606 69.6924 175.8027 51 S 4.5356 7.1012 115.0181 59.2383 66.7870 174.9813 52 P 5.2234 0.0000 0.0000 63.2960 37.1098 176.5002 53 E 4.6449 8.0510 120.1220 54.3887 29.8375 176.9169 54 D 4.7900 7.8707 124.0472 53.5085 45.4179 175.9988 55 S 4.2344 8.6996 114.8749 61.1858 63.5217 175.4760 56 L 3.1908 7.7297 117.7883 55.3659 41.5459 177.1635 57 S 4.6836 7.3156 112.0339 58.3649 64.6003 175.5295 58 S 4.2256 7.5535 116.3472 58.3965 64.1758 173.5238 59 P 4.3788 0.0000 0.0000 66.4057 31.0493 179.5648 60 E 4.0389 8.1843 116.7650 60.9859 29.8261 181.9671 61 F 4.2960 8.2269 122.0373 61.2798 39.3536 177.3392 62 L 3.7765 7.9972 118.4700 57.7192 41.4513 179.2486 63 D 4.3660 8.3684 119.0732 57.2797 40.6946 178.2201 64 H 4.2830 8.0695 119.1722 58.9740 29.7531 177.2091 65 I 3.4591 7.1188 121.6993 64.4590 36.8469 178.4613 66 R 3.9322 7.6412 118.7970 59.2242 29.8755 179.3143 67 K 4.0185 7.8383 117.7503 59.3453 32.0524 179.4968 68 V 3.6912 8.2183 118.8803 66.5664 31.5084 178.1189 69 M 4.4323 8.4538 118.3624 58.3388 31.7479 178.8065 70 L 4.1539 8.2556 119.6497 57.5994 41.7741 179.6210 71 V 3.6954 7.9843 118.4086 66.0170 31.5278 178.1747 72 I 3.7232 7.9121 119.6937 64.3672 36.8059 177.8742 73 D 4.1077 8.3840 118.7772 57.2525 41.0855 178.1971 74 A 3.9161 8.0902 121.1072 54.9540 18.0828 179.4863 75 A 3.8832 7.6522 118.7514 55.1707 18.5777 179.7705 76 V 3.4183 7.5395 117.0432 66.1578 31.4299 178.1234 77 T 4.1569 8.0003 107.4591 63.2628 68.9758 174.7144 78 N 4.9235 7.4846 118.7132 52.8595 39.1986 176.6616 79 V 3.5309 7.3603 120.9543 64.7710 31.3053 177.6134 80 E 4.0774 8.0003 118.7363 58.9290 29.9686 177.0210 81 D 4.7418 7.9964 117.7794 51.6975 42.6774 175.1871 82 L 4.0467 8.0491 123.7918 57.1662 42.0183 178.7081 83 S 4.1534 7.9302 114.0490 61.3424 62.5097 176.6907 84 S 4.1696 7.9373 118.1461 61.1713 62.8175 175.8155 85 L 4.3039 8.0836 120.6771 55.8041 41.4869 178.6148 86 E 3.9286 7.8483 119.7200 59.9094 29.5622 179.4548 87 E 3.9741 8.1849 117.5777 59.2261 29.5597 178.7183 88 Y 4.0115 7.9646 119.3483 60.7433 38.9539 177.7686 89 L 3.9126 8.1609 119.7521 57.5122 41.6703 179.3651 90 A 4.0317 8.2260 121.0896 55.2811 18.4814 179.6562 91 S 3.9305 7.7651 111.1739 61.3125 62.5275 176.1016 92 L 3.9181 7.7983 123.3033 57.8644 41.6592 179.2480 93 G 3.5653 8.1075 106.0103 47.7660 0.0000 175.6853 94 R 3.6363 7.6701 122.5628 58.2921 29.4847 178.8043 95 K 3.8723 7.7339 118.0494 59.7292 32.0457 179.0972 96 H 4.2677 8.0359 116.1964 58.5937 28.7814 177.7976 97 R 3.7117 7.6345 120.7204 59.2475 29.4906 178.4322 98 A 3.9514 7.6530 119.4734 54.6444 18.4257 179.0421 99 V 4.0461 6.9758 107.5617 61.0502 32.1257 176.8792 100 G 4.1083 7.6199 106.6292 45.0341 0.0000 174.1286 101 V 3.9022 7.7540 120.2604 62.1904 32.3535 175.9240 102 K 4.4607 8.5989 126.5784 55.7822 33.1769 177.6051 103 L 3.4979 8.5251 124.4314 58.3250 41.6824 179.6214 104 S 4.1504 7.9598 113.4923 61.4647 62.8846 176.4832 105 S 4.3997 7.9795 119.8424 60.6001 62.3355 176.2632 106 F 4.3294 8.1734 120.3211 59.6398 38.6411 177.5777 107 S 4.4673 8.2295 114.5964 61.4965 63.0147 176.6281 108 T 3.8564 7.7582 118.9945 66.3057 68.1384 176.5732 109 V 3.4577 7.8226 120.4396 65.7485 31.4915 178.2499 110 G 2.7790 7.5779 105.5106 47.6298 0.0000 175.4818 111 E 3.9728 8.0823 121.2142 59.2460 29.2961 179.7429 112 S 4.1368 8.0360 115.2399 61.0892 62.8063 176.5341 113 L 3.7929 7.8161 123.5275 57.9742 41.7446 178.8716 114 L 3.8347 7.6612 118.9327 57.9435 41.5019 178.8538 115 Y 4.6186 7.8404 120.6246 60.5372 38.8690 177.9807 116 M 3.6447 8.0080 118.9399 58.3074 32.1673 178.2474 117 L 3.5431 7.4550 119.5299 57.4032 41.7819 179.2529 118 E 3.6383 7.6443 117.7694 58.8827 29.3296 179.0653 119 K 3.7504 7.5996 120.6395 58.8742 32.1915 178.4158 120 S 4.2689 7.3996 113.3673 60.2869 63.5678 175.6033 121 L 4.3947 8.1689 121.6695 54.7656 42.6646 177.7734 122 G 3.7919 8.4291 108.3381 45.4456 0.0000 174.0021 123 P 4.5117 0.0000 0.0000 65.3232 31.4681 177.3684 124 A 4.1490 7.6857 120.0214 54.2754 18.7055 178.0355 125 F 4.7375 8.2501 120.8277 57.0215 37.9004 175.5286 126 T 4.1130 7.4482 115.5939 60.4393 71.1342 173.4217 127 P 4.1279 0.0000 0.0000 65.7516 31.3206 178.7861 128 A 3.9424 7.8770 118.9407 55.4709 18.3356 179.6527 129 T 3.8222 7.6064 113.8805 66.6703 68.5085 176.8841 130 R 3.5515 7.9534 120.7819 59.1862 29.9723 178.4214 131 A 3.9933 8.2612 120.6508 55.0414 18.3217 179.3435 132 A 3.8757 8.0520 119.2370 55.2849 18.3770 179.9571 133 W 4.0789 8.2311 117.3656 59.9650 29.1321 178.9834 134 S 4.3136 8.5101 115.2084 61.6553 62.2885 176.6209 135 Q 3.9913 8.4254 120.9743 58.9019 28.5154 178.4569 136 L 3.8327 8.1810 121.4785 58.6505 42.0624 178.5290 137 Y 4.2059 8.5659 119.5599 60.5929 38.7321 178.1615 138 G 3.5826 8.4390 106.6173 47.7264 0.0000 175.5663 139 A 3.9758 7.9601 123.0862 54.6616 18.2735 179.9175 140 V 3.3566 7.4802 116.8275 66.1208 31.5387 178.3990 141 V 3.2818 7.3477 117.9562 65.9787 31.0722 177.8484 142 Q 3.8845 7.7558 116.3353 58.9119 28.9805 178.5557 143 A 4.1047 7.8404 121.5607 55.5522 18.3844 179.6419 144 M 4.1646 8.1756 117.5895 58.4075 31.9235 179.0438 145 S 4.1474 8.3707 114.5965 61.1925 62.8315 176.5516 146 R 4.2809 8.0624 121.2933 58.4635 29.5031 178.4004 147 G 3.6831 8.6423 105.6179 45.9863 0.0000 174.6454 148 W 4.7109 8.3391 120.4716 56.5128 29.2378 177.1471 149 D 4.6319 7.8721 118.9431 55.5958 40.4510 176.7220 150 G 3.7360 7.6761 114.1327 45.7141 0.0000 173.7056 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 1 M 8.40 4.39 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 E 8.85 3.91 0.00 2.06 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 2.23 1.96 0.00 3 R 8.90 4.62 0.00 1.71 1.82 0.00 3.17 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 4 P 0.00 4.17 0.00 1.86 1.97 0.00 3.59 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 5 E 8.55 3.93 0.00 2.03 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 2.35 2.42 0.00 6 P 0.00 4.16 0.00 2.15 2.05 0.00 3.61 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 2.08 2.10 0.00 7 E 8.10 3.96 0.00 2.06 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 2.38 2.48 0.00 8 L 7.85 4.03 0.00 1.82 1.71 0.89 0.88 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 9 I 7.34 3.35 1.73 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.21 0.00 0.00 10 R 8.27 4.09 0.00 1.86 2.06 0.00 3.16 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 1.78 0.00 11 Q 8.37 4.15 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.02 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 12 S 8.25 4.49 0.00 4.46 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 0.00 13 W 8.89 4.40 0.00 3.95 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 14 R 8.10 3.79 0.00 2.08 2.13 0.00 3.36 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 15 A 7.58 3.93 1.20 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 0.00 0.00 16 V 7.12 2.97 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 0.68 0.00 0.00 0.20 0.00 0.00 17 S 7.09 3.65 0.00 3.60 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 18 R 7.12 4.18 0.00 1.86 1.97 0.00 3.23 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 19 S 7.54 4.65 0.00 4.04 3.92 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 20 P 0.00 4.12 0.00 2.29 2.34 0.00 3.66 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 2.06 2.02 0.00 21 L 7.82 3.88 0.00 1.75 1.68 0.86 0.96 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 22 E 8.03 3.93 0.00 2.15 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 0.00 2.35 2.42 0.00 23 H 8.29 4.09 0.00 3.13 3.23 0.00 5.82 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 24 G 8.56 3.74 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 0.00 0.00 0.00 25 T 7.98 4.05 4.32 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 1.35 0.00 0.00 26 V 7.31 3.61 2.24 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 0.95 0.00 0.00 0.95 0.00 0.00 27 L 7.88 3.95 0.00 1.76 1.89 0.85 0.60 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 28 F 8.53 3.55 0.00 3.23 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 29 A 8.46 4.09 1.47 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 30 R 7.86 3.62 0.00 1.55 1.99 0.00 2.88 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.46 0.00 31 L 7.75 3.88 0.00 1.45 1.27 0.75 0.39 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 32 F 7.97 4.65 0.00 3.13 2.95 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 33 A 7.53 4.15 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 34 L 7.93 4.28 0.00 1.71 1.70 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.52 4.65 0.00 1.98 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 0.00 2.21 2.24 0.00 36 P 0.00 4.44 0.00 2.12 2.06 0.00 3.60 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 2.10 2.28 0.00 37 D 7.97 4.58 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 38 L 8.23 4.32 0.00 2.25 2.20 0.98 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.61 3.58 0.00 1.13 1.36 -0.09 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.31 0.00 2.18 2.08 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 41 L 7.71 4.20 0.00 1.69 1.51 0.92 0.56 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 42 F 8.05 4.67 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 43 Q 8.14 3.86 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.98 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 *44 Y 8.45 3.56 0.00 2.52 2.24 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 0.00 45 N 8.51 5.05 0.00 2.66 2.64 0.00 0.00 6.67 7.51 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 46 G 8.67 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 47 R 8.52 3.92 0.00 2.02 1.90 0.00 3.31 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 0.00 48 Q 8.72 4.64 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.98 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 49 F 8.28 3.35 0.00 2.90 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 50 S 4.00 3.95 0.00 3.45 3.30 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 51 S 7.10 4.54 0.00 3.60 3.66 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 52 P 0.00 5.22 0.00 2.03 1.90 0.00 3.66 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 1.84 1.58 0.00 53 E 8.05 4.64 0.00 1.94 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 2.12 1.83 0.00 54 D 7.87 4.79 0.00 2.54 2.39 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 55 S 8.70 4.23 0.00 3.98 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 56 L 7.73 3.19 0.00 1.60 1.53 0.98 0.30 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 57 S 7.32 4.68 0.00 4.01 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 58 S 7.55 4.23 0.00 4.16 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 59 P 0.00 4.38 0.00 2.21 2.18 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 60 E 8.18 4.04 0.00 1.97 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 2.31 1.93 0.00 61 F 8.23 4.30 0.00 3.04 3.19 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 62 L 8.00 3.78 0.00 1.75 1.66 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.37 4.37 0.00 2.96 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 64 H 8.07 4.28 0.00 3.39 3.34 0.00 5.60 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 65 I 7.12 3.46 1.76 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.90 0.00 0.00 66 R 7.64 3.93 0.00 2.00 2.00 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 67 K 7.84 4.02 0.00 2.02 1.93 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.63 7.81 68 V 8.22 3.69 2.42 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 1.21 0.00 0.00 1.12 0.00 0.00 69 M 8.45 4.43 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.99 0.00 70 L 8.26 4.15 0.00 1.97 1.77 0.97 0.75 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 71 V 7.98 3.70 2.34 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 1.20 0.00 0.00 1.23 0.00 0.00 72 I 7.91 3.72 2.04 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 1.54 0.84 0.43 0.00 0.00 73 D 8.38 4.11 0.00 3.34 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 74 A 8.09 3.92 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 75 A 7.65 3.88 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 76 V 7.54 3.42 1.91 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 0.99 0.00 0.00 0.15 0.00 0.00 77 T 8.00 4.16 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 78 N 7.48 4.92 0.00 2.81 2.77 0.00 0.00 6.58 8.46 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 79 V 7.36 3.53 1.96 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 0.60 0.00 0.00 0.76 0.00 0.00 80 E 8.00 4.08 0.00 1.95 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 2.28 2.25 0.00 81 D 8.00 4.74 0.00 2.60 2.46 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 82 L 8.05 4.05 0.00 1.68 1.67 0.85 0.80 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 83 S 7.93 4.15 0.00 4.02 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 84 S 7.94 4.17 0.00 3.87 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 85 L 8.08 4.30 0.00 1.89 1.75 0.92 0.69 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 86 E 7.85 3.93 0.00 2.15 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 2.33 2.40 0.00 87 E 8.18 3.97 0.00 2.04 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 2.40 2.37 0.00 88 Y 7.96 4.01 0.00 3.09 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 89 L 8.16 3.91 0.00 1.88 1.67 0.92 0.79 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 90 A 8.23 4.03 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 91 S 7.77 3.93 0.00 3.82 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 92 L 7.80 3.92 0.00 1.43 1.65 0.95 1.03 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 93 G 8.11 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 0.00 0.00 0.00 94 R 7.67 3.64 0.00 1.72 1.92 0.00 3.05 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.32 0.00 95 K 7.73 3.87 0.00 1.89 1.72 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.52 7.81 96 H 8.04 4.27 0.00 3.61 3.79 0.00 5.82 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 97 R 7.63 3.71 0.00 0.67 1.30 0.00 2.71 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 0.00 98 A 7.65 3.95 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 99 V 6.98 4.05 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 0.75 0.00 0.00 1.00 0.00 0.00 100 G 7.62 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 V 7.75 3.90 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 0.73 0.00 0.00 1.05 0.00 0.00 102 K 8.60 4.46 0.00 1.90 1.73 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.51 7.81 103 L 8.53 3.50 0.00 0.50 1.21 -0.14 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.96 4.15 0.00 4.07 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 0.00 105 S 7.98 4.40 0.00 3.75 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 0.00 106 F 8.17 4.33 0.00 3.25 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 0.00 107 S 8.23 4.47 0.00 4.14 4.19 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 0.00 108 T 7.76 3.86 4.30 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 1.14 0.00 0.00 109 V 7.82 3.46 2.37 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 1.02 0.00 0.00 0.79 0.00 0.00 110 G 7.58 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 0.00 0.00 0.00 111 E 8.08 3.97 0.00 2.14 1.96 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 2.33 2.35 0.00 112 S 8.04 4.14 0.00 3.80 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 0.00 113 L 7.82 3.79 0.00 1.48 1.51 0.63 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.66 3.83 0.00 1.95 1.84 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.84 4.62 0.00 3.00 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 0.00 116 M 8.01 3.64 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 117 L 7.46 3.54 0.00 0.62 0.41 -0.49 0.23 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 0.00 118 E 7.64 3.64 0.00 2.18 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 0.00 2.28 2.09 0.00 119 K 7.60 3.75 0.00 1.12 1.60 0.00 1.37 0.00 0.00 1.30 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.21 1.29 7.81 120 S 7.40 4.27 0.00 4.05 3.99 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 0.00 121 L 8.17 4.39 0.00 1.79 1.82 1.04 1.20 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 0.00 122 G 8.43 3.79 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 0.00 0.00 0.00 123 P 0.00 4.51 0.00 2.08 2.17 0.00 3.70 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 2.05 2.12 0.00 124 A 7.69 4.15 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.25 4.74 0.00 2.84 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 0.00 126 T 7.45 4.11 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 1.31 0.00 0.00 127 P 0.00 4.13 0.00 2.14 2.11 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 128 A 7.88 3.94 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.61 3.82 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 1.52 0.00 0.00 130 R 7.95 3.55 0.00 1.34 1.91 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 131 A 8.26 3.99 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.05 3.88 1.26 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 0.00 133 W 8.23 4.08 0.00 3.75 3.41 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 0.00 134 S 8.51 4.31 0.00 4.11 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 0.00 135 Q 8.43 3.99 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 136 L 8.18 3.83 0.00 1.51 1.75 0.85 0.21 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 0.00 137 Y 8.57 4.21 0.00 3.37 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 0.00 138 G 8.44 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.98 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 0.00 140 V 7.48 3.36 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 0.92 0.00 0.00 0.96 0.00 0.00 141 V 7.35 3.28 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 0.96 0.00 0.00 0.56 0.00 0.00 142 Q 7.76 3.88 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 143 A 7.84 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 0.00 144 M 8.18 4.16 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 145 S 8.37 4.15 0.00 3.89 4.13 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 0.00 146 R 8.06 4.28 0.00 2.06 2.04 0.00 3.12 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 147 G 8.64 3.68 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 0.00 148 W 8.34 4.71 0.00 3.54 3.09 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 0.00 149 D 7.87 4.63 0.00 2.72 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 0.00 150 G 7.68 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.