NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.4294 8.1693 122.5054 54.9894 43.2230 176.7910 9 Q 4.1770 8.5007 125.8099 54.8088 30.6709 172.9359 10 S 4.7777 9.0628 110.1044 57.9987 65.3770 175.9268 11 Q 4.7238 7.6490 117.7726 54.2994 30.9514 174.9158 12 F 4.7747 8.5558 121.9263 55.7561 43.0419 175.0594 13 F 4.6799 9.2877 121.6540 55.8144 41.4663 176.3066 14 I 3.6446 8.7410 118.7695 64.7736 37.1229 177.2550 15 E 4.0402 8.2167 116.9922 59.6923 29.8068 178.4572 16 H 4.8763 8.5059 117.2570 58.8228 28.8734 177.7271 17 I 4.0361 7.9652 121.1971 64.4825 36.7274 178.3175 18 L 4.0098 8.0551 119.0489 57.5063 41.4117 178.8416 19 Q 4.1909 8.1407 116.5013 56.8499 28.6522 177.2687 20 I 3.6153 7.3311 118.9476 62.6646 38.5723 176.0003 21 L 4.1752 7.8250 120.0242 53.7469 42.0213 175.7197 22 P 4.3850 0.0000 0.0000 64.0778 32.0304 176.3871 23 H 4.2155 8.0507 117.0174 56.0546 29.2269 174.3977 24 R 4.7549 8.0930 120.8373 53.8687 34.1637 173.7874 25 Y 4.2663 8.6000 119.8722 57.7803 39.2313 174.4496 26 P 3.9512 0.0000 0.0000 62.8802 31.4796 175.4745 27 M 4.5140 8.5177 114.6368 55.6953 33.6912 176.0771 28 L 4.3925 7.8466 121.6701 54.0727 41.4199 176.2516 29 L 4.8132 8.2818 129.4677 54.0728 42.4207 177.3481 30 V 4.4648 7.6013 117.4978 61.6281 34.0935 173.8186 31 D 4.6325 8.6696 127.3820 55.9692 42.1567 177.0707 32 R 4.4612 7.0249 116.3637 54.8832 34.0964 173.6546 33 I 4.5910 8.4547 126.6248 60.1249 38.5204 176.2279 34 T 4.2912 8.9391 117.8593 62.5417 70.6740 174.9633 35 E 4.7606 7.9459 121.9606 54.2319 33.4243 174.0928 36 L 5.1231 9.0025 128.3242 53.8829 45.4944 175.0280 37 Q 4.6652 9.5143 125.7409 53.6797 31.4100 175.0789 38 A 4.0095 8.8707 126.7967 54.1099 18.6205 176.8060 39 N 4.5547 9.1914 118.2701 54.1488 37.5784 174.0077 40 Q 4.6932 8.3840 115.9429 56.5528 31.5795 175.3894 41 K 4.9935 7.8152 115.1836 56.5426 36.0926 173.3317 42 I 5.0945 8.7533 120.0232 59.8268 42.0893 173.4961 43 V 5.0146 9.1601 127.4594 61.3685 34.6519 174.2796 44 A 5.0601 8.8677 128.7125 51.6161 23.3611 173.4423 45 Y 4.8286 8.3333 114.2137 56.2814 42.0953 173.7192 46 K 4.8397 8.7329 121.1252 54.6461 35.4301 175.1281 47 N 4.8733 9.4971 125.6139 53.2835 39.6972 174.5888 48 I 4.5500 8.5466 123.5685 59.9969 38.1778 174.6880 49 T 4.9667 9.0357 121.4557 59.9214 70.4519 174.7081 50 F 4.1180 9.0169 127.9763 61.0384 39.7630 175.8943 51 N 4.7335 7.5685 117.3748 53.7052 38.3566 174.2379 52 E 4.7928 7.9955 115.9498 53.8089 32.7392 176.7552 53 D 4.3416 8.9755 122.7264 57.6137 41.0761 178.8651 54 V 3.3875 7.6416 118.9286 64.8727 31.2025 177.9563 55 F 4.4284 7.8256 117.3666 59.5488 38.4702 177.1304 56 N 4.6825 8.1996 116.1976 55.0865 38.3077 175.7658 57 G 4.1006 7.5712 105.8713 45.2852 0.0000 173.2770 58 H 3.4594 7.7338 118.2561 54.0539 30.3228 171.4034 59 F 5.2553 9.1310 121.9502 54.1547 43.5052 172.9078 60 P 4.6091 0.0000 0.0000 64.4557 31.3245 176.2085 61 N 4.3079 8.9776 118.5723 53.8389 36.5717 174.9663 62 K 4.5362 7.8153 113.3373 55.0345 34.5664 171.2254 63 P 4.9107 0.0000 0.0000 62.8987 32.2592 177.2734 64 I 4.9533 9.2024 125.5383 59.3744 40.9198 174.7849 65 F 4.1043 9.6950 131.3461 57.4896 40.0564 173.2602 66 P 3.7827 0.0000 0.0000 62.9792 32.0179 177.2237 67 G 2.9004 8.5086 109.6583 47.9483 0.0000 176.1194 68 V 3.7783 7.4960 114.1895 64.0809 31.4531 178.4776 69 L 4.0188 7.5007 118.3813 57.3977 41.3217 179.4912 70 I 4.1446 7.6327 119.8201 64.3980 36.9825 178.5590 71 V 3.7528 7.9518 118.7873 65.9058 31.3871 177.4651 72 E 4.2704 8.4011 119.3402 59.3774 29.4872 179.0344 73 G 3.5409 8.2654 107.2902 47.4788 0.0000 175.6158 74 M 3.6686 7.8237 120.7516 57.7442 31.9458 178.7409 75 A 3.8212 8.0764 121.2258 55.2391 18.5011 179.7502 76 Q 3.8712 8.0987 116.7707 59.0157 28.6747 179.2021 77 S 4.1525 7.8456 116.4369 61.3769 62.8063 176.9201 78 G 3.6559 8.1483 108.6451 47.8159 0.0000 175.9339 79 G 3.5709 8.4725 108.8049 47.4203 0.0000 175.5435 80 F 3.8968 8.2587 122.9481 60.6595 39.3270 177.1751 81 L 3.8562 7.8837 119.9333 57.9209 42.0004 178.5146 82 A 2.0000 7.6292 121.0372 54.3744 18.0399 179.2332 83 F 3.9094 7.8536 119.0064 61.7586 39.5254 177.4725 84 T 4.1557 7.3887 110.0173 64.2602 68.0838 176.4823 85 S 4.0688 7.6550 117.4731 61.2516 62.8851 176.2131 86 L 3.7950 7.1505 120.5907 56.4045 41.5487 177.8813 87 W 4.5325 7.7474 114.3295 55.0831 31.0194 177.2944 88 G 3.8326 7.8793 108.3540 44.9922 0.0000 173.1185 89 F 4.7041 8.7590 119.8718 57.2263 37.9991 174.3179 90 D 4.7029 8.0032 124.3909 50.2997 41.8507 174.0664 91 P 4.2156 0.0000 0.0000 64.2547 31.2350 177.3829 92 E 3.8197 8.0318 116.6944 59.6721 29.8545 178.6891 93 I 3.7208 8.2399 119.2832 63.8149 36.7992 178.1954 94 A 3.3971 7.9821 121.6079 54.4730 17.7601 179.6449 95 K 3.9132 7.5236 116.1491 58.7871 32.3460 177.8899 96 T 4.3013 7.4004 108.4311 61.3571 69.0100 173.7787 97 K 5.6762 7.6214 120.2444 53.9589 36.4482 174.7621 98 I 4.6149 8.0072 113.4671 59.6896 41.6144 173.5580 99 V 4.8622 8.0542 121.3502 61.2633 34.0552 173.9064 100 Y 4.8331 9.0860 124.9734 56.0976 40.7169 175.0300 101 F 4.5331 9.1573 123.0477 58.1861 39.3951 174.3745 102 M 4.7723 9.4993 123.1718 56.8331 33.7811 176.2710 103 T 4.8920 7.8173 106.4892 60.4521 72.7736 172.4045 104 I 5.2676 8.1802 121.9790 60.1467 41.2210 174.2567 105 D 4.6601 9.6127 124.7030 52.8073 46.1024 174.8945 106 K 3.9765 8.5094 116.4146 57.3586 29.8572 175.5511 107 V 4.8026 7.5118 116.4524 60.1811 33.0629 175.6353 108 K 4.3755 8.2003 122.3298 54.5202 36.3896 175.2274 109 F 5.1556 8.6451 122.7891 56.3330 39.4335 175.2640 110 R 4.3607 8.8826 124.0725 57.9613 30.9416 177.8620 111 I 4.6959 7.6278 117.8928 58.3788 40.8660 173.1231 112 P 4.5138 0.0000 0.0000 63.0473 32.1582 175.5469 113 V 4.6980 8.5498 122.3182 61.7279 33.7144 174.4987 114 T 5.1451 9.2083 117.1036 58.7537 72.8380 171.4054 115 P 4.4198 0.0000 0.0000 64.7719 31.5775 177.1437 116 G 3.9841 9.4820 111.7057 45.0278 0.0000 173.3268 117 D 4.5934 7.8626 119.8898 53.7978 42.6751 175.8824 118 R 4.5926 8.2761 122.4696 54.3847 30.8082 174.7842 119 L 3.9910 8.4177 128.8686 54.6671 42.9196 174.7607 120 E 4.6759 9.2067 129.2093 55.0758 31.3718 174.1061 121 Y 5.3061 8.9763 125.4126 56.9387 40.3670 174.3530 122 H 5.2230 9.6086 121.6164 54.1424 31.7458 172.6624 123 L 5.4410 9.0437 123.5310 52.7081 45.7522 175.8128 124 E 5.1797 8.9658 119.8604 54.3696 33.3543 175.0124 125 V 4.2000 8.7424 122.1900 62.8171 31.4042 175.8279 126 L 4.3505 9.2617 129.2370 57.0720 42.5475 177.2439 127 K 4.3650 7.8069 116.2691 56.1879 35.4146 173.5821 128 H 4.6780 8.1818 119.7231 54.3217 31.4776 173.2308 129 K 4.0449 8.6921 123.8374 55.4217 34.5387 176.5727 130 G 3.9375 8.0220 119.0964 47.3283 0.0000 175.0109 131 M 4.4535 8.7482 125.9893 56.2693 32.4189 175.0539 132 I 4.7806 7.6986 121.0297 60.1949 38.5461 174.8452 133 W 5.0619 9.4173 127.4915 54.7083 32.7344 174.4219 134 Q 5.0512 9.6629 125.9710 54.6417 30.6778 174.6086 135 V 5.0980 8.8975 119.8149 59.8525 35.8501 175.0683 136 G 4.4038 8.4679 108.6027 44.9184 0.0000 172.7854 137 G 4.8653 8.6190 110.0401 46.0920 0.0000 171.7761 138 T 5.3892 7.9143 111.7164 60.2239 73.4022 172.7944 139 A 5.3698 9.0662 123.1819 50.3398 21.8670 175.4514 140 Q 5.1173 9.7888 121.6804 54.0115 33.4755 174.8151 141 V 4.5443 8.3033 121.5042 61.1330 34.3844 175.1747 142 D 4.1794 9.5421 129.3886 55.4381 39.2368 174.1484 143 G 3.9280 8.1244 103.7579 45.7212 0.0000 173.1385 144 K 4.4977 7.5610 119.8329 54.0805 33.9791 175.9075 145 V 4.1584 8.3314 123.2046 63.1650 31.8882 175.4359 146 V 4.3076 9.0134 127.7710 64.3638 33.3176 175.0950 147 A 5.1857 7.6876 119.4469 51.0656 22.6373 174.9543 148 E 5.1824 8.6881 117.7238 54.9434 34.1712 174.8474 149 A 4.6930 8.1874 120.9329 51.6272 23.6451 175.1359 150 E 5.2790 8.7828 118.4852 54.7209 33.8839 175.0380 151 L 5.1345 9.1352 122.5153 54.5911 44.7135 174.0944 152 K 5.1247 9.2556 121.0553 54.7884 35.1955 174.8760 153 A 5.3309 9.1894 128.1797 50.3163 23.3261 174.0127 154 M 5.3068 9.0737 117.7798 54.2203 35.9804 173.7933 155 I 4.9758 8.6189 126.6300 60.1844 38.6914 175.0393 156 A 4.9773 8.8010 127.7238 49.7293 22.9428 175.0810 157 E 4.4911 8.8257 118.6434 56.7126 29.7427 177.9676 158 R 3.9811 8.6800 124.3109 59.2167 30.9462 177.4643 *159 E 4.1318 8.0356 119.0729 56.0121 30.4770 180.4481 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 8 L 8.17 4.43 0.00 1.71 1.76 1.19 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.50 4.18 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 1.54 1.25 0.00 10 S 9.06 4.78 0.00 3.86 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 11 Q 7.65 4.72 0.00 1.79 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.46 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 12 F 8.56 4.77 0.00 2.82 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 13 F 9.29 4.68 0.00 3.09 3.05 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 14 I 8.74 3.64 1.90 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 1.72 1.25 0.97 0.00 0.00 15 E 8.22 4.04 0.00 2.16 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 0.00 2.22 2.13 0.00 16 H 8.51 4.88 0.00 3.75 3.89 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.97 4.04 2.01 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.89 0.00 0.00 18 L 8.06 4.01 0.00 1.96 1.77 0.95 0.85 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 19 Q 8.14 4.19 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 20 I 7.33 3.62 1.92 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 1.67 0.61 0.24 0.00 0.00 21 L 7.82 4.18 0.00 1.74 1.63 0.92 1.43 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 22 P 0.00 4.39 0.00 2.02 2.15 0.00 3.77 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 23 H 8.05 4.22 0.00 3.09 3.40 0.00 5.84 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 24 R 8.09 4.75 0.00 1.79 1.84 0.00 3.32 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 25 Y 8.60 4.27 0.00 2.93 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 26 P 0.00 3.95 0.00 1.59 0.54 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 27 M 8.52 4.51 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 28 L 7.85 4.39 0.00 1.65 1.65 0.90 1.02 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 29 L 8.28 4.81 0.00 1.73 1.84 0.97 0.93 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 30 V 7.60 4.46 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 0.74 0.00 0.00 0.82 0.00 0.00 31 D 8.67 4.63 0.00 2.34 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.02 4.46 0.00 1.38 0.67 0.00 3.27 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.00 33 I 8.45 4.59 2.03 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.23 0.97 0.00 0.00 34 T 8.94 4.29 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 1.33 0.00 0.00 35 E 7.95 4.76 0.00 2.03 1.80 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 2.30 2.31 0.00 36 L 9.00 5.12 0.00 1.87 1.73 1.19 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.51 4.67 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 38 A 8.87 4.01 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 39 N 9.19 4.55 0.00 2.92 2.93 0.00 0.00 6.83 7.26 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 40 Q 8.38 4.69 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 41 K 7.82 4.99 0.00 1.94 1.93 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.47 7.81 42 I 8.75 5.09 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.48 1.02 0.00 0.00 43 V 9.16 5.01 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 0.89 0.00 0.00 0.98 0.00 0.00 44 A 8.87 5.06 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 45 Y 8.33 4.83 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.73 4.84 0.00 2.06 1.57 0.00 1.94 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.31 1.46 7.81 47 N 9.50 4.87 0.00 2.70 2.78 0.00 0.00 6.94 7.60 0.00 0.00 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 I 8.55 4.55 1.92 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 1.08 1.06 1.09 0.00 0.00 49 T 9.04 4.97 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 1.39 0.00 0.00 50 F 9.02 4.12 0.00 2.90 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 51 N 7.57 4.73 0.00 2.79 2.87 0.00 0.00 6.99 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.00 4.79 0.00 2.21 1.79 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 2.39 2.56 0.00 53 D 8.98 4.34 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.64 3.39 1.76 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 0.16 0.00 0.00 0.47 0.00 0.00 55 F 7.83 4.43 0.00 3.08 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 56 N 8.20 4.68 0.00 2.82 2.88 0.00 0.00 6.68 7.27 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 57 G 7.57 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 58 H 7.73 3.46 0.00 2.74 2.72 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.13 5.26 0.00 3.13 2.92 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 60 P 0.00 4.61 0.00 2.13 2.08 0.00 4.04 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.36 0.00 61 N 8.98 4.31 0.00 2.91 2.92 0.00 0.00 6.84 7.61 0.00 0.00 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 K 7.82 4.54 0.00 1.85 1.77 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.45 7.81 63 P 0.00 4.91 0.00 1.54 2.12 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 64 I 9.20 4.95 2.21 0.00 0.00 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 1.29 1.07 1.10 0.00 0.00 65 F 9.69 4.10 0.00 3.21 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 66 P 0.00 3.78 0.00 1.61 1.49 0.00 2.48 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.00 67 G 8.51 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 0.00 0.00 0.00 68 V 7.50 3.78 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 0.83 0.00 0.00 0.76 0.00 0.00 69 L 7.50 4.02 0.00 1.06 1.33 0.36 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.63 4.14 2.31 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.15 1.23 0.00 0.00 71 V 7.95 3.75 2.35 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 1.24 0.00 0.00 1.13 0.00 0.00 72 E 8.40 4.27 0.00 2.21 2.20 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 2.34 2.51 0.00 73 G 8.27 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.82 3.67 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.76 0.00 75 A 8.08 3.82 1.04 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 0.00 0.00 76 Q 8.10 3.87 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 1.98 2.46 0.00 77 S 7.85 4.15 0.00 3.92 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 78 G 8.15 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.47 3.57 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 0.00 0.00 0.00 80 F 8.26 3.90 0.00 3.18 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 81 L 7.88 3.86 0.00 1.84 1.76 1.01 1.02 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 82 A 7.63 2.00 0.01 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 83 F 7.85 3.91 0.00 3.13 2.82 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 84 T 7.39 4.16 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 0.69 0.00 0.00 85 S 7.65 4.07 0.00 3.85 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 86 L 7.15 3.79 0.00 1.19 0.13 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.75 4.53 0.00 2.42 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 88 G 7.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.76 4.70 0.00 3.18 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 90 D 8.00 4.70 0.00 2.89 2.58 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 91 P 0.00 4.22 0.00 2.06 1.90 0.00 3.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.22 0.00 92 E 8.03 3.82 0.00 1.90 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 0.00 2.23 2.37 0.00 93 I 8.24 3.72 1.61 0.00 0.00 0.61 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 0.64 -0.14 0.00 0.00 94 A 7.98 3.40 0.65 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 95 K 7.52 3.91 0.00 1.75 1.79 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.62 7.81 96 T 7.40 4.30 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 1.12 0.00 0.00 97 K 7.62 5.68 0.00 1.46 1.69 0.00 1.35 0.00 0.00 1.54 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 I 8.01 4.61 1.63 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.80 0.00 0.00 99 V 8.05 4.86 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 0.83 0.00 0.00 0.89 0.00 0.00 100 Y 9.09 4.83 0.00 2.98 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 0.00 101 F 9.16 4.53 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 9.50 4.77 0.00 1.92 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 103 T 7.82 4.89 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 104 I 8.18 5.27 1.83 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 0.92 0.00 0.00 105 D 9.61 4.66 0.00 2.59 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 0.00 106 K 8.51 3.98 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.35 7.81 107 V 7.51 4.80 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 0.78 0.00 0.00 0.31 0.00 0.00 108 K 8.20 4.38 0.00 1.61 1.63 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.36 7.81 109 F 8.65 5.16 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.88 4.36 0.00 1.79 2.03 0.00 3.14 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 111 I 7.63 4.70 1.94 0.00 0.00 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 1.52 0.65 0.96 0.00 0.00 112 P 0.00 4.51 0.00 2.16 2.13 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 113 V 8.55 4.70 2.32 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 1.16 0.00 0.00 1.05 0.00 0.00 114 T 9.21 5.15 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 1.32 0.00 0.00 115 P 0.00 4.42 0.00 1.98 2.12 0.00 3.52 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.26 0.00 116 G 9.48 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.86 4.59 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 4.59 0.00 1.67 1.71 0.00 2.91 0.00 0.00 2.87 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.34 0.00 119 L 8.42 3.99 0.00 1.62 1.38 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.21 4.68 0.00 1.94 1.87 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 2.08 2.32 0.00 121 Y 8.98 5.31 0.00 2.96 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 0.00 122 H 9.61 5.22 0.00 3.19 3.25 0.00 5.56 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 0.00 123 L 9.04 5.44 0.00 1.62 1.56 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.97 5.18 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 125 V 8.74 4.20 2.30 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 0.81 0.00 0.00 1.26 0.00 0.00 126 L 9.26 4.35 0.00 1.68 1.72 0.96 0.98 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 0.00 127 K 7.81 4.36 0.00 1.72 1.53 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.18 7.81 128 H 8.18 4.68 0.00 1.40 2.16 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.69 4.04 0.00 1.54 1.55 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.24 1.24 7.81 130 G 8.02 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 0.00 131 M 8.75 4.45 0.00 2.54 2.24 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.63 0.00 132 I 7.70 4.78 1.97 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 1.29 0.79 0.95 0.00 0.00 133 W 9.42 5.06 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 9.66 5.05 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 135 V 8.90 5.10 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 0.84 0.00 0.00 1.03 0.00 0.00 136 G 8.47 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 0.00 137 G 8.62 4.87 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 0.00 0.00 0.00 138 T 7.91 5.39 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 139 A 9.07 5.37 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 0.00 140 Q 9.79 5.12 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 141 V 8.30 4.54 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 0.97 0.00 0.00 0.92 0.00 0.00 142 D 9.54 4.18 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.12 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 0.00 144 K 7.56 4.50 0.00 2.00 1.72 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.34 7.81 145 V 8.33 4.16 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 0.82 0.00 0.00 0.94 0.00 0.00 146 V 9.01 4.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 147 A 7.69 5.19 1.45 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 0.00 148 E 8.69 5.18 0.00 1.86 1.79 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 2.23 2.25 0.00 149 A 8.19 4.69 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 0.00 150 E 8.78 5.28 0.00 2.04 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 2.24 2.24 0.00 151 L 9.14 5.13 0.00 2.12 1.95 0.85 0.63 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 0.00 152 K 9.26 5.12 0.00 1.89 1.74 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.54 7.81 153 A 9.19 5.33 1.10 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 0.00 154 M 9.07 5.31 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 155 I 8.62 4.98 2.12 0.00 0.00 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 1.24 0.79 1.18 0.00 0.00 156 A 8.80 4.98 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 0.00 157 E 8.83 4.49 0.00 1.90 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 2.35 2.31 0.00 158 R 8.68 3.98 0.00 1.78 1.97 0.00 3.30 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 *159 E 8.04 4.13 0.00 1.76 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.