NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4114 8.2893 120.3486 55.3670 33.0528 174.7337 2 N 4.6626 8.5771 124.0574 51.4762 38.9286 173.0130 3 I 4.6009 8.7805 121.0067 59.6122 41.9835 176.2684 4 I 4.3630 8.3370 123.9734 59.6193 38.4737 175.1577 5 K 4.4410 8.6049 124.8778 54.3967 34.0222 176.2662 6 A 4.5440 8.3944 126.5243 50.8526 20.7098 175.0210 7 N 5.0522 8.1961 116.7905 51.9574 41.5359 175.5444 8 V 3.9362 8.1617 113.8578 62.4277 32.3300 176.7906 9 A 4.2774 8.0927 123.6322 52.1026 18.7539 177.9763 10 A 4.6241 8.3008 121.9336 51.2693 21.4706 174.1412 11 P 4.7074 0.0000 0.0000 64.7634 32.1942 178.8343 12 D 4.7475 8.0691 115.6766 54.3002 40.6011 175.8145 13 A 4.5864 7.6079 124.9077 51.9263 20.0943 178.2347 14 R 4.8310 9.5247 120.8663 55.1241 32.5357 175.8431 15 V 4.9397 8.9001 124.4375 60.0007 34.8182 173.9500 16 A 4.8499 8.5027 128.4745 50.0898 21.5018 175.1991 17 I 4.7769 8.7514 123.8653 59.6064 39.4491 174.6966 18 T 4.8235 8.5237 117.7779 60.0011 70.8660 173.4847 19 I 5.2635 8.2532 126.4730 58.1585 40.6082 174.5437 20 A 5.0900 8.4644 128.1096 51.4598 18.9924 177.9584 21 R 4.4486 9.3518 119.5821 58.4092 30.2704 176.9414 22 F 4.5530 8.2104 121.3668 60.0127 39.6559 174.3460 23 N 4.6966 9.8448 123.9723 54.4947 35.5169 176.1297 24 Q 4.1642 8.3099 120.3922 59.4655 28.0681 177.9174 25 F 3.7377 8.5081 121.4908 61.1360 39.4231 176.3439 26 I 4.2301 8.2526 118.6151 63.5965 37.4996 177.7933 27 N 4.3993 8.1815 116.6520 56.1719 38.3066 176.9386 28 D 4.5512 8.8604 121.2791 57.6772 41.0064 178.8771 29 S 4.0912 7.9687 112.9288 60.9751 62.4009 175.4836 30 L 4.0593 7.8468 123.3225 58.6960 41.6803 178.1853 31 L 3.8691 8.5746 120.6211 57.5400 41.9044 178.7552 32 D 4.4995 8.5169 118.4535 57.2483 41.0075 179.6959 33 G 3.6307 8.1257 105.8996 47.8249 0.0000 175.2582 34 A 3.9196 7.8222 123.3404 54.6608 18.4255 179.3657 35 V 3.4484 7.9103 116.6967 66.2855 31.5937 177.3640 36 D 4.2982 8.1740 117.1808 57.7405 40.9431 177.7020 37 A 3.9164 8.3339 120.9687 55.7616 18.3764 179.0585 38 L 3.8812 8.5212 116.5561 59.1511 41.8824 179.8516 39 T 4.2030 8.2802 111.0017 64.0742 68.6150 176.3100 40 R 3.8643 8.2121 123.8010 58.2159 30.6797 178.0030 41 I 4.0807 8.0627 117.3962 63.4735 37.8165 177.1005 42 G 3.7384 7.9356 106.5390 45.2298 0.0000 174.0061 43 Q 3.7433 8.2568 119.9216 56.4734 27.9042 172.7818 44 V 3.8772 7.5092 116.8619 61.9749 32.1496 175.2370 45 K 4.3290 8.5910 129.0203 56.3463 32.5447 176.5538 46 D 4.7027 8.8043 124.4976 53.9496 39.1039 176.2112 47 D 4.8058 7.9940 117.0353 53.7785 40.1765 176.2757 48 N 4.7124 8.5222 117.7714 53.6372 39.3510 174.0684 49 I 4.9289 7.5923 120.2443 60.2054 38.4418 175.1634 50 T 4.7188 8.9060 117.5579 59.7010 71.8728 173.0560 51 V 4.6055 8.3950 123.5227 61.0660 34.1883 174.5463 52 V 4.3003 9.0385 128.9948 60.7634 33.7051 174.5696 53 W 4.8347 8.9795 129.1489 56.6464 29.4647 176.5189 54 V 4.3138 8.5623 119.1008 59.1681 33.4765 174.7721 55 P 4.3207 0.0000 0.0000 65.0887 31.3045 177.1278 56 G 4.4979 7.9649 108.2693 42.8622 0.0000 174.0809 57 A 4.0525 8.4844 120.5033 54.8476 18.0768 179.2390 58 Y 4.2109 8.1580 117.1450 60.7754 39.1616 177.5145 59 E 4.0941 8.2433 119.2958 58.2046 29.6143 178.6671 60 L 3.8835 7.6383 119.5690 58.0198 41.5815 177.2390 61 P 4.1895 0.0000 0.0000 64.7619 31.2098 177.9466 62 L 4.0057 7.7414 118.0530 58.4778 42.2026 179.0300 63 A 3.9852 7.7541 119.9561 55.7204 18.2742 179.8380 64 T 3.8094 8.0683 108.0220 64.5664 68.7123 176.0803 65 E 3.8425 9.0470 123.2073 59.1689 29.5729 178.2914 66 A 4.0040 8.0486 120.6201 55.6368 18.1898 179.6127 67 L 4.0587 7.6158 114.9718 57.8866 41.9578 179.5047 68 A 4.2175 8.4385 121.0773 55.1609 18.2076 179.7833 69 K 3.9200 8.2374 116.2633 59.6747 32.1552 178.9144 70 S 4.1994 8.1810 112.9950 59.5275 61.2310 175.9233 71 G 3.9496 8.4785 110.3763 46.2969 0.0000 176.0708 72 K 3.9061 7.6782 120.1953 56.3256 31.8529 182.1562 73 Y 5.1129 6.9557 113.6977 56.8609 40.6898 175.4356 74 D 4.7393 9.2036 121.8125 55.7123 41.8371 176.4325 75 A 4.5420 7.3199 117.6264 51.2522 22.4793 175.0897 76 V 4.7518 8.2181 119.9501 61.0327 34.7005 174.4889 77 V 4.3581 8.7371 128.2822 61.4785 33.3102 174.2201 78 A 4.9085 8.5320 130.5495 49.8236 20.6091 175.2708 79 L 5.2279 7.9897 123.0710 52.7172 44.3840 176.4303 80 G 4.1911 7.6801 108.4784 46.0039 0.0000 171.8524 81 T 5.0592 8.5302 116.0038 61.4949 72.0913 174.2017 82 V 4.2281 9.0886 125.4391 61.3315 34.0583 173.9350 83 I 4.7832 8.1934 128.7793 59.5745 38.7194 175.9741 84 R 3.6813 8.5335 127.8304 56.5592 30.3211 176.3122 85 G 4.4231 8.3387 116.0465 44.1971 0.0000 172.8779 86 G 3.6403 8.7723 107.5549 47.4712 0.0000 173.3836 87 T 4.5232 7.5915 108.3927 59.7046 71.4907 173.5150 88 A 4.4652 8.3672 121.3063 52.7712 18.7170 178.7131 89 H 4.2773 8.3396 120.2532 60.3292 29.7596 176.9006 90 F 3.9968 8.4768 121.9855 61.5631 39.0054 176.6390 91 E 3.5948 7.9782 118.3882 59.5322 29.3338 178.3842 92 Y 4.3245 7.4150 115.9017 60.7078 38.2610 177.5823 93 V 3.6467 7.6947 119.3416 65.9234 31.5818 177.8048 94 A 4.0802 7.7658 120.1012 55.2685 18.0662 179.6033 95 G 3.6206 8.1608 104.5950 47.7676 0.0000 176.0612 96 G 3.8491 8.7100 108.5102 45.9599 0.0000 174.8689 97 A 4.2542 7.8430 122.5522 54.4113 19.6077 179.1562 98 S 4.1174 8.2904 111.9058 61.8447 62.3647 176.2626 99 N 4.4327 8.5275 119.4660 55.9946 38.3241 177.3380 100 G 3.7637 7.7191 106.4869 48.1150 0.0000 175.4508 101 L 3.9957 8.0542 121.5742 57.2355 41.8760 179.5773 102 A 3.9906 8.0170 120.5607 55.1268 18.2457 179.5480 103 S 3.9587 8.3697 111.8170 61.5044 62.4636 176.1372 104 V 3.5393 7.7672 120.7043 66.2872 31.1516 177.6720 105 A 4.3510 7.8084 121.0820 54.8173 17.9978 179.4574 106 Q 3.9128 7.6624 116.1762 59.0810 29.1317 177.7814 107 D 4.5308 8.0327 119.5296 57.0097 41.2954 178.5101 108 S 4.3392 8.3789 112.9012 58.7490 63.4368 175.6252 109 G 3.8977 8.0865 109.4799 45.7637 0.0000 173.7635 110 V 3.9896 7.4931 121.0423 61.5735 33.0603 173.6080 111 P 4.5246 0.0000 0.0000 62.6504 32.5269 175.1696 112 V 4.9035 8.3746 123.4103 61.0211 34.0787 174.2619 113 A 4.4123 8.8956 130.4696 51.0542 20.2698 176.2985 114 F 4.8144 9.0196 126.7405 56.2919 38.4623 175.8812 115 G 3.9482 8.0972 118.2625 44.9333 0.0000 171.0884 116 V 4.5795 6.0738 117.5877 60.5294 33.8557 176.0884 117 L 4.2387 8.7271 129.5594 55.2020 42.7374 176.7253 118 T 5.2641 8.5173 112.9247 59.8826 68.9183 172.5696 119 T 4.6187 8.7264 120.9505 60.9557 72.0018 175.1279 120 E 4.0837 9.8130 120.7241 57.3069 30.4858 177.2050 121 S 4.7043 7.5726 112.0125 55.6133 67.6231 174.8247 122 I 3.6797 8.2189 123.0703 64.2330 36.8092 177.9312 123 E 3.9106 8.2675 119.8884 59.8109 29.0892 179.0094 124 Q 4.1608 7.8943 115.9466 58.7677 29.0546 178.2498 125 A 4.1670 7.7515 121.9249 55.4776 18.1959 179.6493 126 I 3.7345 7.8421 118.1328 64.7870 37.1326 178.5381 127 E 4.5435 8.0491 120.1668 58.1383 29.2719 178.4718 128 R 4.5331 7.9464 115.6903 55.7033 30.5118 176.6755 129 A 4.7941 7.1899 121.5518 52.7030 19.4883 177.2567 130 G 4.4644 8.0616 107.7859 48.1973 0.0000 175.3262 131 T 4.6117 7.4958 115.5715 60.0574 68.8696 175.7620 132 K 3.7715 9.2340 117.1130 59.3640 31.7696 177.8349 133 A 4.5495 7.7937 119.3241 52.1190 19.9833 178.9580 134 G 3.7350 8.0390 110.5631 47.3473 0.0000 173.9346 135 N 5.2889 8.2491 118.0900 50.9606 41.0419 175.5455 136 K 3.9954 8.9466 129.0824 59.2935 32.0438 178.8890 137 G 4.1032 8.2903 107.7040 47.3353 0.0000 175.4467 138 A 4.0296 7.8964 123.0745 54.3905 18.4676 179.2520 139 E 3.8794 8.4150 117.9166 59.3087 29.7168 178.8918 140 A 4.0599 8.6998 122.4775 54.3790 18.4450 179.3625 141 A 3.8973 8.2427 119.6152 55.3569 18.3837 179.9255 142 L 3.9267 8.0095 117.6051 58.2031 41.2849 179.9297 143 T 3.8396 8.1090 109.3416 64.4597 68.5121 176.2946 144 A 3.9800 7.9026 123.9128 55.0583 18.3465 179.2117 145 L 3.8897 7.8015 117.0065 58.1225 41.7975 179.2457 146 E 4.1731 8.2962 120.4301 59.0470 29.4274 178.8676 147 M 4.0432 8.0060 118.2363 58.4142 31.9393 178.4252 148 I 3.6872 7.7592 119.9031 64.8456 37.3270 178.1629 149 N 4.3202 7.9496 116.6536 56.2076 38.1615 177.4951 150 V 3.5934 7.9353 118.9911 66.2059 31.7991 177.8720 151 L 4.0773 8.4106 118.8216 57.7162 41.3652 179.1585 152 K 3.8643 8.1734 118.7138 59.6000 32.1489 177.3273 153 A 4.4405 8.2811 120.4544 51.7466 19.2379 177.2749 154 I 3.8686 7.7851 120.9670 63.1827 37.7649 173.9223 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 8.58 4.66 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 8.78 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 8.34 4.36 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 8.60 4.44 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.54 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 8.20 5.05 0.00 2.73 2.64 0.00 0.00 6.85 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 8.16 3.94 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 8.09 4.28 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 10 A 8.30 4.62 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 11 P 0.00 4.71 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 8.07 4.75 0.00 2.69 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 13 A 7.61 4.59 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 14 R 9.52 4.83 0.00 1.42 1.79 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 4.94 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 0.95 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.85 0.34 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 17 I 8.75 4.78 1.68 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 1.17 0.88 0.75 0.00 0.00 18 T 8.52 4.82 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 8.25 5.26 0.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.09 0.42 0.00 0.00 20 A 8.46 5.09 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 9.35 4.45 0.00 2.09 2.52 0.00 2.87 0.00 0.00 3.11 7.37 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 8.21 4.55 0.00 3.17 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 9.84 4.70 0.00 3.00 3.01 0.00 0.00 6.88 8.09 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 24 Q 8.31 4.16 0.00 2.53 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 3.74 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 8.25 4.23 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 1.67 0.92 0.96 0.00 0.00 27 N 8.18 4.40 0.00 2.88 2.91 0.00 0.00 7.10 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 8.86 4.55 0.00 2.66 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 29 S 7.97 4.09 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 7.85 4.06 0.00 1.93 1.63 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.57 3.87 0.00 1.78 1.77 0.77 1.04 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 32 D 8.52 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 8.13 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.92 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 35 V 7.91 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 0.98 0.00 0.00 0.93 0.00 0.00 36 D 8.17 4.30 0.00 2.83 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 8.33 3.92 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 38 L 8.52 3.88 0.00 1.85 1.74 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.28 4.20 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 40 R 8.21 3.86 0.00 1.81 2.24 0.00 3.24 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.06 4.08 2.07 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 7.94 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 43 Q 8.26 3.74 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.51 3.88 2.17 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 0.88 0.00 0.00 0.99 0.00 0.00 45 K 8.59 4.33 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 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 8.80 4.70 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 7.99 4.81 0.00 2.78 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 8.52 4.71 0.00 2.87 2.99 0.00 0.00 6.91 7.24 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 49 I 7.59 4.93 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.91 4.72 4.32 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 1.51 0.00 0.00 51 V 8.39 4.61 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 0.48 0.00 0.00 0.84 0.00 0.00 52 V 9.04 4.30 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 8.98 4.83 0.00 3.21 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 54 V 8.56 4.31 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 0.76 0.00 0.00 1.05 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 7.96 4.50 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 0.00 57 A 8.48 4.05 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 8.16 4.21 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 8.24 4.09 0.00 2.01 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 7.64 3.88 0.00 1.79 1.71 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.19 0.00 2.03 1.87 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 2.09 0.00 62 L 7.74 4.01 0.00 1.63 1.67 0.91 0.90 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 63 A 7.75 3.99 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 64 T 8.07 3.81 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 1.19 0.00 0.00 65 E 9.05 3.84 0.00 2.01 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 2.34 0.00 66 A 8.05 4.00 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 67 L 7.62 4.06 0.00 1.77 1.64 0.63 0.71 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 68 A 8.44 4.22 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 69 K 8.24 3.92 0.00 1.86 1.91 0.00 1.76 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 1.61 7.81 70 S 8.18 4.20 0.00 3.91 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 0.00 71 G 8.48 3.95 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 0.00 72 K 7.68 3.91 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.96 5.11 0.00 3.08 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 9.20 4.74 0.00 2.55 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 7.32 4.54 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 8.22 4.75 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 0.95 0.00 0.00 0.85 0.00 0.00 77 V 8.74 4.36 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 8.53 4.91 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 79 L 7.99 5.23 0.00 1.39 1.40 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.68 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 8.53 5.06 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 1.20 0.00 0.00 82 V 9.09 4.23 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.78 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 8.53 3.68 0.00 0.67 1.38 0.00 3.07 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 1.18 0.00 85 G 8.34 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 86 G 8.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.47 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 8.34 4.28 0.00 3.27 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.00 0.00 3.11 3.04 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 91 E 7.98 3.59 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 2.18 0.00 92 Y 7.42 4.32 0.00 2.98 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 93 V 7.69 3.65 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 1.04 0.00 0.00 0.74 0.00 0.00 94 A 7.77 4.08 0.90 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 0.00 0.00 95 G 8.16 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 8.71 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 0.00 0.00 0.00 97 A 7.84 4.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.29 4.12 0.00 3.68 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 99 N 8.53 4.43 0.00 2.79 2.83 0.00 0.00 6.95 8.38 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 0.00 100 G 7.72 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 0.00 101 L 8.05 4.00 0.00 2.04 1.82 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.02 3.99 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 0.00 103 S 8.37 3.96 0.00 3.97 4.02 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 0.00 0.00 0.00 104 V 7.77 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 1.04 0.00 0.00 0.91 0.00 0.00 105 A 7.81 4.35 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 0.00 106 Q 7.66 3.91 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.03 4.53 0.00 2.69 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 8.38 4.34 0.00 4.01 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 8.09 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 0.00 0.00 0.00 110 V 7.49 3.99 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 1.01 0.00 0.00 1.03 0.00 0.00 111 P 0.00 4.52 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.83 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 4.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.00 0.00 0.00 113 A 8.90 4.41 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 9.02 4.81 0.00 3.01 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 8.10 3.95 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 0.00 116 V 6.07 4.58 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 0.70 0.00 0.00 -0.05 0.00 0.00 117 L 8.73 4.24 0.00 1.62 1.58 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.52 5.26 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 1.25 0.00 0.00 119 T 8.73 4.62 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 1.23 0.00 0.00 120 E 9.81 4.08 0.00 1.96 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 2.30 0.00 121 S 7.57 4.70 0.00 3.95 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 0.00 122 I 8.22 3.68 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 0.61 0.86 0.00 0.00 123 E 8.27 3.91 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.89 4.16 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.75 4.17 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 0.00 126 I 7.84 3.73 2.01 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 1.89 1.01 0.99 0.00 0.00 127 E 8.05 4.54 0.00 2.25 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 2.39 0.00 128 R 7.95 4.53 0.00 1.87 1.94 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 1.58 1.63 0.00 129 A 7.19 4.79 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 8.06 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 7.50 4.61 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 9.23 3.77 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 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.79 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 0.00 134 G 8.04 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 0.00 135 N 8.25 5.29 0.00 2.70 2.65 0.00 0.00 6.93 7.16 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 0.00 136 K 8.95 4.00 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.29 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 0.00 138 A 7.90 4.03 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 0.00 139 E 8.42 3.88 0.00 2.04 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 8.70 4.06 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 0.00 141 A 8.24 3.90 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 0.00 142 L 8.01 3.93 0.00 1.99 1.72 0.91 0.46 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 1.30 0.00 0.00 144 A 7.90 3.98 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 0.00 145 L 7.80 3.89 0.00 1.86 1.88 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.30 4.17 0.00 2.02 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 8.01 4.04 0.00 2.10 2.36 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 2.88 0.00 148 I 7.76 3.69 2.06 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 0.93 0.92 0.00 0.00 149 N 7.95 4.32 0.00 2.91 2.86 0.00 0.00 6.72 8.80 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 0.00 150 V 7.94 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 1.01 0.00 0.00 151 L 8.41 4.08 0.00 1.93 1.69 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.17 3.86 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 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.28 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 7.79 3.87 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