NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8473 8.1400 114.7987 57.7658 64.6918 173.9308 2 L 3.9879 8.7098 124.6066 58.5045 41.7375 178.3372 3 L 4.0634 8.7777 119.7905 57.8830 41.9705 178.7894 4 E 4.0406 8.1431 118.1196 59.2775 29.2886 179.0488 5 F 4.6632 8.8393 121.2578 61.4612 39.4863 177.3537 6 G 3.5473 8.4385 105.3944 47.7193 0.0000 175.5760 7 K 4.0192 8.1943 122.1883 59.3211 32.2414 178.5576 8 M 4.1385 8.4900 118.8005 58.7058 32.0801 178.2171 9 I 3.6005 7.9345 120.2206 64.2486 37.1782 178.1124 10 L 4.4977 7.8140 122.3115 57.7892 41.7127 178.7367 11 E 3.9766 8.2204 117.4698 59.4433 29.4799 178.8433 12 E 4.1036 8.2121 118.3444 59.0415 29.9232 178.0259 13 T 4.4252 8.2646 107.4504 61.0157 70.2913 175.7090 14 G 3.8101 8.3280 110.1833 45.4956 0.0000 173.0953 *16 K 4.2917 7.4662 117.7817 55.9155 33.4706 175.0199 17 L 4.3792 8.1771 122.1962 54.2994 42.5901 177.6687 18 A 4.0324 8.9508 126.8501 54.8411 18.4213 177.0874 19 I 4.6651 7.6745 116.0120 59.3512 38.4010 173.6592 20 P 5.0343 0.0000 0.0000 61.7976 31.7452 176.5375 21 S 4.2651 7.9828 116.1387 60.7747 62.6660 174.5419 22 Y 4.6391 8.0856 114.9044 57.3537 39.3518 176.5908 23 S 4.5558 8.1228 114.8371 60.3018 63.9403 175.6091 24 S 4.9434 7.8216 116.1580 57.9910 63.4950 172.2969 25 Y 4.7605 8.1249 122.6432 58.4197 39.9868 175.4403 26 G 3.4705 8.2084 116.7184 46.8344 0.0000 173.1712 27 C 4.5337 9.4387 116.9093 58.0918 40.8237 173.8793 28 Y 4.4906 8.6290 114.4673 57.3987 39.4083 174.5966 29 C 4.8359 8.5942 119.2512 56.9138 40.9868 174.7769 30 G 4.3017 10.6555 113.2823 46.8298 0.0000 173.2094 31 W 4.7097 8.3671 126.3197 61.0956 31.2623 172.2733 32 G 4.1513 6.4891 106.0841 43.7174 0.0000 172.7372 33 G 4.0538 7.3531 113.9519 44.6734 0.0000 173.3598 34 K 4.6801 6.8394 119.6424 54.9669 35.8858 176.0315 35 G 4.4711 9.9302 106.0723 45.1344 0.0000 173.0244 36 T 4.2581 7.9841 115.3819 61.5642 69.1311 173.6296 37 P 4.6305 0.0000 0.0000 63.0200 31.8936 176.8415 38 K 3.7940 8.7191 121.3900 59.1209 32.3713 176.1401 39 D 4.4328 7.2706 115.6617 51.4305 41.8681 175.5484 40 A 4.0168 8.6323 119.8474 55.8335 18.0467 179.7926 41 T 4.0144 8.0767 113.7218 67.0413 68.5369 176.1348 42 D 4.6011 8.9119 120.0500 57.5500 41.1451 178.5268 43 R 3.9436 8.2361 118.6790 59.1833 29.9546 178.2373 44 C 4.1923 8.2572 116.5791 60.3862 39.9479 175.6202 45 C 4.3592 8.1782 118.1307 59.7215 41.0004 175.8042 46 F 3.6717 8.5116 122.6228 61.3236 38.8793 177.4267 47 V 3.4230 8.0499 117.8945 66.1102 31.2418 177.4115 48 H 3.8691 8.2604 118.0903 59.1305 29.5990 176.9937 49 D 4.1449 8.1553 120.9423 57.5594 40.7739 178.0880 50 C 4.0790 7.7896 116.9479 59.9510 39.8807 175.3968 51 C 4.1328 7.9572 119.4381 60.0112 44.0403 175.0001 52 Y 4.3634 8.0278 118.5038 61.0339 37.1619 178.8096 53 G 3.5893 8.0798 105.9557 47.5080 0.0000 174.9726 54 N 4.5687 7.8356 116.8087 54.2930 39.8666 175.0704 55 L 4.8220 7.5463 119.9039 52.6298 42.0287 175.0293 56 P 4.1843 0.0000 0.0000 65.6516 32.2704 178.5322 *59 D 5.0067 7.8914 117.2977 54.3555 42.4877 175.3318 *61 C 5.1371 7.6428 115.9620 57.3167 42.8776 172.9058 *67 N 4.8095 8.3165 116.6000 52.7836 38.4722 173.7161 68 P 4.1239 0.0000 0.0000 64.8192 32.1704 179.9888 69 K 4.1045 8.0795 119.2640 58.5289 32.2117 178.4720 70 S 4.4611 7.7862 110.8700 58.5176 64.9524 173.9250 71 D 4.4328 8.0900 121.3933 53.8785 41.3792 175.3810 72 R 4.4961 8.4132 125.7662 54.9659 31.5150 175.0724 73 Y 4.9553 7.7746 119.2390 55.0099 41.1373 174.6623 74 K 4.9901 8.5577 118.9338 55.0362 35.1986 174.9732 75 Y 5.5173 8.2766 120.4282 55.8107 41.4822 173.2470 76 K 4.6835 9.2528 118.7832 55.4512 37.0596 174.7051 77 R 5.1413 8.5521 118.5727 54.4212 32.4776 176.2075 78 V 3.9943 8.7491 124.4147 61.9501 32.4476 174.9192 79 N 4.1953 9.5054 124.0196 53.7160 35.4746 172.6926 80 G 4.3045 8.2600 113.5327 45.5225 0.0000 172.4110 81 A 4.1373 7.6907 123.3220 51.6722 18.9707 176.1426 82 I 4.6886 8.1728 122.6663 60.5022 38.5925 175.5099 83 V 4.3365 8.9731 127.3786 61.0050 33.9285 173.9131 84 C 4.8609 8.8326 126.5389 57.0842 40.4520 173.7183 85 E 4.5194 8.9764 124.1714 55.1492 30.6937 176.5636 86 K 4.4189 7.9546 123.0066 55.8895 33.5258 175.2963 *88 G 4.2254 8.2806 115.3164 45.3144 0.0000 172.8978 89 T 4.2159 8.8092 115.2754 61.0912 71.0113 175.8711 90 S 4.0892 8.5007 117.2169 62.0141 62.7577 177.6331 91 C 4.2465 8.1422 118.5258 60.1505 40.4876 175.9108 92 E 3.9903 8.1366 119.9391 59.4692 28.8367 179.1635 93 N 4.2738 8.3427 116.5625 56.4829 38.6277 177.7664 94 R 3.9693 7.9944 119.3829 59.0948 30.1464 179.1540 95 I 3.6138 8.0150 120.0643 64.4780 37.0895 177.5321 96 C 2.9476 7.9481 119.3619 59.4202 40.1331 175.5422 97 E 3.7756 7.9550 120.0259 59.3873 29.0058 178.7315 98 C 4.1640 8.0087 116.6012 60.0902 40.2475 175.9607 99 D 3.8012 7.9405 120.3974 56.8898 40.3890 178.4891 100 K 3.6873 8.1649 120.3814 59.5417 32.0455 178.5002 101 A 3.8699 7.7970 120.5041 55.1190 18.2625 179.4686 102 A 3.4752 7.7479 118.8798 54.9981 18.3825 179.6942 103 A 3.9128 8.1777 119.5171 55.3736 18.3869 179.9259 104 I 3.6177 7.7476 118.2941 64.5771 36.9321 177.8227 105 C 4.1803 8.0527 118.5072 59.6959 37.8742 175.2691 106 F 4.6049 8.1288 119.7635 60.6947 38.0088 177.6215 107 R 3.9523 8.1114 118.3367 59.5263 29.7237 178.3102 108 Q 4.1668 8.3531 117.9652 57.9804 29.2286 176.1998 109 N 5.0964 7.7218 115.4216 52.9691 39.8266 176.1960 110 L 4.1820 7.8838 121.5269 57.7578 41.7557 179.0648 111 N 4.5827 8.2894 114.6854 54.7527 37.3462 175.3568 112 T 4.5771 7.7584 107.4229 61.1346 69.4093 173.6603 113 Y 4.2335 8.0337 124.8459 57.9967 39.5855 174.7963 114 S 4.9500 8.7313 122.3280 56.3881 65.8089 175.4158 115 K 4.0973 8.8663 125.4442 59.0593 32.0244 179.0907 116 K 3.9171 7.7098 116.6486 59.0636 32.6188 177.0133 117 Y 4.4048 7.2914 116.6010 58.1990 38.2103 175.3340 118 M 4.4112 7.6159 120.8514 56.2777 32.4757 175.9614 119 L 3.6736 8.3953 121.2999 55.6235 39.9612 174.4256 120 Y 4.1628 8.1647 119.2121 56.8872 39.5820 173.7903 121 P 4.3653 0.0000 0.0000 62.2792 32.4635 176.5337 122 D 4.2580 8.9464 121.6306 57.3335 41.1488 178.0112 *124 F 4.7964 7.8384 111.1765 56.4203 39.5366 175.2459 125 L 3.7779 6.8479 119.3896 54.8776 41.4611 175.8360 126 C 4.8896 8.1718 117.6939 55.0469 40.9401 173.3938 127 K 4.6636 8.3167 123.6229 55.5250 35.2629 176.7881 128 G 4.2977 8.9258 109.1131 46.1232 0.0000 172.3425 129 E 4.3154 8.3974 121.4661 55.0689 30.6677 175.6725 130 L 4.7110 8.4258 124.1489 52.8449 44.4383 176.1533 131 K 4.1278 8.4717 125.7311 56.6152 32.9077 177.8710 *133 C 4.9002 8.5706 118.5531 57.4855 41.5371 173.7396 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 S 8.14 4.85 0.00 4.14 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.71 3.99 0.00 1.92 1.86 1.22 0.58 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 3 L 8.78 4.06 0.00 1.76 1.73 0.94 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 4 E 8.14 4.04 0.00 2.02 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 2.25 2.23 0.00 5 F 8.84 4.66 0.00 3.40 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 6 G 8.44 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.19 4.02 0.00 1.91 2.07 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.50 7.81 8 M 8.49 4.14 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 9 I 7.93 3.60 1.80 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.15 0.53 0.00 0.00 10 L 7.81 4.50 0.00 1.77 1.83 0.91 0.61 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 11 E 8.22 3.98 0.00 2.23 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 0.00 2.40 2.50 0.00 12 E 8.21 4.10 0.00 2.10 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 0.00 2.49 2.38 0.00 13 T 8.26 4.43 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14 G 8.33 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 *16 K 7.47 4.29 0.00 1.89 1.63 0.00 1.41 0.00 0.00 0.93 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.25 7.81 17 L 8.18 4.38 0.00 1.70 1.74 0.91 0.90 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 18 A 8.95 4.03 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 19 I 7.67 4.67 1.90 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 1.53 0.72 0.94 0.00 0.00 20 P 0.00 5.03 0.00 2.18 2.14 0.00 3.36 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 7.98 4.27 0.00 3.79 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 22 Y 8.09 4.64 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 23 S 8.12 4.56 0.00 4.09 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 24 S 7.82 4.94 0.00 3.99 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 25 Y 8.12 4.76 0.00 3.09 2.85 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 26 G 8.21 3.47 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 0.00 27 C 9.44 4.53 0.00 3.03 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 28 Y 8.63 4.49 0.00 3.25 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.59 4.84 0.00 3.52 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.66 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 0.00 0.00 0.00 0.00 31 W 8.37 4.71 0.00 3.11 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 32 G 6.49 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 0.00 0.00 0.00 0.00 33 G 7.35 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 0.00 0.00 0.00 34 K 6.84 4.68 0.00 2.01 1.80 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.53 7.81 35 G 9.93 4.47 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 0.00 36 T 7.98 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 1.15 0.00 0.00 37 P 0.00 4.63 0.00 1.93 2.02 0.00 3.46 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 1.54 1.75 0.00 38 K 8.72 3.79 0.00 0.79 0.74 0.00 1.69 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.94 0.21 7.81 39 D 7.27 4.43 0.00 2.83 2.76 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 40 A 8.63 4.02 1.42 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 41 T 8.08 4.01 4.40 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 1.01 0.00 0.00 42 D 8.91 4.60 0.00 3.00 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 43 R 8.24 3.94 0.00 2.10 1.96 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 44 C 8.26 4.19 0.00 3.27 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 45 C 8.18 4.36 0.00 3.38 3.54 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 0.00 0.00 0.00 0.00 46 F 8.51 3.67 0.00 2.55 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.05 3.42 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 0.93 0.00 0.00 1.04 0.00 0.00 48 H 8.26 3.87 0.00 3.12 3.29 0.00 5.64 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 49 D 8.16 4.14 0.00 2.65 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 50 C 7.79 4.08 0.00 2.89 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 51 C 7.96 4.13 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.03 4.36 0.00 3.03 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 53 G 8.08 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.84 4.57 0.00 2.86 2.85 0.00 0.00 6.78 7.44 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 55 L 7.55 4.82 0.00 1.56 1.51 0.86 1.21 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 56 P 0.00 4.18 0.00 2.19 2.29 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 *59 D 7.89 5.01 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 C 7.64 5.14 0.00 3.02 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 *67 N 8.32 4.81 0.00 2.73 2.77 0.00 0.00 7.37 8.03 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 68 P 0.00 4.12 0.00 0.81 1.27 0.00 3.47 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 0.00 69 K 8.08 4.10 0.00 1.81 1.94 0.00 1.74 0.00 0.00 2.01 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.39 7.81 70 S 7.79 4.46 0.00 3.94 3.95 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 71 D 8.09 4.43 0.00 2.74 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 72 R 8.41 4.50 0.00 1.80 1.88 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 73 Y 7.77 4.96 0.00 3.07 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 74 K 8.56 4.99 0.00 1.75 1.91 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.28 5.52 0.00 3.11 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 76 K 9.25 4.68 0.00 1.79 1.91 0.00 1.28 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.43 7.81 77 R 8.55 5.14 0.00 1.72 1.91 0.00 3.47 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 78 V 8.75 3.99 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 1.01 0.00 0.00 0.96 0.00 0.00 79 N 9.51 4.20 0.00 2.82 2.97 0.00 0.00 7.39 7.65 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 80 G 8.26 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 0.00 0.00 0.00 0.00 81 A 7.69 4.14 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 82 I 8.17 4.69 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.80 0.00 0.00 83 V 8.97 4.34 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.83 4.86 0.00 2.97 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 85 E 8.98 4.52 0.00 2.07 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 0.00 2.36 2.32 0.00 86 K 7.95 4.42 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.28 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 89 T 8.81 4.22 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 1.28 0.00 0.00 90 S 8.50 4.09 0.00 3.87 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 91 C 8.14 4.25 0.00 2.95 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 92 E 8.14 3.99 0.00 2.31 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 0.00 2.54 2.54 0.00 93 N 8.34 4.27 0.00 2.84 2.83 0.00 0.00 7.06 7.27 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 94 R 7.99 3.97 0.00 1.82 1.92 0.00 3.10 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 1.61 1.73 0.00 95 I 8.02 3.61 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.82 0.98 0.00 0.00 96 C 7.95 2.95 0.00 2.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.95 3.78 0.00 2.07 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 0.00 2.43 2.42 0.00 98 C 8.01 4.16 0.00 3.19 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 99 D 7.94 3.80 0.00 2.69 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 0.00 100 K 8.16 3.69 0.00 1.63 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.80 3.87 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 0.00 102 A 7.75 3.48 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.18 3.91 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 0.00 104 I 7.75 3.62 1.94 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 1.38 0.71 0.88 0.00 0.00 105 C 8.05 4.18 0.00 2.90 2.96 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 0.00 106 F 8.13 4.60 0.00 3.03 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 0.00 107 R 8.11 3.95 0.00 1.97 2.13 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.35 4.17 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.72 5.10 0.00 3.00 2.86 0.00 0.00 6.82 6.89 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 0.00 110 L 7.88 4.18 0.00 1.88 1.76 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.29 4.58 0.00 2.87 2.99 0.00 0.00 5.82 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 0.00 112 T 7.76 4.58 4.33 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 1.27 0.00 0.00 113 Y 8.03 4.23 0.00 3.06 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 0.00 114 S 8.73 4.95 0.00 3.72 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.87 4.10 0.00 1.82 1.90 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.58 7.81 116 K 7.71 3.92 0.00 1.60 1.72 0.00 1.17 0.00 0.00 1.41 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.23 7.81 117 Y 7.29 4.40 0.00 1.72 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 0.00 0.00 0.00 118 M 7.62 4.41 0.00 2.06 2.13 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 2.76 2.67 0.00 119 L 8.40 3.67 0.00 1.84 1.75 0.92 0.74 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 0.00 120 Y 8.16 4.16 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.37 0.00 2.38 2.22 0.00 2.29 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 122 D 8.95 4.26 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 F 7.84 4.80 0.00 3.24 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 0.00 125 L 6.85 3.78 0.00 1.08 1.49 0.36 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.17 4.89 0.00 3.03 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 0.00 127 K 8.32 4.66 0.00 1.77 1.66 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.39 7.81 128 G 8.93 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 0.00 0.00 0.00 0.00 129 E 8.40 4.32 0.00 2.00 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 2.34 2.42 0.00 130 L 8.43 4.71 0.00 1.56 1.51 0.51 0.33 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 0.00 131 K 8.47 4.13 0.00 1.90 1.75 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.57 4.90 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.