NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3342 8.1927 115.2789 57.7671 62.9626 173.5517 2 I 3.1331 8.2145 129.6418 63.6966 37.6958 176.3551 3 Q 4.1761 8.0900 119.1665 57.9103 29.6186 176.3635 4 A 4.1642 7.5879 119.8179 53.2275 19.3519 177.5898 5 E 3.7053 7.5443 117.4779 55.5620 29.6272 178.0666 6 E 3.8845 8.4230 122.0563 58.3680 29.8993 177.6445 7 W 4.5939 7.2753 115.4048 56.9675 28.9508 174.8458 8 Y 5.0861 7.5840 121.6895 57.0943 37.7995 174.7538 9 F 4.3254 9.2665 126.5087 56.5545 40.5984 178.5166 10 G 3.3603 5.7415 109.7562 46.6853 0.0000 176.2447 11 K 4.5077 8.4846 118.4183 54.6059 30.5836 175.4943 12 I 4.5862 7.2756 114.4180 58.3427 40.7673 177.0544 13 T 4.3116 8.0676 112.5477 61.0914 70.9952 175.6837 14 R 3.7982 9.1171 121.7869 59.6440 30.0488 178.5863 15 R 3.8651 7.9289 117.9958 59.3736 30.0947 177.9505 16 E 3.9724 8.3041 119.4949 59.1912 29.6547 178.9105 17 S 4.1087 8.3057 114.5251 61.5398 62.9716 176.4216 18 E 3.9767 8.4578 122.3257 58.9239 28.9522 179.1206 19 R 3.8861 7.8737 117.9615 59.5465 30.2223 178.3143 20 L 4.1469 7.6975 117.3998 57.8274 41.7163 179.1954 21 L 4.1654 7.7716 117.6846 56.6264 42.8121 178.3450 22 L 4.4368 7.8313 120.6973 53.1327 39.2679 176.3236 23 N 4.9189 7.2456 117.6031 51.2828 41.5717 174.7826 24 A 4.0789 8.7383 128.3292 54.8159 18.5949 177.9447 25 E 4.1747 8.3697 114.0416 57.6501 29.9771 176.6072 26 N 4.5398 7.9545 118.0032 51.8763 38.9109 173.5379 27 P 4.5461 0.0000 0.0000 61.4534 32.7345 175.6445 28 R 3.8403 8.1097 117.7575 57.9314 30.4013 177.6200 29 G 4.1355 9.0110 109.3429 46.5386 0.0000 173.3053 30 T 4.7625 7.5514 117.5736 63.7612 69.6636 173.5698 31 F 5.4830 8.9514 120.0802 56.1688 42.2614 172.5620 32 L 4.7157 8.6846 117.2502 54.8408 43.9503 174.0952 33 V 5.2276 9.1305 120.5099 61.4001 34.5768 174.5867 34 R 5.0743 9.2929 122.9689 54.6075 33.6271 173.7510 35 E 4.7372 8.9752 119.1358 56.0900 30.1770 177.3735 36 S 4.2927 8.1983 118.1986 58.3857 62.6828 174.3217 37 E 4.1551 8.9826 125.8464 58.8945 29.5546 177.9720 38 T 4.3038 7.8216 106.2869 61.7032 70.8162 174.0755 39 T 4.3559 7.8747 119.9336 61.1283 69.0184 173.9264 40 K 4.0397 8.4706 128.5733 57.5091 32.7137 176.9193 41 G 3.7418 8.8210 112.5933 45.6607 0.0000 172.6063 42 A 4.7552 7.4616 120.4494 50.0920 22.5173 175.5547 43 Y 5.0544 8.7454 116.7336 56.3732 42.1726 174.3072 44 C 5.2714 9.5081 120.2316 57.8163 35.1121 172.1859 45 L 5.1190 9.2957 129.0555 53.8680 43.6104 174.8762 46 S 5.2000 8.9484 123.4692 56.9567 65.1697 173.6494 47 V 5.0829 8.9207 124.6291 61.0495 34.8480 174.6996 48 S 4.9494 9.1992 122.8166 58.2304 64.8856 172.4713 49 D 5.2675 9.3187 120.8725 53.1588 45.5895 173.7567 50 F 5.2185 8.4938 122.7728 57.1048 42.2192 172.6943 51 D 4.8461 8.0409 124.2097 51.6719 42.7200 176.3435 52 N 4.0573 8.8433 116.3005 56.0853 38.9056 176.9988 53 A 4.0349 7.9455 120.4858 54.8643 18.6160 178.5058 54 K 4.1366 9.2410 114.0389 55.7208 33.6666 179.3093 55 G 3.1923 8.1816 108.3861 44.8130 0.0000 171.9764 56 L 4.8362 8.3809 123.7790 55.2596 42.9256 177.1921 57 N 4.9859 9.1536 122.3582 52.0327 41.3234 173.0633 58 V 4.8625 8.2414 118.6469 61.0363 34.2833 174.5755 59 K 4.5578 8.9592 126.2906 54.7980 35.4471 174.7035 60 H 5.2447 8.1585 119.1477 54.1690 31.9375 172.5798 61 Y 4.7615 8.8987 120.3564 55.9099 41.7418 174.5532 62 K 4.7384 8.7784 124.9631 55.9438 34.0447 175.0961 63 I 4.5093 8.9694 129.1481 60.0033 39.0728 175.1766 64 R 4.6166 8.7967 126.9347 54.6828 32.3284 175.4616 65 K 4.6168 8.1104 122.1582 54.5275 34.7309 175.7140 66 L 4.4315 8.7120 127.8364 53.9113 42.7598 177.8339 67 D 4.3201 8.6009 121.6883 57.5693 40.9753 178.3497 68 S 4.1043 7.9670 114.0479 60.2274 63.2993 174.5370 69 G 4.0470 8.7705 108.9367 45.6316 0.0000 173.3543 70 G 4.3915 7.5832 103.8866 44.2874 0.0000 172.0864 71 F 5.6108 9.3241 120.9910 55.8148 42.3491 174.1395 72 Y 5.2041 8.5589 118.4336 57.1864 41.0046 175.0699 73 I 4.2699 8.9876 120.5219 62.1832 38.6051 176.1981 74 T 4.7779 7.7949 114.4373 59.7369 69.2093 174.8480 75 S 3.0547 8.6778 122.8954 60.6155 62.9988 175.5194 76 R 3.9550 7.3369 117.8292 57.9032 29.9966 176.6765 77 T 4.1533 7.7998 113.7030 61.4789 69.5375 172.9896 78 Q 4.8346 7.7160 124.0020 53.8868 31.6028 175.3233 79 F 4.8473 8.7156 117.5941 55.7660 42.8118 176.1588 80 N 4.8094 8.9693 119.8865 55.5650 39.1437 175.8527 81 S 4.7307 7.8958 111.2981 55.6117 67.5294 174.7599 82 L 3.4397 7.4031 123.5948 58.1664 41.8133 178.9129 83 Q 4.2103 8.0614 117.5319 59.3936 28.6036 178.9768 84 Q 4.0098 8.0314 118.5867 58.5375 28.7226 178.4748 85 L 2.4400 7.4189 121.2190 57.6044 41.9924 179.2037 86 V 3.1723 7.5074 117.9600 65.7580 30.1957 177.8078 87 A 3.8882 7.8097 120.4847 55.1634 18.1915 178.9787 88 Y 3.8526 7.8584 118.1755 60.9728 38.8781 177.4299 89 Y 4.5071 7.6245 116.8780 58.7670 37.8352 177.2608 90 S 4.6509 7.3808 117.1796 58.8683 63.2535 174.6678 91 K 4.2860 7.0097 116.8628 56.3979 33.7771 176.1876 92 H 4.6862 7.7381 115.5003 53.6496 31.5159 174.5954 93 A 4.0895 8.6854 126.6910 53.7376 20.1547 180.0269 94 D 4.3474 7.8625 112.6688 55.9118 40.4244 175.0433 95 G 3.9330 9.0209 116.2455 46.3260 0.0000 173.4827 96 L 3.9716 7.8878 121.3412 53.6492 42.3797 177.8668 97 C 4.3780 8.6879 115.5151 61.2953 29.7697 173.3161 98 H 4.4417 7.0880 117.4616 55.0110 32.7363 173.5618 99 R 4.1735 7.6286 120.1924 55.6113 30.1917 175.9007 100 L 4.2771 8.5830 121.0557 55.2354 41.9159 176.2250 101 T 4.6117 8.9640 113.1388 62.8205 70.3849 174.3158 102 T 4.8413 7.7514 112.5884 58.4813 72.5145 172.5340 103 V 3.3414 8.3818 124.2482 62.5556 32.3192 175.0867 104 C 3.9106 8.3614 128.6771 59.3939 31.9089 171.9173 105 P 4.4847 0.0000 0.0000 62.9118 30.9731 176.1391 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 8.19 4.33 0.00 3.83 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 2 I 8.21 3.13 1.55 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.73 0.64 0.00 0.00 3 Q 8.09 4.18 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.26 0.00 4 A 7.59 4.16 1.22 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 0.00 0.00 5 E 7.54 3.71 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 2.06 1.47 0.00 6 E 8.42 3.88 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 7 W 7.28 4.59 0.00 3.55 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 8 Y 7.58 5.09 0.00 2.63 2.91 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 9 F 9.27 4.33 0.00 2.88 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 10 G 5.74 3.36 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 0.00 11 K 8.48 4.51 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 I 7.28 4.59 1.91 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 1.53 0.87 0.98 0.00 0.00 13 T 8.07 4.31 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 1.21 0.00 0.00 14 R 9.12 3.80 0.00 1.78 1.99 0.00 2.98 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 15 R 7.93 3.87 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 16 E 8.30 3.97 0.00 2.15 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 2.34 2.40 0.00 17 S 8.31 4.11 0.00 4.05 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 0.00 18 E 8.46 3.98 0.00 2.18 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 2.37 2.55 0.00 19 R 7.87 3.89 0.00 1.92 2.12 0.00 3.27 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 1.65 1.69 0.00 20 L 7.70 4.15 0.00 1.77 1.69 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.77 4.17 0.00 1.66 1.71 0.89 1.01 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 22 L 7.83 4.44 0.00 1.69 1.66 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.25 4.92 0.00 2.68 2.64 0.00 0.00 6.92 7.70 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 24 A 8.74 4.08 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 25 E 8.37 4.17 0.00 2.09 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 2.31 2.35 0.00 26 N 7.95 4.54 0.00 2.84 2.76 0.00 0.00 7.00 7.53 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 27 P 0.00 4.55 0.00 2.19 2.16 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 28 R 8.11 3.84 0.00 1.48 1.63 0.00 3.40 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 29 G 9.01 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 30 T 7.55 4.76 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 1.20 0.00 0.00 31 F 8.95 5.48 0.00 3.18 3.07 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 32 L 8.68 4.72 0.00 1.03 0.97 0.77 0.24 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 33 V 9.13 5.23 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 1.23 0.00 0.00 1.08 0.00 0.00 34 R 9.29 5.07 0.00 2.01 2.01 0.00 3.01 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 35 E 8.98 4.74 0.00 1.96 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 2.57 2.53 0.00 36 S 8.20 4.29 0.00 3.84 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 37 E 8.98 4.16 0.00 1.98 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 2.31 2.29 0.00 38 T 7.82 4.30 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 1.20 0.00 0.00 39 T 7.87 4.36 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 1.18 0.00 0.00 40 K 8.47 4.04 0.00 1.69 1.68 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 41 G 8.82 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 42 A 7.46 4.76 1.21 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 43 Y 8.75 5.05 0.00 3.18 3.15 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 44 C 9.51 5.27 0.00 3.01 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 45 L 9.30 5.12 0.00 1.83 1.79 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.95 5.20 0.00 3.82 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 47 V 8.92 5.08 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 1.16 0.00 0.00 1.09 0.00 0.00 48 S 9.20 4.95 0.00 3.94 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 49 D 9.32 5.27 0.00 2.75 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 50 F 8.49 5.22 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 51 D 8.04 4.85 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.84 4.06 0.00 2.73 2.92 0.00 0.00 6.91 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 53 A 7.95 4.03 1.23 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 54 K 9.24 4.14 0.00 1.67 1.77 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.31 7.81 55 G 8.18 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 0.00 0.00 0.00 56 L 8.38 4.84 0.00 1.91 1.68 1.10 0.89 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 57 N 9.15 4.99 0.00 2.80 2.81 0.00 0.00 6.02 7.22 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 58 V 8.24 4.86 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 0.66 0.00 0.00 0.91 0.00 0.00 59 K 8.96 4.56 0.00 1.58 1.12 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.56 7.81 60 H 8.16 5.24 0.00 2.85 3.08 0.00 5.64 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 61 Y 8.90 4.76 0.00 2.91 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 62 K 8.78 4.74 0.00 1.88 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.65 7.81 63 I 8.97 4.51 2.15 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 1.30 0.62 1.22 0.00 0.00 64 R 8.80 4.62 0.00 0.67 1.46 0.00 3.05 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 65 K 8.11 4.62 0.00 1.35 1.53 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.17 1.30 7.81 66 L 8.71 4.43 0.00 1.79 1.56 1.00 0.89 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 67 D 8.60 4.32 0.00 2.65 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 68 S 7.97 4.10 0.00 3.85 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 69 G 8.77 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 70 G 7.58 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 71 F 9.32 5.61 0.00 3.19 3.10 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 0.00 72 Y 8.56 5.20 0.00 3.43 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 73 I 8.99 4.27 1.89 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.91 0.00 0.00 74 T 7.79 4.78 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 1.33 0.00 0.00 75 S 8.68 3.05 0.00 3.54 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.34 3.96 0.00 1.83 1.96 0.00 3.08 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 77 T 7.80 4.15 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 0.73 0.00 0.00 78 Q 7.72 4.83 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.79 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 79 F 8.72 4.85 0.00 3.23 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 80 N 8.97 4.81 0.00 3.04 2.98 0.00 0.00 6.73 7.57 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 81 S 7.90 4.73 0.00 4.04 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 82 L 7.40 3.44 0.00 0.81 1.49 0.70 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.06 4.21 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.86 0.00 84 Q 8.03 4.01 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 85 L 7.42 2.44 0.00 1.53 1.62 1.18 0.69 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 86 V 7.51 3.17 1.54 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 0.31 0.00 0.00 -0.09 0.00 0.00 87 A 7.81 3.89 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 88 Y 7.86 3.85 0.00 2.89 2.29 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 89 Y 7.62 4.51 0.00 2.94 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 90 S 7.38 4.65 0.00 3.85 3.83 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 91 K 7.01 4.29 0.00 1.52 1.48 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.40 7.81 92 H 7.74 4.69 0.00 2.63 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.69 4.09 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 94 D 7.86 4.35 0.00 3.08 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 0.00 0.00 0.00 95 G 9.02 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 0.00 0.00 0.00 96 L 7.89 3.97 0.00 1.60 1.27 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.69 4.38 0.00 3.34 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 98 H 7.09 4.44 0.00 3.30 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.63 4.17 0.00 2.07 1.93 0.00 3.23 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 100 L 8.58 4.28 0.00 1.20 0.49 0.12 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.96 4.61 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 1.38 0.00 0.00 102 T 7.75 4.84 4.29 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 1.26 0.00 0.00 103 V 8.38 3.34 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 0.82 0.00 0.00 0.92 0.00 0.00 104 C 8.36 3.91 0.00 2.84 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 0.00 105 P 0.00 4.48 0.00 2.10 1.96 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00