NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.1758 8.3716 117.5147 52.6682 39.9674 172.3219 3 L 3.6965 8.4824 120.9959 53.2960 41.7400 174.6560 4 P 4.4385 0.0000 0.0000 63.4899 32.4949 176.1878 5 T 4.3322 9.2381 111.3292 60.3233 71.5310 175.6980 6 A 3.9160 8.4962 122.5159 55.8920 17.7241 179.9259 7 Q 3.9529 8.0390 115.4850 59.1906 28.8026 178.9093 8 E 3.9282 7.7674 118.8563 59.0569 29.3784 179.5798 9 V 3.1738 7.7672 118.7168 65.9097 31.6111 177.9741 10 Q 4.0918 8.0740 117.9998 58.8936 28.3975 179.4908 11 G 3.4882 7.7220 105.9386 47.7641 0.0000 175.7801 12 L 3.9772 7.7044 122.0906 57.8101 41.5797 179.7229 13 M 4.1429 8.3019 118.3371 58.3168 31.9146 178.7380 14 A 4.0689 7.9729 120.6551 54.8209 18.4174 179.7058 15 R 3.7788 8.2871 117.8265 59.7005 30.1274 177.8180 16 Y 4.0407 8.2329 119.5610 61.1484 38.6664 178.5177 17 I 3.4788 7.7041 120.0140 63.9296 37.0984 177.9434 18 E 3.8576 7.9477 120.2117 59.2882 29.3908 178.9198 19 L 3.8326 7.9389 118.9321 57.9112 41.5113 179.6300 20 V 3.3913 7.4058 116.9396 66.0345 31.3652 177.1942 21 D 4.4170 8.1827 117.3367 57.1576 41.2179 178.0123 22 V 3.9904 7.6678 110.5297 61.1354 31.8636 177.0215 23 G 3.7921 7.9521 106.7785 46.6240 0.0000 174.9633 24 D 4.5414 7.7001 120.4058 53.0464 39.6380 176.0756 25 I 3.6412 7.9661 126.4932 64.0886 37.3066 177.4870 26 E 3.9385 8.1444 118.6073 59.3260 29.1138 179.1417 27 A 4.0135 7.9733 119.9577 54.9653 18.7188 179.5708 28 I 3.6829 7.6603 118.3223 64.6591 37.1059 178.7628 29 V 3.7387 7.9410 119.1787 66.1896 31.0086 177.6555 30 Q 4.1078 7.8042 117.9710 58.7353 29.1219 177.3925 31 M 4.2270 8.3100 119.2770 56.4644 32.0268 176.2163 32 F 4.8094 7.3113 117.4341 55.9978 40.4669 175.4727 33 A 4.3567 8.8595 126.6484 51.7243 19.1602 178.7972 34 D 4.4255 8.7658 119.3023 55.7204 39.6092 177.6566 35 D 4.5323 7.8593 116.7790 52.5553 39.8944 175.8967 36 A 4.8359 7.8799 121.7265 52.5865 19.9883 177.2884 37 T 4.9979 8.4272 108.4139 59.8417 72.2507 172.8847 38 V 4.7554 8.8189 124.9325 61.0682 34.8263 174.0190 39 E 4.7653 9.0027 127.0179 54.5957 31.6969 174.7551 40 N 5.1093 8.2105 123.4499 51.2234 41.5921 172.1184 41 P 4.4777 0.0000 0.0000 61.3212 33.4977 175.3978 42 F 4.0292 8.3869 123.6188 59.2487 39.5398 174.2976 43 G 3.5646 7.7284 116.1446 45.8404 0.0000 174.0041 44 Q 4.1359 7.1786 119.7876 53.8451 29.9671 173.4238 45 P 4.2644 0.0000 0.0000 61.8235 31.8571 174.5736 46 P 4.6765 0.0000 0.0000 62.8476 32.3220 175.3729 47 I 4.4588 8.6625 115.1080 59.7743 40.1528 173.8799 48 H 5.1331 8.7230 123.1239 55.5987 32.6812 173.8614 49 G 4.0561 9.2626 111.0134 46.0726 0.0000 174.5914 50 R 3.8927 8.3050 119.9041 58.9125 29.9397 179.2288 51 E 3.9180 8.1029 118.5820 59.6175 29.6932 178.8154 52 Q 4.0349 8.0333 117.4298 58.9504 28.7656 178.8494 53 I 3.7050 7.9183 120.7243 64.1794 37.0549 178.2736 54 A 4.1096 8.4559 121.8012 55.1001 18.2700 179.2525 55 A 3.9615 8.1613 119.3736 55.4203 18.4475 179.4391 56 F 4.0442 8.4956 119.1044 61.7815 39.4005 177.4525 57 F 3.8383 8.4963 117.2124 60.2812 38.4231 177.7371 58 R 3.9066 8.2956 118.2530 59.4147 29.9641 178.0608 59 Q 4.1249 7.9218 118.5958 58.9695 29.0946 178.1087 60 G 3.4208 7.6303 105.7784 45.8246 0.0000 173.8482 61 L 4.3746 7.5003 121.0825 52.7139 42.7914 176.8642 *65 K 4.0455 8.2126 123.5398 56.1353 32.0194 172.5406 66 V 5.2326 8.0810 121.0864 59.6817 34.5253 173.8529 67 R 4.9868 8.7582 123.4501 54.4523 32.5396 174.4001 68 A 5.5932 9.1686 121.7699 49.8124 22.9235 175.1577 69 C 4.7229 8.3845 110.2530 57.1535 32.5762 173.5889 70 L 4.6056 8.9064 122.7366 55.6996 41.6550 177.1173 71 T 4.4654 8.6053 112.6971 61.2288 69.3877 173.8585 72 G 4.0414 7.3585 109.5320 44.2801 0.0000 171.1024 73 P 4.4434 0.0000 0.0000 62.2456 32.0070 175.7756 74 V 4.0703 8.0596 119.1518 62.2195 32.1837 175.3684 75 R 4.4817 8.7254 127.6486 55.6636 31.3344 175.5839 76 A 5.1707 8.4821 124.0849 50.4667 22.7016 175.2678 77 S 4.7706 8.5615 114.8486 57.0601 65.8707 173.8809 78 H 4.8647 8.8073 116.6191 56.0288 28.8318 174.7052 79 N 4.9404 7.8050 117.2365 52.5974 37.4641 174.7669 80 G 3.9309 8.4033 104.6867 47.7613 0.0000 173.2356 81 C 5.4610 7.9744 115.4843 57.8589 32.2406 173.3424 82 G 4.6387 8.7768 106.8065 45.3522 0.0000 171.6198 83 A 5.5997 9.0902 122.0299 50.4770 23.0193 175.2380 84 M 5.2447 9.2494 118.4418 53.0188 35.4160 172.1401 85 P 5.4432 0.0000 0.0000 61.7778 33.6727 174.2729 86 F 5.3979 8.8651 117.2816 56.0286 41.8577 172.5875 87 R 4.9759 8.9485 120.2276 54.5565 32.9452 174.5038 88 V 4.8224 8.8251 125.9673 61.3074 33.9233 173.9500 89 E 5.2156 9.1277 128.1299 55.3878 32.4044 175.3784 90 M 5.1412 8.4935 118.7819 55.4303 34.9492 173.7769 91 V 4.8111 8.2153 117.1021 61.1473 32.4055 173.6608 92 W 4.5372 9.5496 135.0000 58.0985 31.6471 176.4329 93 N 4.1488 10.2000 124.6782 54.3453 35.4344 174.4299 94 G 4.0637 8.1481 107.0129 45.3070 0.0000 172.9335 95 Q 4.3694 8.4260 122.3654 53.8937 30.0105 172.9019 96 P 5.0073 0.0000 0.0000 62.8557 32.5882 174.9340 97 C 4.9650 8.6846 114.4164 57.4084 33.4599 172.3798 98 A 5.2334 9.2931 121.6446 50.0525 22.3276 174.8060 99 L 4.9979 8.8349 122.4131 53.2960 45.2850 174.8545 100 D 5.0059 8.4209 126.0489 53.0422 41.9247 176.1325 101 V 4.6896 8.4030 123.1739 60.9778 35.7710 174.0662 102 I 5.0585 8.3703 124.7271 59.7186 40.6759 174.0681 103 D 5.6605 9.3336 126.8980 52.7332 43.6193 175.6599 104 V 4.8650 9.1828 122.7813 61.6217 34.2812 174.1392 105 M 5.1719 8.9066 127.3074 53.3875 35.9435 174.7991 106 R 4.9531 8.6627 121.4744 54.7391 32.9669 174.8936 107 F 5.0690 9.2441 125.6630 56.6997 41.0017 174.7438 108 D 5.0397 8.8247 121.2229 51.2662 42.5500 177.0706 109 E 4.2777 8.8299 112.5841 58.0123 29.0680 177.3477 110 H 4.7138 9.1377 115.0708 55.3506 30.1021 174.3696 111 G 3.9229 8.7186 107.8644 45.8897 0.0000 173.5832 112 R 4.8145 7.9794 117.7369 53.8176 32.3782 175.5603 113 I 3.3007 8.3420 123.1106 61.7655 37.3926 176.4623 114 Q 4.2844 9.3897 129.3049 58.0377 30.7219 175.2882 115 T 5.0929 7.4446 111.6903 60.8685 71.3855 172.2670 116 M 5.3038 8.9563 126.4734 54.1197 36.3645 173.5771 117 Q 5.1474 9.4553 123.8276 54.0797 33.1698 173.8380 118 A 5.4294 8.9712 125.7373 50.3827 21.7227 175.1793 119 F 4.9967 9.3709 122.8655 55.8273 40.7582 175.3228 120 W 4.7921 8.2799 120.2711 57.0909 30.2025 173.7219 121 S 4.3866 8.3877 114.5329 57.6456 65.3801 174.6565 122 E 4.1252 8.9651 118.5168 59.9890 29.1565 179.7099 123 V 3.7652 7.4925 109.6200 63.3987 31.7405 176.2002 124 N 4.8434 8.4319 116.5015 52.8509 40.2092 174.2294 125 L 4.5108 8.1684 122.5640 54.4962 42.6014 176.4724 126 S 4.7556 9.4479 125.3670 57.0034 64.2123 175.4028 127 V 4.0145 8.2779 123.7300 61.6065 31.4161 175.8090 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 N 8.37 5.18 0.00 2.71 2.85 0.00 0.00 6.86 6.97 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 3 L 8.48 3.70 0.00 1.66 1.64 0.97 0.61 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 4 P 0.00 4.44 0.00 1.93 1.81 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 5 T 9.24 4.33 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 1.19 0.00 0.00 6 A 8.50 3.92 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 7 Q 8.04 3.95 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 8 E 7.77 3.93 0.00 2.21 1.83 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 2.25 2.25 0.00 9 V 7.77 3.17 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 1.07 0.00 0.00 0.80 0.00 0.00 10 Q 8.07 4.09 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 11 G 7.72 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.70 3.98 0.00 1.33 1.71 0.35 0.72 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 13 M 8.30 4.14 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.77 0.00 14 A 7.97 4.07 1.40 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 0.00 0.00 0.00 15 R 8.29 3.78 0.00 1.96 2.15 0.00 3.16 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 Y 8.23 4.04 0.00 3.13 3.18 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 0.00 0.00 0.00 17 I 7.70 3.48 1.96 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.64 0.84 0.00 0.00 18 E 7.95 3.86 0.00 2.29 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 2.29 2.38 0.00 19 L 7.94 3.83 0.00 1.66 1.55 0.87 1.05 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 20 V 7.41 3.39 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 0.78 0.00 0.00 0.27 0.00 0.00 21 D 8.18 4.42 0.00 2.81 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 22 V 7.67 3.99 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 0.81 0.00 0.00 0.99 0.00 0.00 23 G 7.95 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 24 D 7.70 4.54 0.00 2.68 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 25 I 7.97 3.64 1.87 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 1.65 0.69 0.94 0.00 0.00 26 E 8.14 3.94 0.00 2.00 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 2.40 2.38 0.00 27 A 7.97 4.01 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 28 I 7.66 3.68 1.71 0.00 0.00 0.61 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 0.90 0.14 0.00 0.00 29 V 7.94 3.74 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 1.04 0.00 0.00 0.98 0.00 0.00 30 Q 7.80 4.11 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.31 4.23 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 32 F 7.31 4.81 0.00 3.09 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 33 A 8.86 4.36 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 34 D 8.77 4.43 0.00 2.84 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 35 D 7.86 4.53 0.00 2.82 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 36 A 7.88 4.84 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 37 T 8.43 5.00 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 1.31 0.00 0.00 38 V 8.82 4.76 1.83 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 0.56 0.00 0.00 0.83 0.00 0.00 39 E 9.00 4.77 0.00 1.93 1.73 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 2.08 2.15 0.00 40 N 8.21 5.11 0.00 2.50 2.34 0.00 0.00 7.26 7.69 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 41 P 0.00 4.48 0.00 1.22 0.49 0.00 3.60 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 1.61 1.15 0.00 42 F 8.39 4.03 0.00 2.14 2.40 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 0.00 43 G 7.73 3.56 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 0.00 44 Q 7.18 4.14 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 45 P 0.00 4.26 0.00 2.14 1.96 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 46 P 0.00 4.68 0.00 2.04 2.01 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 47 I 8.66 4.46 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.08 0.74 0.00 0.00 48 H 8.72 5.13 0.00 3.06 3.15 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.26 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 0.00 0.00 0.00 50 R 8.30 3.89 0.00 1.91 2.02 0.00 3.17 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 51 E 8.10 3.92 0.00 2.04 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 2.39 2.42 0.00 52 Q 8.03 4.03 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 53 I 7.92 3.70 1.87 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.64 0.00 0.00 54 A 8.46 4.11 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 55 A 8.16 3.96 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 56 F 8.50 4.04 0.00 2.99 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 57 F 8.50 3.84 0.00 3.23 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 58 R 8.30 3.91 0.00 1.94 2.10 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 59 Q 7.92 4.12 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 60 G 7.63 3.42 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 61 L 7.50 4.37 0.00 1.71 1.60 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.21 4.05 0.00 1.82 1.77 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 66 V 8.08 5.23 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 1.14 0.00 0.00 0.90 0.00 0.00 67 R 8.76 4.99 0.00 2.02 1.98 0.00 2.97 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 68 A 9.17 5.59 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 69 C 8.38 4.72 0.00 3.00 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 70 L 8.91 4.61 0.00 1.71 1.89 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.61 4.47 4.28 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 1.34 0.00 0.00 72 G 7.36 4.04 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 0.00 0.00 0.00 73 P 0.00 4.44 0.00 2.20 2.09 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.06 4.07 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 0.84 0.00 0.00 0.97 0.00 0.00 75 R 8.73 4.48 0.00 2.02 1.82 0.00 3.23 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 76 A 8.48 5.17 1.14 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 77 S 8.56 4.77 0.00 3.84 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 78 H 8.81 4.86 0.00 3.17 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.81 4.94 0.00 2.77 2.88 0.00 0.00 6.91 6.87 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 80 G 8.40 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 81 C 7.97 5.46 0.00 2.88 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 82 G 8.78 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 9.09 5.60 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 84 M 9.25 5.24 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 85 P 0.00 5.44 0.00 2.17 2.25 0.00 3.87 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 2.17 1.99 0.00 86 F 8.87 5.40 0.00 3.36 3.18 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 0.00 0.00 0.00 87 R 8.95 4.98 0.00 1.91 1.83 0.00 3.06 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 88 V 8.83 4.82 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 0.98 0.00 0.00 1.10 0.00 0.00 89 E 9.13 5.22 0.00 1.94 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 0.00 2.24 2.24 0.00 90 M 8.49 5.14 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 91 V 8.22 4.81 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 0.87 0.00 0.00 0.95 0.00 0.00 92 W 9.55 4.54 0.00 3.32 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 93 N 10.20 4.15 0.00 2.19 2.62 0.00 0.00 7.23 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 94 G 8.15 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 0.00 0.00 0.00 95 Q 8.43 4.37 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 96 P 0.00 5.01 0.00 2.24 2.05 0.00 3.86 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 2.00 1.96 0.00 97 C 8.68 4.96 0.00 3.16 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 98 A 9.29 5.23 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 99 L 8.83 5.00 0.00 1.49 1.24 0.88 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.42 5.01 0.00 2.57 2.55 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 0.00 101 V 8.40 4.69 0.81 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 1.21 0.00 0.00 0.56 0.00 0.00 102 I 8.37 5.06 1.92 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 0.57 0.91 0.00 0.00 103 D 9.33 5.66 0.00 3.08 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 0.00 104 V 9.18 4.86 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 1.10 0.00 0.00 0.96 0.00 0.00 105 M 8.91 5.17 0.00 1.45 1.55 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 106 R 8.66 4.95 0.00 1.80 1.69 0.00 3.09 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 107 F 9.24 5.07 0.00 2.92 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 0.00 108 D 8.82 5.04 0.00 2.80 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 0.00 109 E 8.83 4.28 0.00 2.06 2.22 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 2.17 2.25 0.00 110 H 9.14 4.71 0.00 3.23 3.37 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.72 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 0.00 0.00 0.00 112 R 7.98 4.81 0.00 2.25 1.86 0.00 3.29 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 113 I 8.34 3.30 1.18 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.21 0.59 0.00 0.00 114 Q 9.39 4.28 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 115 T 7.44 5.09 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 1.20 0.00 0.00 116 M 8.96 5.30 0.00 2.22 1.87 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 117 Q 9.46 5.15 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 118 A 8.97 5.43 1.59 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 0.00 119 F 9.37 5.00 0.00 3.11 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 0.00 120 W 8.28 4.79 0.00 3.38 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 0.00 121 S 8.39 4.39 0.00 3.87 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 0.00 122 E 8.97 4.13 0.00 2.16 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 0.00 2.48 2.51 0.00 123 V 7.49 3.77 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 0.70 0.00 0.00 0.99 0.00 0.00 124 N 8.43 4.84 0.00 2.97 2.96 0.00 0.00 6.47 6.35 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 0.00 125 L 8.17 4.51 0.00 1.73 1.86 0.98 1.32 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 0.00 126 S 9.45 4.76 0.00 3.77 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 0.00 127 V 8.28 4.01 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 0.78 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.