NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4136 8.2893 120.3486 55.3394 33.1137 174.7990 2 N 4.6221 8.5916 124.0605 51.6109 38.8177 172.9855 3 I 4.6014 8.8016 121.1111 59.5738 41.8992 176.3006 4 I 4.3726 8.3204 123.7320 59.6216 38.5777 175.1573 5 K 4.4410 8.6068 124.8988 54.4045 33.9437 176.2958 6 A 4.5326 8.3823 126.5217 50.9048 20.9835 175.1161 7 N 5.0568 8.1795 116.7883 51.9288 41.4651 175.6594 8 V 3.9044 8.1867 114.3931 62.7019 32.2765 176.7692 9 A 4.2756 8.1159 123.6378 52.0898 18.7799 178.0635 10 A 4.6491 8.2254 122.3210 51.2580 21.6966 174.1123 11 P 4.7254 0.0000 0.0000 64.7510 32.2159 178.9044 12 D 4.5312 8.0769 115.5781 54.3229 40.5058 175.7509 13 A 4.6263 7.7044 124.7218 51.8024 20.2276 178.2493 14 R 4.8398 9.5460 120.7932 55.0879 32.6558 175.8085 15 V 4.9223 8.8952 124.3620 60.0085 34.7110 173.9458 16 A 4.8633 8.4395 128.7145 50.1083 21.5175 175.2406 17 I 4.7665 8.6476 123.6384 59.5857 39.4053 174.6789 18 T 4.8378 8.5630 117.7120 59.9576 70.8163 173.4640 19 I 5.2329 8.2829 126.2263 58.1956 40.8062 174.3792 20 A 5.0736 8.4393 127.6179 51.2204 19.2450 177.9406 21 R 4.4331 9.2594 119.5791 58.4196 30.2723 176.9563 22 F 4.5825 8.1939 121.3501 59.9549 39.6624 174.3312 23 N 4.6688 9.8723 123.9685 54.5166 35.6133 176.1181 24 Q 4.1554 8.3130 120.4600 59.4866 28.0669 177.9221 25 F 3.9950 8.4964 121.4527 61.0764 39.4346 176.3393 26 I 4.2470 8.2446 118.5931 63.5856 37.7756 177.7707 27 N 4.3835 8.2482 116.6213 56.2286 38.2935 176.9310 28 D 4.4786 8.7098 120.8665 57.6383 40.9738 178.8547 29 S 4.0689 7.9553 112.9894 60.9982 62.4675 175.3830 30 L 4.0455 7.9052 123.2456 58.7804 41.7308 178.2765 31 L 3.8746 8.4822 120.5730 57.5366 41.9560 178.7174 32 D 4.4983 8.5724 118.4821 57.2787 40.9435 179.8610 33 G 3.5761 8.1352 105.9115 47.7126 0.0000 175.4454 34 A 3.9281 8.2437 124.1252 54.7664 18.4676 179.5011 35 V 3.4475 7.7565 116.0308 66.3039 31.5326 177.0733 36 D 4.3295 8.1264 117.1621 57.7136 40.9271 177.9598 37 A 3.9256 8.2609 121.0040 55.7981 18.3041 179.0076 38 L 3.8629 8.4115 116.7431 59.3711 41.8284 179.8045 39 T 4.1887 8.2966 110.9503 63.9489 68.6115 176.2339 40 R 3.8595 8.1605 123.9713 58.2763 30.6731 177.9987 41 I 4.0816 8.0384 117.1515 63.4528 37.8837 177.0329 42 G 3.8091 7.9582 106.5931 45.1654 0.0000 174.1117 43 Q 3.8277 8.2346 117.5477 56.3864 26.7544 173.3232 44 V 3.8752 7.5447 119.0244 62.3765 32.2378 175.2726 45 K 4.2919 8.5716 128.8248 56.2665 32.5375 176.6192 46 D 4.6929 8.8066 124.3748 54.0289 39.1335 176.2080 47 D 4.7799 7.9715 117.3259 53.7768 40.2099 176.3315 48 N 4.7202 8.5640 117.7382 53.5998 39.3530 174.0439 49 I 4.9272 7.5810 120.2476 60.1786 38.4832 175.1723 50 T 4.7156 8.8715 117.4095 59.7010 71.9245 173.0287 51 V 4.6246 8.3916 123.5057 61.0605 34.1797 174.5317 52 V 4.3068 9.0472 128.9621 60.7960 33.7658 174.4764 53 W 4.8241 8.9689 129.0720 56.5229 29.5895 176.4685 54 V 4.3950 8.7171 119.1448 58.9883 33.8458 174.6881 55 P 4.3189 0.0000 0.0000 65.0811 31.3512 177.1948 56 G 4.4521 7.9691 108.2906 42.8642 0.0000 174.0320 57 A 4.0610 8.4714 120.3550 54.7724 18.0931 179.2032 58 Y 4.1963 8.1654 117.1550 60.7197 39.2531 177.4405 59 E 4.1169 8.2049 119.0961 57.9607 29.6017 178.5634 60 L 3.9025 7.5785 119.5236 58.2408 41.6177 177.0134 61 P 4.1877 0.0000 0.0000 64.6630 31.1217 178.0463 62 L 3.9105 7.6608 118.0139 58.4525 42.3540 179.3223 63 A 3.9886 7.8262 120.1925 55.6226 18.3288 179.8206 64 T 3.8675 8.1502 108.2679 64.4374 68.7615 176.2936 65 E 3.8412 9.0411 123.1237 59.1901 29.6200 178.2219 66 A 4.0058 8.0111 120.5951 55.6373 18.1899 179.5135 67 L 4.0762 7.5660 114.8113 57.9887 41.9941 179.5541 68 A 4.2177 8.2824 120.6764 55.1854 18.2104 179.8429 69 K 3.9439 8.2061 116.1769 59.6179 32.1442 179.1128 70 S 4.2008 8.2109 112.9288 59.3173 61.5277 175.7978 71 G 3.9391 8.4962 110.4000 46.3756 0.0000 176.1949 72 K 3.9572 7.7350 120.5645 56.3816 31.8504 182.1856 73 Y 5.0912 6.9024 114.1567 56.7264 40.4114 175.5503 74 D 4.7145 9.3120 122.1898 56.0520 41.7818 176.4274 75 A 4.5520 7.3562 117.4255 51.2230 22.5060 175.1026 76 V 4.7233 8.2286 119.9656 61.0353 34.6710 174.4895 77 V 4.3792 8.7112 128.2867 61.5367 33.3521 174.1785 78 A 4.9226 8.5536 130.3526 49.7407 20.7541 175.2788 79 L 5.4680 8.0314 123.1831 52.5812 44.5143 176.3260 80 G 4.1864 7.7103 108.2447 46.2444 0.0000 171.9077 81 T 5.0876 8.1697 116.2961 61.5041 72.0518 174.4537 82 V 4.2276 9.1207 124.9526 61.4265 34.3044 173.8555 83 I 4.8101 8.2089 128.8127 59.4049 38.8022 175.9765 84 R 3.6123 8.4786 127.8790 56.6086 30.2397 176.4107 85 G 4.4034 8.3640 116.1917 44.4362 0.0000 173.0856 86 G 3.6484 8.7800 107.8216 47.4379 0.0000 173.3601 87 T 4.5239 7.5893 108.3485 59.6918 71.4597 173.5677 88 A 4.4532 8.3724 121.4602 52.7545 18.7152 178.6735 89 H 4.2836 8.2710 120.2518 60.2379 29.6885 176.9107 90 F 4.0461 8.4729 121.9330 61.4610 39.0313 176.5976 91 E 3.5770 8.0278 118.5254 59.5501 29.4308 178.4310 92 Y 4.3140 7.3906 115.9163 60.8151 38.1988 177.4732 93 V 3.6669 7.7265 119.4398 65.8440 31.5493 177.7161 94 A 4.0750 7.8243 120.1225 55.3042 18.0998 179.6717 95 G 3.6184 8.1909 104.4748 47.7621 0.0000 176.0074 96 G 3.8637 8.5809 108.1349 45.7734 0.0000 174.7236 97 A 4.3405 7.7017 122.4886 54.3371 19.7333 179.1577 98 S 4.1051 8.3148 111.9539 61.7898 62.3491 176.2415 99 N 4.4211 8.5269 119.4741 56.0110 38.3378 177.3663 100 G 3.7288 7.6568 105.7561 48.0870 0.0000 175.4469 101 L 3.9997 8.0286 121.6686 57.2600 41.8727 179.6371 102 A 3.9908 8.0107 120.5714 55.0480 18.2757 179.5910 103 S 3.9568 8.3675 111.8935 61.5132 62.4605 176.1301 104 V 3.5437 7.7879 120.7295 66.2716 31.1074 177.6545 105 A 4.3629 7.8133 121.1382 54.8022 18.0029 179.4150 106 Q 3.8911 7.6750 116.2537 59.2258 29.1387 177.8589 107 D 4.5253 8.0102 119.3766 57.0450 41.2475 178.4955 108 S 4.3481 8.3456 112.9006 58.6672 63.4522 175.5076 109 G 3.8822 8.1003 109.4338 45.8121 0.0000 173.7568 110 V 3.9462 7.5592 121.0673 61.6352 32.9936 173.6471 111 P 4.5478 0.0000 0.0000 62.7251 32.5081 175.1700 112 V 4.9127 8.3714 123.3195 61.0261 34.1015 174.2595 113 A 4.4358 8.9658 130.4415 51.0518 20.4173 176.3327 114 F 4.8417 8.9837 126.4547 56.1302 38.2824 175.8892 115 G 3.9698 8.0632 117.8649 44.9311 0.0000 170.8702 116 V 4.5907 6.0977 117.5705 60.5904 33.9342 176.0045 117 L 4.2730 8.7473 129.4153 55.0611 42.7827 176.5709 118 T 5.2592 8.5239 113.0942 59.8468 68.8870 172.6263 119 T 4.5979 8.7042 121.0272 60.9690 71.9594 175.2607 120 E 4.0834 9.7700 120.8001 57.4366 30.4451 177.3683 121 S 4.7089 7.5911 111.8978 55.5870 67.6207 174.8002 122 I 3.6916 8.2411 123.2631 64.2930 36.5942 177.9870 123 E 3.9140 8.1948 119.0560 59.7546 29.5450 178.6731 124 Q 4.2786 8.1324 117.4512 58.8085 28.7430 178.5015 125 A 4.0099 7.8273 121.5768 55.4165 18.3274 179.7043 126 I 3.7527 7.8723 118.1815 64.6843 37.1178 178.5385 127 E 4.5531 8.0297 120.4095 58.0611 29.2754 178.4260 128 R 4.5502 7.9659 115.7309 55.6428 30.5799 176.6415 129 A 4.8056 7.2433 121.9500 52.6846 19.4793 177.1488 130 G 4.4624 8.0970 108.0716 48.0831 0.0000 175.3988 131 T 4.6195 7.5202 115.3706 60.0514 68.7774 175.6826 132 K 3.7821 9.2534 117.1253 59.3848 31.7332 177.7772 133 A 4.5473 7.8176 119.1464 52.1076 19.8934 179.0649 134 G 3.7347 8.1599 110.0136 47.3882 0.0000 173.9442 135 N 5.2389 8.2575 118.2733 50.9701 41.1267 175.5258 136 K 4.0152 8.9248 129.1533 59.2483 32.0510 179.0494 137 G 4.0817 8.2491 107.5492 47.3718 0.0000 175.5197 138 A 4.0355 7.8916 123.2724 54.3572 18.4504 179.2541 139 E 3.8603 8.4116 117.7547 59.3442 29.7411 178.8872 140 A 4.0483 8.5974 122.4284 54.4373 18.4081 179.3310 141 A 3.8948 8.1850 119.4790 55.3531 18.3701 179.9256 142 L 3.9162 8.0030 117.5629 58.2146 41.2517 179.9310 143 T 3.8390 8.1104 109.3026 64.4425 68.4718 176.3027 144 A 3.9687 7.8777 123.9581 55.0776 18.3488 179.1984 145 L 3.8702 7.8383 117.1352 58.1446 41.7591 179.2301 146 E 4.1696 8.3153 120.4210 59.0596 29.4375 178.9613 147 M 4.0416 7.9378 117.7955 58.3836 31.9506 178.4223 148 I 3.6833 7.7123 119.9664 64.8596 37.2786 178.1846 149 N 4.3222 7.9526 116.7384 56.1767 38.1447 177.5540 150 V 3.5861 7.9079 119.0746 66.1389 31.8288 177.8793 151 L 4.0766 8.4615 118.8872 57.7266 41.3657 179.1918 152 K 3.8775 8.1153 118.6022 59.5869 32.1184 177.2492 153 A 4.4417 8.1823 120.2942 51.7906 19.2176 177.2680 154 I 3.8560 7.7727 120.8919 63.2282 37.7928 173.8941 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 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.62 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.60 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.37 1.87 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 1.41 0.61 0.91 0.00 0.00 5 K 8.61 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.53 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 7 N 8.18 5.06 0.00 2.73 2.64 0.00 0.00 6.87 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 8 V 8.19 3.90 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.12 4.28 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 10 A 8.23 4.65 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.73 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.53 0.00 2.69 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 13 A 7.70 4.63 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.55 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.90 4.92 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 0.99 0.00 0.00 0.95 0.00 0.00 16 A 8.44 4.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.65 4.77 1.68 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 1.17 0.88 0.73 0.00 0.00 18 T 8.56 4.84 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 1.09 0.00 0.00 19 I 8.28 5.23 0.78 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 0.80 -0.12 0.35 0.00 0.00 20 A 8.44 5.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.26 4.43 0.00 2.09 2.52 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.19 4.58 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.87 4.67 0.00 2.98 3.00 0.00 0.00 6.88 8.15 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 24 Q 8.31 4.16 0.00 2.52 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 25 F 8.50 3.99 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.24 4.25 2.11 0.00 0.00 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 1.68 1.15 0.96 0.00 0.00 27 N 8.25 4.38 0.00 2.88 2.92 0.00 0.00 7.09 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 28 D 8.71 4.48 0.00 2.65 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 29 S 7.96 4.07 0.00 3.82 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 30 L 7.91 4.05 0.00 1.93 1.65 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.48 3.87 0.00 1.77 1.78 0.77 1.02 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 32 D 8.57 4.50 0.00 2.87 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 33 G 8.14 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.24 3.93 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 35 V 7.76 3.45 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 1.01 0.00 0.00 0.95 0.00 0.00 36 D 8.13 4.33 0.00 2.85 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 37 A 8.26 3.93 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 38 L 8.41 3.86 0.00 1.86 1.72 0.89 0.55 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 39 T 8.30 4.19 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 1.28 0.00 0.00 40 R 8.16 3.86 0.00 1.81 2.25 0.00 3.24 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 8.04 4.08 2.09 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 1.23 0.97 0.91 0.00 0.00 42 G 7.96 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 0.00 0.00 0.00 43 Q 8.23 3.83 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.54 3.88 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 0.98 0.00 0.00 1.01 0.00 0.00 45 K 8.57 4.29 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.69 0.00 2.83 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 47 D 7.97 4.78 0.00 2.79 2.81 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 48 N 8.56 4.72 0.00 2.87 3.00 0.00 0.00 6.90 7.44 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 49 I 7.58 4.93 1.88 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 1.40 0.53 0.88 0.00 0.00 50 T 8.87 4.72 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 1.51 0.00 0.00 51 V 8.39 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 0.48 0.00 0.00 0.83 0.00 0.00 52 V 9.05 4.31 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.97 4.82 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.72 4.39 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 0.86 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.97 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.47 4.06 1.34 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 58 Y 8.17 4.20 0.00 2.92 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.20 4.12 0.00 2.02 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 2.63 2.58 0.00 60 L 7.58 3.90 0.00 1.72 1.71 0.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.19 0.00 2.03 1.84 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 62 L 7.66 3.91 0.00 1.63 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 3.99 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 64 T 8.15 3.87 4.19 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 1.20 0.00 0.00 65 E 9.04 3.84 0.00 1.99 2.18 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 2.31 2.33 0.00 66 A 8.01 4.01 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 67 L 7.57 4.08 0.00 1.74 1.67 0.64 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.28 4.22 1.38 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 69 K 8.21 3.94 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.21 4.20 0.00 3.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.50 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.73 3.96 0.00 1.82 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.90 5.09 0.00 3.13 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 74 D 9.31 4.71 0.00 2.56 2.74 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 75 A 7.36 4.55 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 76 V 8.23 4.72 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 0.99 0.00 0.00 0.85 0.00 0.00 77 V 8.71 4.38 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.55 4.92 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 79 L 8.03 5.47 0.00 1.39 1.40 0.86 0.83 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 80 G 7.71 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.17 5.09 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 1.19 0.00 0.00 82 V 9.12 4.23 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 0.94 0.00 0.00 0.88 0.00 0.00 83 I 8.21 4.81 1.85 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 1.24 0.70 0.84 0.00 0.00 84 R 8.48 3.61 0.00 0.67 1.39 0.00 3.08 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 85 G 8.36 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 0.00 0.00 0.00 0.00 86 G 8.78 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.59 4.52 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 1.24 0.00 0.00 88 A 8.37 4.45 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.27 4.28 0.00 3.23 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.47 4.05 0.00 3.10 3.03 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 91 E 8.03 3.58 0.00 1.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 92 Y 7.39 4.31 0.00 2.98 2.88 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 93 V 7.73 3.67 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 1.05 0.00 0.00 0.78 0.00 0.00 94 A 7.82 4.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.19 3.62 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 0.00 0.00 0.00 96 G 8.58 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 97 A 7.70 4.34 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.11 0.00 3.68 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 99 N 8.53 4.42 0.00 2.86 2.82 0.00 0.00 6.94 8.41 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 0.00 100 G 7.66 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 0.00 0.00 0.00 101 L 8.03 4.00 0.00 1.88 1.82 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.01 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 3.96 0.00 3.95 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 0.00 104 V 7.79 3.54 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 1.07 0.00 0.00 0.98 0.00 0.00 105 A 7.81 4.36 1.43 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 0.00 106 Q 7.68 3.89 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.01 4.53 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 0.00 108 S 8.35 4.35 0.00 4.02 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 0.00 109 G 8.10 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 0.00 110 V 7.56 3.95 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 0.96 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.55 0.00 2.12 1.96 0.00 3.78 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 2.12 2.09 0.00 112 V 8.37 4.91 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 0.86 0.00 0.00 0.98 0.00 0.00 113 A 8.97 4.44 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 0.00 114 F 8.98 4.84 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 0.00 115 G 8.06 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 0.00 116 V 6.10 4.59 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 0.69 0.00 0.00 -0.04 0.00 0.00 117 L 8.75 4.27 0.00 1.62 1.58 0.92 0.62 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 T 8.52 5.26 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 T 8.70 4.60 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 1.25 0.00 0.00 120 E 9.77 4.08 0.00 1.97 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 2.31 2.30 0.00 121 S 7.59 4.71 0.00 3.95 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 0.00 122 I 8.24 3.69 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.54 0.86 0.00 0.00 123 E 8.19 3.91 0.00 1.93 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 0.00 2.30 2.49 0.00 124 Q 8.13 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 125 A 7.83 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.87 3.75 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.05 0.99 0.00 0.00 127 E 8.03 4.55 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 128 R 7.97 4.55 0.00 1.86 1.93 0.00 3.12 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 129 A 7.24 4.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 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 0.00 0.00 0.00 0.00 131 T 7.52 4.62 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 1.23 0.00 0.00 132 K 9.25 3.78 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.82 4.55 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 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 0.00 0.00 0.00 135 N 8.26 5.24 0.00 2.70 2.66 0.00 0.00 6.93 6.82 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 0.00 136 K 8.92 4.02 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.25 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 0.00 138 A 7.89 4.04 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 0.00 139 E 8.41 3.86 0.00 2.05 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 0.00 2.31 2.33 0.00 140 A 8.60 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.18 3.89 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 0.00 142 L 8.00 3.92 0.00 1.99 1.72 0.91 0.44 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 0.00 143 T 8.11 3.84 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 1.24 0.00 0.00 144 A 7.88 3.97 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 0.00 145 L 7.84 3.87 0.00 1.86 1.88 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.32 4.17 0.00 2.01 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 2.32 2.24 0.00 147 M 7.94 4.04 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 148 I 7.71 3.68 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.84 0.92 0.00 0.00 149 N 7.95 4.32 0.00 2.90 2.86 0.00 0.00 6.73 8.65 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 0.00 150 V 7.91 3.59 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 0.83 0.00 0.00 1.02 0.00 0.00 151 L 8.46 4.08 0.00 1.91 1.69 0.93 0.78 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 0.00 152 K 8.12 3.88 0.00 1.83 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.18 4.44 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.77 3.86 1.87 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 1.16 0.73 0.91 0.00 0.00