NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2723 8.3449 119.6877 55.6778 30.1468 174.3378 3 R 4.1010 8.5192 121.9227 53.4564 30.7306 170.7621 4 V 4.3551 9.0780 124.0096 59.9459 34.2597 174.7726 5 T 4.3909 8.4454 121.3663 62.2387 69.4888 174.0613 6 I 4.4326 8.2048 126.7059 59.5645 39.7302 174.7209 7 T 4.4615 8.4014 118.9704 60.3358 68.2214 173.5939 8 L 4.8407 8.1884 128.3907 52.2787 45.2064 176.7696 9 D 4.6026 8.3753 122.0993 52.8994 41.7211 176.9977 10 D 4.4371 8.8247 123.8097 58.5820 40.8792 179.5385 11 D 4.4101 8.1363 120.6039 58.5530 39.6586 180.2101 12 L 4.1106 7.8327 121.9581 57.9481 42.0132 178.8796 13 L 4.0032 8.1542 122.6717 58.7150 41.9816 179.4301 14 E 3.9924 8.3189 118.4238 61.2050 29.5499 181.7661 15 T 3.9999 7.8884 116.6900 66.4884 68.5932 176.3216 16 L 3.8794 8.1308 122.5140 58.4060 42.0134 178.7276 17 D 4.3875 8.4977 121.2053 58.0906 40.9470 179.4006 18 S 4.1608 8.4798 119.2273 63.5753 62.4816 178.5648 19 L 4.2203 8.1322 123.0958 57.6196 41.2989 179.9085 20 S 4.1180 8.1607 115.0204 61.7470 62.8088 176.6036 21 Q 4.1147 8.3721 124.6221 59.8441 28.5622 179.0173 22 R 4.0469 7.7772 120.5470 61.2130 29.4540 180.0909 23 R 4.7065 7.7430 115.7344 55.8139 30.2322 177.5780 24 G 3.8897 7.9496 106.6744 45.7038 0.0000 173.4430 25 Y 4.2049 8.3894 118.3698 57.3676 38.4607 175.4373 26 N 4.7607 8.7725 121.5324 54.1111 39.6379 175.1607 27 N 5.1321 7.7350 115.1118 50.2553 41.8143 175.3728 28 R 4.0262 8.5628 121.0540 59.3496 30.1755 179.4845 29 S 4.1382 8.0864 113.7393 61.3912 62.9762 176.0659 30 E 3.9514 8.6520 122.8236 58.7928 29.4726 178.5168 31 A 3.3582 7.6813 119.3489 55.2603 18.4066 179.7065 32 I 3.6091 8.0828 118.6391 64.3932 37.0206 178.7107 33 R 3.8889 8.4118 120.0228 59.5026 29.9107 178.3229 34 D 4.3908 8.3649 118.8227 57.4000 40.7547 178.8322 35 I 3.6693 7.6430 120.2089 64.2229 37.0671 178.2196 36 L 3.9326 8.0307 121.1184 58.2006 41.8923 179.1958 37 R 3.8960 8.2441 118.2261 59.2675 30.0338 178.7509 38 S 4.0621 8.1944 112.6007 61.4841 62.3794 176.0564 39 A 3.9689 8.2965 123.4750 55.3613 18.2214 179.6886 40 L 3.9793 8.3965 117.6034 57.6027 41.3732 179.6228 41 A 4.0088 7.9798 120.3549 55.2541 18.6205 179.4294 42 Q 4.0843 8.0545 116.4871 59.0792 28.7241 178.6196 43 E 3.9244 8.1362 119.3762 59.6173 29.3824 179.4854 44 A 4.0030 7.8575 118.7080 55.1218 18.4192 179.3301 45 T 4.1127 7.8493 113.5250 65.2618 68.8386 175.1665 46 Q 4.6252 8.0505 120.1989 55.6082 29.3420 175.3010 47 Q 4.5481 7.7183 116.2851 54.1641 30.7039 175.6901 48 H 4.6087 8.4721 119.2202 57.1406 29.2787 175.7685 49 G 4.0673 9.6066 110.9659 45.3026 0.0000 173.9203 50 T 4.5992 7.3678 115.8538 61.7515 71.5318 173.8090 51 Q 4.8054 8.1051 123.2663 53.3571 30.8317 175.6953 52 G 3.8248 6.9534 104.2666 46.1116 0.0000 170.6653 53 F 5.2565 7.8682 117.4466 55.9778 43.1030 174.1541 54 A 5.0981 9.0361 119.6829 51.2575 23.2861 175.5072 55 V 4.7520 8.8807 119.6802 61.0133 34.4479 174.1113 56 L 5.2768 9.3480 131.0059 53.4104 44.3827 175.1005 57 S 5.2960 8.6599 121.2124 56.9861 66.3785 172.5355 58 Y 5.0527 7.8566 117.4148 56.5646 41.6628 172.7894 59 V 5.0857 8.8953 121.1323 61.4618 34.3703 174.0090 60 Y 5.5088 8.7427 126.6003 55.5015 42.3413 174.4606 61 E 5.0811 9.1751 118.9439 54.8008 30.4044 177.8738 62 H 4.6679 9.0824 122.1427 57.7338 29.4036 176.9654 63 E 4.0875 8.7615 122.1250 60.8127 30.6743 179.2484 64 K 5.0615 7.0192 111.3758 54.1773 34.4021 178.3316 65 R 4.3669 8.9691 117.3260 58.2877 28.9592 176.2516 66 D 4.7350 8.0211 115.7240 55.1613 37.7464 179.4797 67 L 3.9136 8.3605 123.8412 59.0853 41.7534 177.4861 68 A 3.9904 8.1958 120.0101 55.6515 18.2453 179.7088 69 S 4.1063 8.1379 113.1821 61.8089 62.8806 177.2659 70 R 3.9242 7.8611 120.2883 59.2872 29.9940 178.9682 71 I 3.6529 8.2368 119.9847 64.2288 36.9152 178.7505 72 V 3.7083 7.6798 118.7350 66.0102 31.3747 178.1981 73 S 4.1520 8.6876 115.2467 62.0572 62.4706 176.9201 74 T 3.9858 8.1789 117.4697 66.7679 68.4368 176.3535 75 Q 4.2923 8.2051 119.7547 59.5543 28.7848 178.8169 76 H 4.2265 8.9005 119.8871 59.6363 28.4552 178.0756 *77 H 4.2544 8.2946 120.3351 59.0365 27.8947 178.4793 78 H 5.1280 7.9613 117.3902 55.3624 29.3008 175.0938 79 H 4.0773 8.1859 116.4669 57.5145 28.3080 176.4672 80 D 4.2808 7.7260 119.0569 55.4079 39.8508 177.1337 81 L 4.4528 8.3648 119.4256 54.6746 42.2275 175.9801 82 S 4.6804 7.0904 112.6536 56.9935 63.1311 173.0864 83 V 4.1259 8.1983 128.4460 63.6165 31.4792 175.2929 84 A 4.5951 7.3422 118.9351 51.5186 22.6813 174.1406 85 T 4.9901 8.4729 115.4514 61.7204 71.6365 173.4052 86 L 4.5494 8.8256 129.0087 54.1207 43.9229 174.5775 87 H 5.2453 8.7641 125.0918 54.3030 32.8485 172.3765 88 V 4.2255 8.7071 125.4221 61.3690 34.2271 174.5780 89 H 4.7229 8.7910 125.6748 54.9308 27.5138 175.1469 90 I 3.8561 8.0323 125.8131 63.7178 37.3301 175.9112 91 N 4.8335 7.4348 113.2947 52.4022 39.1579 173.0643 92 H 4.2773 8.9661 113.8728 59.0151 28.9426 175.8042 93 D 4.8026 9.9030 119.4513 55.2447 42.8932 176.6366 94 D 5.0865 8.3762 116.9022 52.8347 43.8902 175.3890 95 C 4.8298 8.6633 119.0850 57.7606 31.6718 172.6609 96 L 4.7418 8.6830 126.4422 53.7385 43.3741 174.9304 97 E 5.0112 8.8725 125.7786 54.4801 33.4495 175.2837 98 I 4.7951 8.7074 123.2598 59.6741 40.8954 173.9529 99 A 4.9288 9.4634 130.7136 50.1906 21.3465 175.3687 100 V 4.7322 8.6975 123.1776 61.5336 33.3328 174.8858 101 L 5.4793 9.1578 127.5973 52.9944 45.6446 175.3713 102 K 4.4421 9.1610 118.8919 55.8502 36.3742 174.3784 103 G 3.8373 7.6267 106.5512 44.6810 0.0000 171.6072 104 D 5.1842 7.8911 122.1687 53.0901 43.3328 176.9530 *106 G 3.4326 8.6663 103.4814 45.9062 0.0000 174.8187 107 D 4.4180 8.1867 119.7977 57.0317 40.7440 178.8524 108 V 3.6150 8.0383 119.1151 66.0868 31.4675 177.6473 109 Q 3.9254 8.0064 118.5225 59.7767 29.0362 177.9759 110 H 4.2388 8.2170 117.1825 58.7400 28.8033 177.6496 111 F 3.9955 8.7156 122.6312 61.1018 39.1904 176.7556 112 A 3.8022 8.4155 120.8462 55.4993 18.0725 179.2694 113 D 4.1480 7.9261 117.0246 57.7412 40.6724 178.8480 114 D 4.1978 7.5358 117.7143 56.9898 40.6617 178.9094 115 V 3.4297 6.9764 118.2947 65.8174 31.4508 178.2933 116 I 3.5071 8.0536 118.3662 63.8718 36.8539 178.2034 117 A 4.0115 8.0999 121.4011 55.0369 18.8395 177.4350 118 Q 3.6334 6.9346 118.3769 55.0743 29.8633 178.4351 119 R 4.2586 8.1975 119.6966 57.1071 30.1244 176.3655 120 G 4.0497 9.0138 108.2208 45.0679 0.0000 173.2760 121 V 4.5123 6.9344 119.1781 61.5444 31.6892 175.0061 122 R 4.6043 8.7495 123.6278 55.0708 32.1570 175.3313 123 H 4.2943 8.9141 111.5935 56.5490 26.2383 175.4961 124 G 4.0127 8.0178 105.9344 47.3939 0.0000 173.1608 125 H 4.8605 9.2181 120.8858 54.8252 33.8994 171.9590 126 L 5.2306 8.3378 127.3051 53.3534 44.7187 175.4338 127 Q 4.4027 8.7834 125.7214 54.7236 31.8724 173.2726 128 C 4.6570 8.7291 124.5970 59.0256 29.6909 174.4044 129 L 4.7610 9.1705 124.1503 51.5942 41.6172 173.4039 130 P 4.7770 0.0000 0.0000 62.9066 32.5147 176.9203 131 K 4.3241 9.0951 126.0463 55.5986 31.2489 175.8284 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 Q 8.34 4.27 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 3 R 8.52 4.10 0.00 1.88 1.87 0.00 3.16 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 4 V 9.08 4.36 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 0.76 0.00 0.00 0.93 0.00 0.00 5 T 8.45 4.39 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 1.21 0.00 0.00 6 I 8.20 4.43 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.90 0.00 0.00 7 T 8.40 4.46 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 1.21 0.00 0.00 8 L 8.19 4.84 0.00 1.62 1.50 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.38 4.60 0.00 2.86 2.79 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 10 D 8.82 4.44 0.00 2.73 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 11 D 8.14 4.41 0.00 2.68 2.69 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 0.00 0.00 0.00 0.00 12 L 7.83 4.11 0.00 1.90 1.85 0.91 0.79 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 13 L 8.15 4.00 0.00 1.81 1.78 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.32 3.99 0.00 2.03 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 2.24 2.22 0.00 15 T 7.89 4.00 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 1.20 0.00 0.00 16 L 8.13 3.88 0.00 1.70 1.82 0.83 1.30 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 17 D 8.50 4.39 0.00 3.00 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 18 S 8.48 4.16 0.00 3.68 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 19 L 8.13 4.22 0.00 1.70 1.73 0.90 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 S 8.16 4.12 0.00 4.11 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 21 Q 8.37 4.11 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 22 R 7.78 4.05 0.00 1.99 1.84 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 23 R 7.74 4.71 0.00 2.14 2.17 0.00 3.39 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 24 G 7.95 3.89 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 0.00 0.00 0.00 25 Y 8.39 4.20 0.00 3.05 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 26 N 8.77 4.76 0.00 2.72 2.88 0.00 0.00 6.86 8.00 0.00 0.00 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 N 7.73 5.13 0.00 2.95 2.88 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 28 R 8.56 4.03 0.00 1.88 2.01 0.00 3.13 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 29 S 8.09 4.14 0.00 4.06 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 30 E 8.65 3.95 0.00 2.31 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 2.37 2.57 0.00 31 A 7.68 3.36 1.03 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 32 I 8.08 3.61 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 1.36 0.62 0.89 0.00 0.00 33 R 8.41 3.89 0.00 2.00 2.10 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 34 D 8.36 4.39 0.00 2.91 2.79 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 35 I 7.64 3.67 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.88 0.00 0.00 36 L 8.03 3.93 0.00 1.98 1.66 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.24 3.90 0.00 1.97 1.98 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 38 S 8.19 4.06 0.00 3.94 4.09 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 39 A 8.30 3.97 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 40 L 8.40 3.98 0.00 1.72 1.73 0.92 0.64 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 41 A 7.98 4.01 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 42 Q 8.05 4.08 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 43 E 8.14 3.92 0.00 2.13 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 2.33 2.48 0.00 44 A 7.86 4.00 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 45 T 7.85 4.11 4.43 0.00 0.00 0.00 0.00 0.00 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 46 Q 8.05 4.63 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 47 Q 7.72 4.55 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 48 H 8.47 4.61 0.00 3.16 3.24 0.00 5.66 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 49 G 9.61 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 50 T 7.37 4.60 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 1.21 0.00 0.00 51 Q 8.11 4.81 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 52 G 6.95 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 53 F 7.87 5.26 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 54 A 9.04 5.10 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 55 V 8.88 4.75 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 0.97 0.00 0.00 0.97 0.00 0.00 56 L 9.35 5.28 0.00 1.89 1.70 1.10 0.85 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 57 S 8.66 5.30 0.00 3.86 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 58 Y 7.86 5.05 0.00 3.16 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 59 V 8.90 5.09 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 1.06 0.00 0.00 0.98 0.00 0.00 60 Y 8.74 5.51 0.00 3.04 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 61 E 9.18 5.08 0.00 1.68 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 2.26 1.71 0.00 62 H 9.08 4.67 0.00 3.44 3.65 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.76 4.09 0.00 2.05 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 0.00 2.36 2.29 0.00 64 K 7.02 5.06 0.00 1.95 0.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.31 7.81 65 R 8.97 4.37 0.00 1.82 1.82 0.00 3.33 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 66 D 8.02 4.74 0.00 2.82 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 67 L 8.36 3.91 0.00 1.83 1.77 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.20 3.99 1.49 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 69 S 8.14 4.11 0.00 4.06 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 70 R 7.86 3.92 0.00 1.78 1.94 0.00 3.11 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 71 I 8.24 3.65 1.68 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.94 0.89 0.00 0.00 72 V 7.68 3.71 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 1.21 0.00 0.00 1.04 0.00 0.00 73 S 8.69 4.15 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 74 T 8.18 3.99 4.46 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 1.41 0.00 0.00 75 Q 8.21 4.29 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.90 0.00 76 H 8.90 4.23 0.00 3.41 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 H 8.29 4.25 0.00 3.00 3.00 0.00 7.14 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.96 5.13 0.00 2.78 3.12 0.00 5.80 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 79 H 8.19 4.08 0.00 3.24 3.65 0.00 5.26 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 80 D 7.73 4.28 0.00 2.70 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 81 L 8.36 4.45 0.00 1.52 1.48 0.75 0.38 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 82 S 7.09 4.68 0.00 3.76 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 83 V 8.20 4.13 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 0.89 0.00 0.00 1.13 0.00 0.00 84 A 7.34 4.60 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 85 T 8.47 4.99 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 1.29 0.00 0.00 86 L 8.83 4.55 0.00 1.76 1.50 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.76 5.25 0.00 3.17 3.05 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.71 4.23 1.99 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 0.93 0.00 0.00 0.88 0.00 0.00 89 H 8.79 4.72 0.00 3.18 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.03 3.86 1.99 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 1.31 0.40 0.89 0.00 0.00 91 N 7.43 4.83 0.00 2.76 2.78 0.00 0.00 6.03 7.90 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 92 H 8.97 4.28 0.00 3.19 3.42 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 9.90 4.80 0.00 2.52 2.69 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 0.00 0.00 0.00 0.00 94 D 8.38 5.09 0.00 2.56 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 95 C 8.66 4.83 0.00 1.42 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 0.00 0.00 0.00 96 L 8.68 4.74 0.00 1.63 1.57 0.87 0.59 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 97 E 8.87 5.01 0.00 1.16 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 2.14 2.68 0.00 98 I 8.71 4.80 1.82 0.00 0.00 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 1.08 0.61 0.90 0.00 0.00 99 A 9.46 4.93 1.41 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 0.00 100 V 8.70 4.73 2.25 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 1.21 0.00 0.00 0.97 0.00 0.00 101 L 9.16 5.48 0.00 1.59 1.55 1.10 0.63 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 0.00 102 K 9.16 4.44 0.00 0.88 0.98 0.00 1.19 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.16 1.17 7.81 103 G 7.63 3.84 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 0.00 104 D 7.89 5.18 0.00 2.68 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 *106 G 8.67 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.42 0.00 2.87 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 0.00 108 V 8.04 3.62 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 1.09 0.00 0.00 0.93 0.00 0.00 109 Q 8.01 3.93 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 110 H 8.22 4.24 0.00 3.40 3.35 0.00 5.67 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 0.00 111 F 8.72 4.00 0.00 2.97 3.23 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 0.00 112 A 8.42 3.80 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 0.00 113 D 7.93 4.15 0.00 2.86 2.68 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 0.00 114 D 7.54 4.20 0.00 2.54 2.57 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 0.00 115 V 6.98 3.43 1.74 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 0.36 0.00 0.00 0.08 0.00 0.00 116 I 8.05 3.51 1.79 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.89 0.00 0.00 117 A 8.10 4.01 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 0.00 118 Q 6.93 3.63 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 119 R 8.20 4.26 0.00 1.83 1.71 0.00 3.25 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 120 G 9.01 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 0.00 121 V 6.93 4.51 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 0.77 0.00 0.00 0.82 0.00 0.00 122 R 8.75 4.60 0.00 1.79 1.95 0.00 2.78 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 123 H 8.91 4.29 0.00 3.40 3.44 0.00 5.71 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 0.00 124 G 8.02 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 0.00 0.00 0.00 125 H 9.22 4.86 0.00 3.25 3.15 0.00 5.54 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.34 5.23 0.00 1.65 1.45 1.04 0.67 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 0.00 127 Q 8.78 4.40 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 128 C 8.73 4.66 0.00 2.90 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 0.00 129 L 9.17 4.76 0.00 1.73 1.62 0.96 0.92 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 0.00 130 P 0.00 4.78 0.00 1.95 2.00 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 131 K 9.10 4.32 0.00 1.49 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.