NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 4.0010 8.3393 109.7367 44.7147 0.0000 173.9948 -2 S 4.7913 7.2080 111.7675 56.3712 66.3497 172.3684 -1 N 4.6535 9.7244 123.2685 53.5620 40.0120 176.5869 -2 M 4.8013 7.1780 115.6675 53.4712 35.4497 174.0684 -1 K 4.2335 9.6144 124.9685 56.6620 34.2120 177.9869 3 A 5.2028 9.1737 124.0812 50.7677 23.2993 175.3420 4 V 5.0475 9.0369 118.0231 60.4945 35.7630 174.2259 5 C 4.9879 9.2280 122.6786 58.2437 34.9353 172.6817 6 V 4.5033 8.5384 127.1061 62.1167 32.9595 174.1173 7 M 5.1561 9.3177 128.6949 53.9896 34.3090 175.3490 8 T 4.8025 8.5203 113.2730 60.3054 73.1456 172.5605 9 G 4.3431 7.6625 106.9550 46.4552 0.0000 173.1161 10 T 4.6663 8.6206 105.5862 61.7166 68.9747 173.9740 11 A 4.5201 8.0575 120.5460 52.4577 20.4449 177.5428 12 G 3.9136 8.4292 104.8512 45.2837 0.0000 173.0276 13 V 4.6215 7.3859 119.0677 60.8242 33.3169 174.5738 14 K 4.8985 8.2097 124.6631 55.6773 36.8623 174.6841 15 G 3.7957 8.0523 107.1493 46.2555 0.0000 172.1254 16 V 4.8756 7.4325 118.8562 60.8315 35.0686 174.3041 17 V 4.7539 8.9099 126.6423 60.9373 34.8406 174.2505 18 K 5.0277 8.8629 125.8654 54.6082 35.9785 175.1893 19 F 5.6937 9.3882 122.3536 56.0192 43.1440 174.2392 20 T 5.9465 8.8096 110.9346 60.3849 72.3757 172.5679 21 Q 4.5468 8.4829 125.0564 54.4409 31.0973 174.1909 22 E 4.0580 9.2492 128.3236 58.7540 30.0793 176.4627 23 T 4.7097 7.4456 106.7819 59.0813 72.0061 173.8477 24 D 4.3538 8.8871 121.8936 57.1985 40.8923 177.2564 25 N 4.8701 7.9998 111.4178 52.2093 37.8186 174.2791 26 G 4.1117 7.7525 108.2058 43.8984 0.0000 171.5875 27 P 4.6751 0.0000 0.0000 62.8347 32.3324 175.8219 28 V 4.6666 9.0989 120.8742 61.5511 34.4348 174.0139 29 H 5.1582 9.2470 125.5789 55.1444 30.3421 174.3333 30 V 4.8266 9.3150 123.4304 61.3523 34.6454 173.8396 31 H 5.4147 8.9911 126.4271 54.7154 33.0588 171.7585 32 A 5.0442 9.2502 127.0970 50.1155 22.9991 174.3240 33 E 4.9992 8.2426 117.9915 54.6627 33.8128 175.0186 34 F 5.4807 9.4397 121.9114 55.9304 43.9239 173.8377 35 S 4.8206 8.8981 114.0858 57.9146 66.5385 174.9458 36 G 4.0695 8.9542 108.7191 46.8502 0.0000 173.3434 37 L 4.4006 8.0279 119.9133 53.1235 42.9379 176.2873 38 K 4.4157 8.3206 120.4318 55.3729 32.9462 176.9959 39 A 4.1152 8.5511 125.2734 53.6389 18.7785 176.0866 40 G 3.7137 8.1086 106.7222 43.7760 0.0000 172.7426 41 K 4.9277 8.1780 118.1725 55.8344 33.7211 176.5823 42 H 5.0218 8.9977 119.6705 53.6849 32.9945 173.2690 43 G 4.0973 9.0383 110.8197 47.0677 0.0000 172.3601 44 F 5.3587 9.0371 125.1627 56.9898 42.3421 172.9558 45 H 5.0296 8.8691 122.3975 54.3873 34.1352 172.6940 46 V 4.6095 8.4400 113.4190 60.6222 33.0745 175.7800 47 H 5.1284 9.4646 123.4279 54.2682 30.4957 176.0733 48 E 3.8401 9.0513 119.4933 58.8410 29.7674 177.3031 49 F 5.1223 7.9452 118.0665 54.9443 41.2417 176.3102 50 G 4.5080 8.6109 110.4482 44.8063 0.0000 173.0295 51 D 4.8421 8.2293 120.0859 52.5729 42.1816 175.5378 52 T 4.9565 8.5387 116.6287 60.5549 69.3018 175.3697 53 T 3.9755 8.7048 115.5726 64.6713 69.1716 173.9731 54 N 4.9486 7.8911 120.2668 51.8168 39.4902 173.7646 55 G 4.0327 7.6482 115.3692 47.2684 0.0000 174.2396 56 C 4.8594 8.5032 119.7904 56.9073 35.7384 175.6642 57 T 3.8476 7.7307 118.0922 66.6479 68.0639 176.2073 58 S 4.4507 8.0363 112.4122 59.4012 63.2641 174.6651 59 A 4.3885 8.0439 124.9741 53.2269 18.8759 178.8376 60 G 3.8554 7.8655 103.0161 44.9335 0.0000 171.8204 61 A 4.4801 8.1628 122.1062 50.8403 21.6085 176.8652 62 H 4.5313 8.3293 114.4871 55.7160 29.8050 175.8145 63 F 4.2605 9.0564 125.6557 58.1806 40.2016 174.8227 64 N 4.9472 7.9102 125.7910 51.5071 38.6679 173.1057 65 P 4.1119 0.0000 0.0000 65.2904 32.1020 177.9376 66 T 4.1725 7.5952 107.0811 60.5010 69.3458 174.3762 67 K 3.6747 7.3172 120.5359 58.0604 30.0948 173.7393 68 Q 4.5320 8.0695 116.0405 54.2285 31.1182 175.3951 69 E 4.4967 8.1209 118.2015 55.5272 31.6249 175.6963 70 H 4.0270 8.5618 121.8565 56.8035 30.4648 174.8110 71 G 4.1308 8.2437 109.9439 45.4721 0.0000 171.6252 72 A 4.6843 9.5767 123.0685 50.0839 20.3066 176.9164 73 P 4.3191 0.0000 0.0000 65.8451 31.4648 178.3039 74 E 4.1344 8.0531 115.7742 58.5039 29.7513 177.0196 75 D 4.6327 7.6206 118.3446 54.0655 41.5301 176.6218 76 S 4.1935 8.5329 117.2727 60.7241 63.3153 174.5897 77 I 4.1836 7.4454 122.1160 60.1906 36.3509 174.5502 78 R 4.7404 7.6214 119.3096 55.9386 32.0057 174.4115 79 H 4.5365 9.2082 116.8735 55.0890 29.4971 176.9712 80 V 3.5188 8.4967 123.5405 66.4195 31.3448 176.9989 81 G 3.9092 8.0834 104.1779 47.0884 0.0000 173.1449 82 D 4.9039 8.4097 122.0749 53.9945 40.9010 176.0284 83 L 4.6035 8.2970 123.1132 53.2537 42.7980 178.7227 84 G 4.0528 8.4507 108.3803 46.7531 0.0000 173.6680 85 N 5.6113 8.8714 120.8665 51.3138 41.8671 173.4458 86 V 4.4493 8.7329 122.9081 61.5498 33.6427 174.5301 87 V 4.7870 8.5213 127.3484 61.3688 32.9499 174.3661 88 A 4.8677 9.0123 130.5626 50.4325 21.5376 177.1842 89 G 4.0782 8.6705 110.8456 43.9866 0.0000 174.3417 90 A 3.9790 8.5183 121.3873 55.0271 18.2393 178.3954 91 D 4.4395 8.0293 112.9699 54.0318 40.1419 177.3376 92 G 4.4087 8.5015 109.3711 45.5798 0.0000 172.6065 93 N 5.4687 8.8249 117.2434 51.9749 41.3297 173.9627 94 A 4.9982 8.9817 121.9824 50.6669 23.2481 175.3202 95 V 4.8194 8.4901 120.6834 61.1715 34.3202 174.0153 96 Y 4.8113 9.2088 128.8468 55.8890 41.6997 173.8203 97 N 5.5909 7.8841 122.2281 51.7020 42.6634 173.3108 98 A 4.3686 8.3102 121.7810 51.7145 23.6200 175.1567 99 T 4.9741 8.5902 115.6343 61.8371 71.3044 173.1803 100 D 5.0970 9.2691 126.3128 52.5889 43.9783 176.5465 101 K 4.5123 8.8992 122.5838 56.6788 33.3305 177.2804 102 L 4.4049 8.0840 118.3041 56.3086 42.5873 177.2044 103 I 4.0611 8.0911 110.7853 61.1530 38.3783 174.4577 104 S 4.5446 8.0902 113.5593 58.0712 64.8621 174.4330 105 L 4.6597 8.9851 122.0297 54.3342 41.6588 176.0711 106 N 4.8744 7.9478 115.4369 52.7728 43.2646 175.8854 107 G 3.9349 8.5651 108.5314 44.9035 0.0000 174.2454 108 S 4.2486 8.6742 112.1176 61.2529 63.1344 174.4556 109 H 5.0586 8.0870 116.5185 55.5324 28.6054 174.8099 110 S 4.3572 7.9763 115.3507 58.4576 62.6894 174.0325 111 I 3.8653 8.2113 119.5595 60.3210 38.0486 175.6064 112 I 3.7092 7.0500 123.0422 63.0613 37.4891 176.5276 113 G 3.8561 9.3782 113.5127 45.4150 0.0000 172.9018 114 R 5.0946 7.6545 119.3681 54.5214 33.5547 174.8058 115 S 5.2896 8.1674 114.4335 57.5898 66.5418 173.5395 116 M 4.9810 8.7836 122.7660 54.0707 34.4158 175.4200 117 V 4.9130 8.7969 121.8431 61.3127 35.6124 173.4559 118 I 4.8792 8.4648 128.0268 59.7364 39.9442 174.6597 119 H 5.3008 9.2971 127.6153 54.5439 30.0270 175.2897 120 E 4.2103 8.9678 118.3626 58.8846 30.2966 176.4570 121 N 5.0048 8.3291 116.8019 50.6690 42.3137 173.6945 122 E 4.4402 8.5036 120.6033 56.2668 30.6418 175.6011 123 D 4.8328 9.4923 127.1761 53.4015 41.2785 175.7269 124 D 4.5825 9.4188 125.2891 53.2599 39.3588 176.6759 125 L 3.5285 9.7749 118.2259 56.0904 39.6955 175.6461 126 G 4.4656 8.8869 105.1087 46.1100 0.0000 175.0591 127 R 4.4609 8.0817 117.9037 55.7764 31.1388 178.2872 128 G 3.7094 7.7896 106.3026 46.0447 0.0000 174.3354 129 G 3.7848 7.6161 106.3399 46.6647 0.0000 172.9179 130 H 4.8842 8.0416 116.9387 53.0391 31.5588 175.3279 131 E 3.9340 8.9303 120.8006 59.6268 29.4074 177.7449 132 L 4.3634 7.7915 115.7913 55.0388 42.7171 178.4771 133 S 4.2964 7.8213 116.7429 61.9000 62.9537 176.3120 134 K 4.3246 8.0320 116.5823 56.6591 32.1344 177.8420 135 V 4.0954 7.6846 118.0454 64.0067 33.2523 176.1935 136 T 4.1174 8.4761 105.7601 60.3997 70.1491 174.8058 137 G 3.7912 7.8882 110.6048 44.4775 0.0000 172.7497 138 N 4.2053 7.6690 115.7919 54.5511 37.8260 174.4634 139 A 4.3578 7.9786 117.9852 51.5080 19.8325 179.6928 140 G 4.0318 7.8727 104.3023 44.8617 0.0000 173.5319 141 G 3.9656 9.3160 108.7963 47.0889 0.0000 173.1015 142 R 4.7808 8.3344 119.0777 54.5814 30.5520 176.5929 143 L 4.2448 8.5632 125.1055 57.4072 42.1989 177.5405 144 A 4.9992 7.6449 118.2528 51.2058 23.1920 173.3913 145 C 5.6486 8.2304 112.8594 56.1843 46.8244 172.7965 146 G 4.6804 7.9794 102.9576 46.1089 0.0000 173.2143 147 V 4.4407 8.5344 121.6365 62.4903 32.9348 175.4617 148 V 4.2669 9.0291 127.0920 61.9555 32.5505 175.0789 149 G 4.5130 8.8354 115.2891 43.9774 0.0000 172.2743 150 L 4.5755 8.5292 120.9414 54.6395 42.2563 176.5015 151 A 4.9051 8.3181 123.7000 49.6250 21.8588 176.3025 152 A 4.0834 8.5292 121.8834 51.7717 19.2134 177.9525 153 E 4.1310 8.8645 118.8184 57.0796 29.5082 177.5646 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 -3 G 8.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.21 4.79 0.00 4.08 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 -1 N 9.72 4.65 0.00 2.85 2.78 0.00 0.00 7.00 7.49 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 -2 M 7.18 4.80 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 -1 K 9.61 4.23 0.00 1.86 1.78 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 3 A 9.17 5.20 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 4 V 9.04 5.05 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 0.70 0.00 0.00 1.00 0.00 0.00 5 C 9.23 4.99 0.00 3.22 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 6 V 8.54 4.50 2.09 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 0.93 0.00 0.00 0.93 0.00 0.00 7 M 9.32 5.16 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 8 T 8.52 4.80 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 1.22 0.00 0.00 9 G 7.66 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.62 4.67 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 1.22 0.00 0.00 11 A 8.06 4.52 1.24 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 0.00 0.00 0.00 12 G 8.43 3.91 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 0.00 0.00 0.00 13 V 7.39 4.62 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 0.91 0.00 0.00 0.90 0.00 0.00 14 K 8.21 4.90 0.00 1.90 1.86 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 15 G 8.05 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 0.00 0.00 0.00 16 V 7.43 4.88 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 0.87 0.00 0.00 0.84 0.00 0.00 17 V 8.91 4.75 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 0.58 0.00 0.00 0.98 0.00 0.00 18 K 8.86 5.03 0.00 1.62 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.33 7.81 19 F 9.39 5.69 0.00 2.97 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 20 T 8.81 5.95 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 1.25 0.00 0.00 21 Q 8.48 4.55 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 22 E 9.25 4.06 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 2.29 2.29 0.00 23 T 7.45 4.71 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 1.22 0.00 0.00 24 D 8.89 4.35 0.00 2.64 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 25 N 8.00 4.87 0.00 2.83 2.85 0.00 0.00 5.98 7.00 0.00 0.00 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 7.75 4.11 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 0.00 0.00 0.00 27 P 0.00 4.68 0.00 2.17 2.12 0.00 3.74 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 2.05 2.02 0.00 28 V 9.10 4.67 2.21 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 1.32 0.00 0.00 1.06 0.00 0.00 29 H 9.25 5.16 0.00 3.16 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.32 4.83 2.37 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 0.97 0.00 0.00 1.25 0.00 0.00 31 H 8.99 5.41 0.00 3.26 3.05 0.00 5.77 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 32 A 9.25 5.04 0.94 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 0.00 0.00 33 E 8.24 5.00 0.00 1.66 1.64 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 2.14 2.06 0.00 34 F 9.44 5.48 0.00 2.78 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 35 S 8.90 4.82 0.00 3.87 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 36 G 8.95 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 37 L 8.03 4.40 0.00 1.73 1.46 0.61 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.32 4.42 0.00 1.80 1.75 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 39 A 8.55 4.12 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 40 G 8.11 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 0.00 0.00 0.00 41 K 8.18 4.93 0.00 1.62 1.74 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 42 H 9.00 5.02 0.00 2.86 3.22 0.00 5.64 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 43 G 9.04 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 0.00 0.00 0.00 44 F 9.04 5.36 0.00 2.73 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 45 H 8.87 5.03 0.00 2.98 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.44 4.61 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 0.67 0.00 0.00 0.97 0.00 0.00 47 H 9.46 5.13 0.00 3.04 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.05 3.84 0.00 1.57 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 1.81 1.47 0.00 49 F 7.95 5.12 0.00 3.10 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 50 G 8.61 4.51 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 0.00 0.00 0.00 51 D 8.23 4.84 0.00 2.64 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 52 T 8.54 4.96 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 53 T 8.70 3.98 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 1.23 0.00 0.00 54 N 7.89 4.95 0.00 2.80 2.71 0.00 0.00 6.97 8.20 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 55 G 7.65 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 56 C 8.50 4.86 0.00 2.97 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 57 T 7.73 3.85 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 1.25 0.00 0.00 58 S 8.04 4.45 0.00 4.08 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 59 A 8.04 4.39 1.39 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 60 G 7.87 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 0.00 0.00 0.00 61 A 8.16 4.48 1.15 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 62 H 8.33 4.53 0.00 2.81 3.14 0.00 5.73 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 63 F 9.06 4.26 0.00 2.94 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 64 N 7.91 4.95 0.00 2.61 2.43 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 65 P 0.00 4.11 0.00 1.98 1.72 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.88 0.00 66 T 7.60 4.17 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 1.10 0.00 0.00 67 K 7.32 3.67 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.50 7.81 68 Q 8.07 4.53 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 69 E 8.12 4.50 0.00 1.89 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 2.36 2.29 0.00 70 H 8.56 4.03 0.00 3.12 3.26 0.00 5.94 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 71 G 8.24 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 0.00 0.00 0.00 0.00 72 A 9.58 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 73 P 0.00 4.32 0.00 2.11 2.21 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 74 E 8.05 4.13 0.00 1.97 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 2.32 2.35 0.00 75 D 7.62 4.63 0.00 2.77 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 76 S 8.53 4.19 0.00 3.85 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 77 I 7.45 4.18 1.84 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 1.45 1.19 0.93 0.00 0.00 78 R 7.62 4.74 0.00 1.80 1.89 0.00 2.92 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 79 H 9.21 4.54 0.00 3.53 3.36 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 80 V 8.50 3.52 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 0.80 0.00 0.00 0.60 0.00 0.00 81 G 8.08 3.91 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 0.00 0.00 0.00 82 D 8.41 4.90 0.00 2.62 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 83 L 8.30 4.60 0.00 1.37 1.68 0.62 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.45 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 85 N 8.87 5.61 0.00 2.66 2.75 0.00 0.00 6.60 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 86 V 8.73 4.45 1.75 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 0.75 0.00 0.00 0.24 0.00 0.00 87 V 8.52 4.79 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 0.85 0.00 0.00 0.97 0.00 0.00 88 A 9.01 4.87 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 89 G 8.67 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.52 3.98 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 91 D 8.03 4.44 0.00 2.78 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 92 G 8.50 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 93 N 8.82 5.47 0.00 2.81 2.74 0.00 0.00 6.63 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 94 A 8.98 5.00 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 95 V 8.49 4.82 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 0.85 0.00 0.00 0.94 0.00 0.00 96 Y 9.21 4.81 0.00 2.98 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 5.59 0.00 2.48 2.58 0.00 0.00 6.87 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 98 A 8.31 4.37 1.13 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 0.00 0.00 99 T 8.59 4.97 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 1.25 0.00 0.00 100 D 9.27 5.10 0.00 2.87 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 0.00 101 K 8.90 4.51 0.00 1.80 1.86 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 102 L 8.08 4.40 0.00 1.77 1.71 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.09 4.06 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 1.01 0.00 0.00 104 S 8.09 4.54 0.00 3.88 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 0.00 105 L 8.99 4.66 0.00 1.73 1.61 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.95 4.87 0.00 2.84 2.66 0.00 0.00 6.89 7.73 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 0.00 107 G 8.57 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 0.00 108 S 8.67 4.25 0.00 4.06 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 0.00 109 H 8.09 5.06 0.00 3.18 3.52 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.98 4.36 0.00 3.98 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 0.00 111 I 8.21 3.87 1.59 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.23 0.82 0.00 0.00 112 I 7.05 3.71 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.86 0.00 0.00 113 G 9.38 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 0.00 0.00 0.00 114 R 7.65 5.09 0.00 1.66 1.88 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 1.42 1.28 0.00 115 S 8.17 5.29 0.00 3.75 3.73 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 0.00 116 M 8.78 4.98 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.78 0.00 117 V 8.80 4.91 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 0.74 0.00 0.00 0.73 0.00 0.00 118 I 8.46 4.88 1.47 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.07 0.74 0.00 0.00 119 H 9.30 5.30 0.00 3.16 3.51 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.97 4.21 0.00 2.01 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 2.51 2.31 0.00 121 N 8.33 5.00 0.00 2.73 2.75 0.00 0.00 6.62 7.21 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 0.00 122 E 8.50 4.44 0.00 1.95 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 2.31 2.42 0.00 123 D 9.49 4.83 0.00 2.81 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 0.00 124 D 9.42 4.58 0.00 2.92 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 0.00 125 L 9.77 3.53 0.00 1.76 1.78 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.89 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 0.00 127 R 8.08 4.46 0.00 1.98 1.95 0.00 3.15 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 128 G 7.79 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 0.00 0.00 0.00 129 G 7.62 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 0.00 130 H 8.04 4.88 0.00 3.17 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.93 3.93 0.00 1.91 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 2.30 2.41 0.00 132 L 7.79 4.36 0.00 1.72 1.63 0.90 0.89 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 0.00 133 S 7.82 4.30 0.00 3.95 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 0.00 134 K 8.03 4.32 0.00 1.78 1.81 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.36 7.81 135 V 7.68 4.10 2.03 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 0.81 0.00 0.00 0.92 0.00 0.00 136 T 8.48 4.12 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 1.08 0.00 0.00 137 G 7.89 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 0.00 138 N 7.67 4.21 0.00 2.91 2.95 0.00 0.00 7.06 8.08 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 0.00 139 A 7.98 4.36 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 0.00 140 G 7.87 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 0.00 141 G 9.32 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 0.00 0.00 0.00 142 R 8.33 4.78 0.00 1.69 1.84 0.00 3.22 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 143 L 8.56 4.24 0.00 1.58 1.67 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.64 5.00 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 0.00 145 C 8.23 5.65 0.00 3.08 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 0.00 146 G 7.98 4.68 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 0.00 147 V 8.53 4.44 2.09 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 0.80 0.00 0.00 0.99 0.00 0.00 148 V 9.03 4.27 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 0.69 0.00 0.00 0.88 0.00 0.00 149 G 8.84 4.51 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 0.00 0.00 0.00 150 L 8.53 4.58 0.00 1.55 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.32 4.91 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 0.00 152 A 8.53 4.08 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 0.00 153 E 8.86 4.13 0.00 1.95 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 0.00 2.33 2.42 0.00