NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5493 8.2644 122.4709 52.1987 19.8638 175.8279 2 T 4.2991 8.6700 118.3054 60.9443 69.2079 172.0283 3 K 5.3821 8.9057 127.0450 54.9571 37.3257 174.2891 4 A 5.3731 8.9446 122.9622 51.0368 23.4233 175.2917 5 V 4.9968 8.8245 117.5193 60.8456 35.5135 173.5240 6 C 4.9672 9.0662 121.7329 58.0886 35.5799 172.5448 7 V 4.6128 8.4921 126.0021 61.4585 33.3271 174.0374 8 L 5.0085 8.9997 128.8924 53.6013 43.3952 175.9954 9 K 5.0002 9.0632 121.8754 55.6585 37.1912 176.1941 10 G 4.0664 7.9247 108.0946 45.7876 0.0000 172.1819 11 D 4.5424 8.8082 118.0388 55.6119 41.8542 176.9354 12 G 4.2908 7.6583 109.1107 44.2510 0.0000 171.8651 13 P 4.5443 0.0000 0.0000 62.8061 31.9826 175.9403 14 V 4.1772 7.5409 120.6000 63.1372 32.0074 175.0115 15 Q 5.1226 8.0148 124.8083 55.2865 32.5623 173.5847 16 G 4.3836 7.7686 106.1707 46.6399 0.0000 171.7008 17 I 5.1491 7.7522 119.6170 59.3441 40.7589 174.9295 18 I 4.4995 8.7725 127.5438 59.4825 40.1798 174.4048 19 N 5.0176 8.5019 124.5349 51.4030 41.2462 173.9473 20 F 5.3535 8.8246 119.7125 55.8404 43.4031 173.7600 21 E 5.2780 9.6203 122.7029 54.8267 33.6457 173.6891 22 Q 4.9124 9.3712 127.9152 54.1862 30.9942 175.6501 23 K 4.0634 8.9818 128.8917 58.6001 32.9016 176.7970 24 E 4.8179 7.7925 116.4495 53.6636 33.2899 174.9830 25 S 4.2621 8.6432 116.0329 60.0196 63.2504 173.6353 26 N 4.0890 8.9216 120.0412 54.2272 37.3622 173.8517 27 G 4.0277 7.8769 106.2470 43.3225 0.0000 171.8333 28 P 4.5939 0.0000 0.0000 63.1352 32.0481 175.9107 29 V 4.6695 9.2361 122.6870 61.2589 33.8260 174.6726 30 K 4.8592 9.3437 128.3891 56.0145 33.7529 176.0511 31 V 4.7880 9.3227 124.8249 60.8466 34.1222 174.2446 32 W 5.5778 8.8441 124.4459 54.8059 32.0398 175.6955 33 G 3.7622 7.2494 107.0017 45.9546 0.0000 171.3251 34 S 5.1316 7.6615 114.2517 56.8389 67.2245 173.4281 35 I 4.8800 8.6998 121.8470 59.4968 40.7205 174.8631 36 K 4.7409 9.3428 126.0900 55.6258 35.9515 177.0166 37 G 3.7172 8.8594 106.6482 45.6740 0.0000 173.3029 38 L 4.5625 7.5270 119.6734 52.6968 43.3804 176.4686 39 T 4.2605 8.1458 111.1877 61.0550 69.5206 174.0172 40 E 4.0982 8.6257 124.3165 57.4836 30.3956 175.2473 41 G 3.7354 8.4035 110.6549 43.8674 0.0000 172.4092 42 L 4.8105 8.1600 118.9450 54.8198 42.8382 176.6902 43 H 5.0139 9.1693 119.2347 53.7771 33.0785 173.3342 44 G 4.0507 9.1981 111.2331 46.9166 0.0000 172.4043 45 F 5.4515 9.1295 124.6139 57.0078 42.4260 172.9996 46 H 5.0790 8.9928 122.5690 54.1576 33.9328 172.6692 47 V 4.4482 8.5503 121.2769 62.3257 32.8717 175.0026 48 H 5.0152 9.3459 125.5748 54.5370 30.5231 175.9899 49 E 3.5381 8.8530 122.5877 58.7882 29.8509 177.2354 50 F 4.9376 8.0644 118.3827 55.7675 41.0803 176.4031 51 G 4.4162 8.4740 114.2320 44.6419 0.0000 174.2405 52 D 4.7762 7.9770 118.4845 52.7714 42.1798 174.5559 53 N 5.1996 8.4831 124.3791 53.1694 39.1869 176.5785 54 T 3.9734 8.4318 111.7618 63.8288 69.2638 174.5277 55 A 4.6838 8.0740 125.8764 51.4634 20.0413 176.9049 56 G 3.7625 8.0864 109.6712 48.0062 0.0000 176.8504 57 C 4.3675 8.6229 115.6120 59.9559 38.4780 175.7356 58 T 3.8184 7.6114 116.8006 65.9911 67.7279 175.5695 59 S 4.6534 7.4798 113.1553 58.6099 63.6597 175.4036 60 A 4.6033 7.4697 126.1622 54.0165 18.3075 179.0099 61 G 4.2951 7.8427 105.9519 44.0634 0.0000 170.8849 62 P 4.7165 0.0000 0.0000 62.0480 33.6728 175.2150 63 H 4.3578 8.4097 116.4380 55.5616 29.5830 175.6070 64 F 4.2492 8.9139 124.7540 58.4065 39.7151 174.8776 65 N 5.0148 8.0819 125.8004 51.6088 38.8577 172.8995 66 P 3.9358 0.0000 0.0000 64.6441 32.2569 178.2200 67 L 4.1640 7.0480 117.7336 54.8433 42.1255 177.4504 68 S 3.9725 7.9633 112.3850 59.2121 60.4279 170.3931 69 R 4.2157 7.7981 118.5561 55.7118 30.3422 176.2051 70 K 4.4118 8.4016 119.2350 55.7716 34.0579 176.1699 71 H 4.0492 8.7753 121.8143 56.9672 30.9862 174.7666 72 G 4.3102 7.4119 109.3864 46.4086 0.0000 172.2989 73 G 4.1758 9.0525 109.7428 43.1179 0.0000 173.3164 74 P 4.3322 0.0000 0.0000 65.4554 31.2545 177.4693 75 K 4.3518 7.9166 115.3348 56.3216 32.2747 176.2048 76 D 4.6748 7.5725 119.6320 53.2174 41.3162 175.9394 77 E 3.7850 8.4603 121.7684 59.9681 29.7623 177.2106 78 E 4.1016 7.9365 123.9869 56.1665 29.5610 175.9558 79 R 4.5657 7.7298 120.4154 56.3407 32.1986 174.1226 80 H 4.5925 9.6189 116.8946 55.0919 29.5908 176.8543 81 V 3.4894 8.2337 122.2538 66.1865 31.6774 177.0135 82 G 3.9198 8.3344 105.4919 46.9088 0.0000 173.4496 83 D 4.9411 8.1040 121.3131 53.6689 40.3828 175.7063 84 L 4.5434 8.3710 122.6807 53.3150 42.5560 178.8020 85 G 3.9759 8.4509 108.2871 46.7985 0.0000 173.6330 86 N 5.6074 8.7145 120.7485 51.4776 41.8608 173.9626 87 V 4.3185 8.5472 114.8915 60.0925 35.0839 174.9017 88 T 5.0099 8.1669 118.1562 61.8448 71.3586 173.0643 89 A 4.7537 9.1422 129.6245 50.9786 20.8713 177.3177 90 D 4.9044 8.6899 122.0895 51.9971 41.4882 177.1145 91 K 4.1536 8.5315 117.1437 59.6919 32.5466 177.1193 92 D 4.5856 8.3167 118.4185 53.9301 41.0078 177.2113 93 G 4.2963 8.4062 108.0610 44.5458 0.0000 172.8149 94 V 4.7234 7.7745 119.6845 60.8913 33.8819 174.1614 95 A 5.2279 9.0837 130.2407 49.7258 20.7419 175.1760 96 D 4.9351 8.6215 122.9517 53.9963 42.1224 176.3499 97 V 4.1962 8.8470 124.7599 61.3687 33.6321 174.8729 98 S 4.7064 8.4688 122.3453 57.4065 64.6644 172.7988 99 I 4.8883 9.1938 127.8993 59.6577 41.8509 174.3027 100 E 5.2462 8.8314 123.4458 54.7536 32.5962 174.7530 101 D 4.9198 9.2796 123.1837 52.6602 44.9897 175.7809 102 S 4.8486 8.9156 118.7049 58.4304 64.0301 174.7211 103 V 4.0976 8.0304 120.7877 64.2897 32.3314 176.4413 104 I 4.0884 7.9118 111.6419 61.0043 38.2427 174.5444 105 S 4.6628 8.3561 114.2662 57.5251 65.5349 173.9481 106 L 4.7600 8.9318 121.9475 53.9469 41.4524 176.4176 107 S 4.3787 7.9850 111.8499 58.5782 65.9800 175.1711 108 G 3.8767 8.4658 108.8041 44.6684 0.0000 173.8051 109 D 4.4737 8.5646 117.0709 57.0803 40.6291 177.2212 110 H 4.9908 8.1410 114.8927 55.3755 29.0593 173.8945 111 C 4.3921 8.0518 121.2948 59.8875 31.7506 173.5508 112 I 3.9333 8.3788 119.5507 60.8434 38.1958 175.8957 113 T 4.0151 7.4070 112.0589 62.9654 69.3648 174.8225 114 G 3.8162 9.3547 112.4571 45.5031 0.0000 172.9414 115 R 5.0260 7.4289 119.0558 54.6797 33.9482 174.3913 116 T 4.9476 8.0298 115.2684 62.1187 71.4647 173.5415 117 L 4.7801 8.6103 128.6011 54.0712 44.0625 175.3954 118 V 4.9746 8.7689 125.5847 61.0305 35.2070 174.1771 119 V 5.1225 8.6325 126.8692 60.4929 33.8326 174.7435 120 H 5.2383 8.8684 120.8324 54.0366 30.8926 174.6098 121 E 4.1890 9.1777 121.3910 59.0533 30.0272 176.2699 122 K 4.8302 8.4814 117.1594 53.8389 36.2913 175.5679 123 A 4.4326 8.3519 123.0942 52.2835 18.8908 176.1940 124 D 4.9787 9.5818 122.5842 53.7973 42.0867 176.1064 125 D 4.5892 9.1059 125.2865 53.0946 40.1230 176.8509 126 L 3.6980 9.6917 119.5536 56.1028 39.6135 175.8843 127 G 4.1231 8.8273 104.3227 46.6701 0.0000 174.8743 128 K 4.4768 7.8107 116.1154 55.9364 32.2434 177.5331 129 G 3.6846 8.2091 108.3942 45.9220 0.0000 174.3260 130 G 3.8782 8.4805 107.5915 46.0516 0.0000 172.9301 131 N 5.0281 7.8822 114.0983 50.7113 40.2866 173.9174 132 E 4.1068 8.9899 118.2308 59.9301 29.9642 179.7324 133 E 3.9567 8.2924 117.7045 59.4088 29.3441 178.8688 134 S 4.1238 8.5401 113.5201 61.7692 62.4031 175.9109 135 T 4.2237 7.7399 109.5841 62.8340 68.5544 175.6698 136 K 4.2516 7.6879 119.8969 58.1627 33.7169 177.4387 137 T 4.2229 8.3805 106.9074 60.4219 70.4789 175.1358 138 G 3.8331 7.7505 109.3741 44.8291 0.0000 173.0182 139 N 4.2439 7.5343 114.3580 54.2230 36.6672 174.6993 140 A 4.5355 7.4980 117.5651 51.0434 19.6300 179.8046 141 G 3.7757 7.8981 104.9337 45.3846 0.0000 173.8563 142 S 4.3944 8.7553 115.8775 58.7350 64.4672 174.3084 143 R 4.3174 8.3772 121.2120 55.5016 29.7794 176.5092 144 L 4.3186 8.8678 125.8303 57.3785 43.0994 177.1485 145 A 5.0344 7.7555 117.8336 51.3674 22.7475 174.0629 146 C 5.5322 8.7438 113.9426 55.7329 46.9705 172.7512 147 G 4.8423 8.1237 104.0045 46.0214 0.0000 172.5121 148 V 4.4385 8.2547 121.4373 62.3052 32.8179 175.4845 149 I 4.1666 8.7053 129.3982 60.8559 38.0636 175.2949 150 G 4.4079 9.0212 114.6308 43.8851 0.0000 172.2502 151 I 4.2437 8.3207 121.8101 61.1716 37.5353 175.5135 152 A 4.8127 8.4617 128.3430 49.6867 22.1133 176.1744 153 Q 4.0703 8.4959 118.7273 56.4432 29.2229 175.9275 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 A 8.26 4.55 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 2 T 8.67 4.30 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 1.32 0.00 0.00 3 K 8.91 5.38 0.00 1.91 1.70 0.00 1.78 0.00 0.00 1.99 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.49 7.81 4 A 8.94 5.37 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 0.00 0.00 0.00 0.00 0.00 5 V 8.82 5.00 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 0.78 0.00 0.00 0.93 0.00 0.00 6 C 9.07 4.97 0.00 3.13 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 7 V 8.49 4.61 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 9.00 5.01 0.00 1.66 1.59 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.06 5.00 0.00 1.65 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.92 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 0.00 0.00 0.00 11 D 8.81 4.54 0.00 2.68 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 12 G 7.66 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 0.00 0.00 0.00 0.00 13 P 0.00 4.54 0.00 2.18 2.15 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 14 V 7.54 4.18 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 0.79 0.00 0.00 0.92 0.00 0.00 15 Q 8.01 5.12 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 16 G 7.77 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 0.00 0.00 0.00 17 I 7.75 5.15 1.82 0.00 0.00 0.84 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 1.21 0.83 0.00 0.00 18 I 8.77 4.50 1.85 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 1.26 1.37 0.46 0.00 0.00 19 N 8.50 5.02 0.00 1.44 1.53 0.00 0.00 6.40 7.09 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 20 F 8.82 5.35 0.00 2.83 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 21 E 9.62 5.28 0.00 2.46 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 2.32 2.39 0.00 22 Q 9.37 4.91 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 23 K 8.98 4.06 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.48 7.81 24 E 7.79 4.82 0.00 1.99 1.78 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 2.30 2.21 0.00 25 S 8.64 4.26 0.00 3.98 3.90 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 26 N 8.92 4.09 0.00 2.86 2.92 0.00 0.00 7.04 7.98 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 27 G 7.88 4.03 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 0.00 0.00 0.00 28 P 0.00 4.59 0.00 2.13 2.11 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 9.24 4.67 2.23 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 1.28 0.00 0.00 1.02 0.00 0.00 30 K 9.34 4.86 0.00 1.98 1.87 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.44 7.81 31 V 9.32 4.79 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 0.88 0.00 0.00 1.08 0.00 0.00 32 W 8.84 5.58 0.00 3.47 3.16 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 0.00 0.00 0.00 0.00 33 G 7.25 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 0.00 0.00 0.00 34 S 7.66 5.13 0.00 3.77 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 35 I 8.70 4.88 1.79 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 1.27 0.75 0.94 0.00 0.00 36 K 9.34 4.74 0.00 1.74 1.88 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.34 7.81 37 G 8.86 3.72 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 0.00 0.00 0.00 38 L 7.53 4.56 0.00 1.79 1.38 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.15 4.26 4.27 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 1.24 0.00 0.00 40 E 8.63 4.10 0.00 1.95 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 2.30 2.45 0.00 41 G 8.40 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 L 8.16 4.81 0.00 1.48 1.57 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.17 5.01 0.00 3.01 3.30 0.00 5.63 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 44 G 9.20 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 45 F 9.13 5.45 0.00 2.98 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 46 H 8.99 5.08 0.00 3.08 3.01 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.55 4.45 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 0.81 0.00 0.00 0.87 0.00 0.00 48 H 9.35 5.02 0.00 3.03 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.85 3.54 0.00 1.65 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 1.47 1.87 0.00 50 F 8.06 4.94 0.00 3.15 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 G 8.47 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 0.00 0.00 0.00 0.00 52 D 7.98 4.78 0.00 2.63 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 53 N 8.48 5.20 0.00 2.70 2.77 0.00 0.00 7.19 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 54 T 8.43 3.97 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 1.22 0.00 0.00 55 A 8.07 4.68 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 56 G 8.09 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 0.00 0.00 0.00 57 C 8.62 4.37 0.00 2.96 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 58 T 7.61 3.82 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 1.23 0.00 0.00 59 S 7.48 4.65 0.00 4.11 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 60 A 7.47 4.60 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 61 G 7.84 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 62 P 0.00 4.72 0.00 2.07 2.22 0.00 3.77 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 2.03 2.03 0.00 63 H 8.41 4.36 0.00 2.78 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.91 4.25 0.00 2.98 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 65 N 8.08 5.01 0.00 2.60 2.47 0.00 0.00 6.92 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 66 P 0.00 3.94 0.00 2.04 1.93 0.00 3.19 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.12 0.00 67 L 7.05 4.16 0.00 1.40 1.71 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.96 3.97 0.00 4.05 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 69 R 7.80 4.22 0.00 1.91 1.83 0.00 3.18 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 70 K 8.40 4.41 0.00 1.87 1.70 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 71 H 8.78 4.05 0.00 3.37 3.20 0.00 5.81 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 72 G 7.41 4.31 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 0.00 73 G 9.05 4.18 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 0.00 0.00 0.00 74 P 0.00 4.33 0.00 2.23 2.26 0.00 3.79 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 2.03 2.13 0.00 75 K 7.92 4.35 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 76 D 7.57 4.67 0.00 2.84 2.64 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 77 E 8.46 3.78 0.00 1.94 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 2.32 2.31 0.00 78 E 7.94 4.10 0.00 1.98 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 2.33 2.25 0.00 79 R 7.73 4.57 0.00 1.84 1.79 0.00 2.86 0.00 0.00 2.65 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 80 H 9.62 4.59 0.00 3.47 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.23 3.49 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 0.72 0.00 0.00 0.40 0.00 0.00 82 G 8.33 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 83 D 8.10 4.94 0.00 2.66 2.80 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 0.00 0.00 0.00 84 L 8.37 4.54 0.00 1.74 1.87 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.45 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 86 N 8.71 5.61 0.00 2.59 2.71 0.00 0.00 6.65 7.68 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 87 V 8.55 4.32 1.81 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 -0.24 0.00 0.00 0.76 0.00 0.00 88 T 8.17 5.01 4.22 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 1.20 0.00 0.00 89 A 9.14 4.75 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 90 D 8.69 4.90 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.15 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.32 4.59 0.00 2.84 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 93 G 8.41 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 94 V 7.77 4.72 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 1.05 0.00 0.00 0.98 0.00 0.00 95 A 9.08 5.23 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.62 4.94 0.00 2.56 2.62 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 97 V 8.85 4.20 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 0.84 0.00 0.00 0.58 0.00 0.00 98 S 8.47 4.71 0.00 3.89 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 99 I 9.19 4.89 2.09 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 1.03 0.00 0.00 100 E 8.83 5.25 0.00 1.83 1.86 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 2.25 2.30 0.00 101 D 9.28 4.92 0.00 2.84 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 0.00 102 S 8.92 4.85 0.00 3.89 3.86 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 0.00 103 V 8.03 4.10 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 0.85 0.00 0.00 0.95 0.00 0.00 104 I 7.91 4.09 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 1.04 0.00 0.00 105 S 8.36 4.66 0.00 3.87 3.85 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 0.00 106 L 8.93 4.76 0.00 1.76 1.62 1.03 0.58 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 0.00 107 S 7.98 4.38 0.00 3.92 3.80 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 0.00 0.00 0.00 108 G 8.47 3.88 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 0.00 0.00 0.00 109 D 8.56 4.47 0.00 2.72 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 0.00 110 H 8.14 4.99 0.00 3.21 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.05 4.39 0.00 3.05 2.89 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 0.00 112 I 8.38 3.93 1.64 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.17 0.99 0.00 0.00 113 T 7.41 4.02 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 1.07 0.00 0.00 114 G 9.35 3.82 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 0.00 0.00 0.00 115 R 7.43 5.03 0.00 1.60 1.79 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.00 116 T 8.03 4.95 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 1.24 0.00 0.00 117 L 8.61 4.78 0.00 1.78 1.53 0.42 0.71 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 0.00 118 V 8.77 4.97 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 0.74 0.00 0.00 0.78 0.00 0.00 119 V 8.63 5.12 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 0.82 0.00 0.00 1.02 0.00 0.00 120 H 8.87 5.24 0.00 3.29 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.18 4.19 0.00 2.10 2.23 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 2.37 2.34 0.00 122 K 8.48 4.83 0.00 1.79 1.69 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 123 A 8.35 4.43 1.25 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 0.00 0.00 0.00 124 D 9.58 4.98 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.11 4.59 0.00 2.96 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 0.00 126 L 9.69 3.70 0.00 1.87 1.78 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.83 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.81 4.48 0.00 1.76 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.50 7.81 129 G 8.21 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 0.00 130 G 8.48 3.88 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 0.00 0.00 0.00 131 N 7.88 5.03 0.00 2.76 2.75 0.00 0.00 6.28 7.66 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 0.00 132 E 8.99 4.11 0.00 2.05 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 2.40 2.35 0.00 133 E 8.29 3.96 0.00 1.97 2.13 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 2.39 2.31 0.00 134 S 8.54 4.12 0.00 3.98 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 T 7.74 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 1.27 0.00 0.00 136 K 7.69 4.25 0.00 1.96 1.82 0.00 1.68 0.00 0.00 1.90 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.45 7.81 137 T 8.38 4.22 4.17 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 1.23 0.00 0.00 138 G 7.75 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 0.00 0.00 0.00 139 N 7.53 4.24 0.00 2.85 2.91 0.00 0.00 6.83 7.19 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 0.00 140 A 7.50 4.54 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 0.00 141 G 7.90 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 0.00 0.00 0.00 142 S 8.76 4.39 0.00 3.81 3.82 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 0.00 143 R 8.38 4.32 0.00 1.65 1.79 0.00 3.19 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 144 L 8.87 4.32 0.00 1.61 1.70 0.98 0.53 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 0.00 145 A 7.76 5.03 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 0.00 146 C 8.74 5.53 0.00 3.01 3.12 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 0.00 0.00 0.00 147 G 8.12 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 4.44 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 0.80 0.00 0.00 0.94 0.00 0.00 149 I 8.71 4.17 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.40 0.40 0.00 0.00 150 G 9.02 4.41 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 0.00 0.00 0.00 151 I 8.32 4.24 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.91 0.00 0.00 152 A 8.46 4.81 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 0.00 153 Q 8.50 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00