NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 R 5.1856 8.0600 120.9538 56.3473 34.1772 176.9596 27 L 4.9029 8.9445 119.3109 52.4640 44.7699 171.9979 28 I 4.8131 8.7665 127.2145 59.4593 40.5471 174.1056 29 V 4.5515 8.4837 126.5706 61.0554 34.1101 174.2305 30 V 4.5209 9.1604 128.5429 61.1544 33.2080 175.3929 31 A 4.5484 9.1277 130.7414 52.0123 19.2631 178.1820 32 S 4.2326 8.0864 116.1400 62.3957 62.6551 175.6522 33 L 4.2550 7.8026 118.6667 55.7727 42.0160 176.3392 34 I 4.4196 7.5258 120.7359 60.9498 37.6988 175.5558 35 D 4.5442 9.2809 125.7127 56.2888 41.6501 177.9398 36 K 4.3357 8.4598 120.1055 54.7949 33.4150 176.0377 37 P 4.4473 0.0000 0.0000 66.3515 31.0084 178.6923 38 T 3.8690 7.8970 108.9074 64.7408 68.7330 176.1309 39 N 4.3307 8.0880 118.9503 55.9026 38.6220 177.2533 40 L 4.1313 8.1087 120.5116 57.7264 41.8658 179.8427 41 G 2.5022 8.4151 106.1516 47.2092 0.0000 175.8947 42 G 3.4434 7.8652 108.3815 47.4352 0.0000 175.5433 43 L 3.8642 7.6612 122.9246 57.6199 42.0357 178.4941 44 C 4.0615 8.0329 118.9225 62.4322 31.5048 175.5745 45 R 3.8380 7.6307 119.6327 59.8024 29.6751 178.6129 46 T 3.9036 7.8809 115.4879 66.8708 68.3993 176.4468 47 C 4.2651 8.5431 119.0806 62.7662 28.1517 175.8372 48 E 3.9488 8.2714 120.9023 59.3527 29.0639 178.9841 49 V 3.4587 7.5579 116.9706 65.5365 31.5685 177.0161 50 F 4.9432 7.8361 114.5213 56.4039 39.2036 175.7127 51 G 3.9084 8.1166 106.3053 46.1759 0.0000 174.4873 52 A 4.1749 8.1024 121.8202 52.1059 19.1171 179.0037 53 S 4.5401 8.8233 118.3202 61.5736 63.5646 175.3846 54 V 4.6557 7.5745 116.3960 60.5063 34.6087 172.2671 55 L 5.0876 8.7344 125.1779 53.5003 44.3199 174.9618 56 V 4.6975 8.7978 127.0590 61.6641 33.2816 175.0625 57 V 4.7054 8.7520 120.5470 59.3734 35.2042 177.0042 58 G 3.6035 8.7258 110.4516 48.2781 0.0000 174.4329 59 S 4.6521 7.5322 113.9632 55.8158 65.3549 174.8123 60 L 4.0207 9.2605 128.5254 57.4454 41.2473 179.5329 61 Q 3.9936 7.8834 118.1770 58.7206 28.4459 178.3346 62 C 4.0554 7.8744 115.6789 61.2882 29.2834 176.0035 63 I 2.0014 6.9382 121.2349 62.7268 36.5772 176.8209 64 S 4.5442 7.1263 111.5279 57.8876 63.4363 174.0957 65 D 4.5411 7.8932 121.9543 54.0900 42.7170 177.1577 66 K 4.1754 8.6575 125.7199 59.6882 31.6677 179.6641 67 Q 4.0551 8.7555 118.8890 58.6905 28.6205 178.3197 68 F 4.2261 8.4948 121.1998 61.6558 39.3718 177.0609 69 Q 4.2789 8.6070 119.1471 58.6617 28.2429 178.2501 70 H 4.1923 8.1702 118.5560 59.2773 29.9658 176.8046 71 L 4.1543 7.3647 118.2991 56.7111 41.6078 178.7264 72 S 4.1538 8.1578 113.5419 58.4833 63.8110 174.4040 73 V 3.1403 8.2343 115.7836 62.6477 29.4417 174.3573 74 S 4.1181 8.1179 112.5492 58.6271 61.0329 172.4712 75 A 4.2301 8.3082 125.5461 55.0884 18.2087 179.8896 76 E 4.1519 8.2470 112.5394 58.9711 29.8262 178.2255 77 Q 3.8542 8.0404 118.2617 57.4190 28.7282 176.6159 78 W 4.8548 8.1166 114.8864 55.5980 31.1170 174.7701 79 L 4.7408 7.7962 120.3725 52.1030 43.4626 173.8358 80 P 4.4523 0.0000 0.0000 62.9115 32.3044 175.1216 81 L 5.3690 8.5296 123.6780 52.9256 45.0405 176.1013 82 V 4.4045 8.4451 121.9277 61.0702 35.2294 173.5454 83 E 4.7740 8.7204 128.4910 55.2424 30.6820 175.3387 84 V 4.3024 8.5295 126.5744 60.8245 34.4955 175.0684 85 K 4.2958 9.1302 128.2918 55.4542 33.0311 176.4256 86 P 4.2227 0.0000 0.0000 65.7380 31.0234 177.2267 87 P 4.3662 0.0000 0.0000 64.8070 31.5633 177.5239 88 Q 4.4233 8.1965 116.0201 55.9430 28.9587 177.4927 89 L 4.0803 7.9370 121.8897 57.8227 41.6975 179.1447 90 I 3.7200 7.7931 119.1813 64.7404 37.1403 178.0818 91 D 4.3881 8.0970 119.0372 57.4170 40.6972 178.1254 92 Y 4.0776 8.2096 120.0841 60.7412 38.8691 178.0383 93 L 3.8590 8.4852 120.4005 57.6902 41.6424 179.4285 94 Q 3.9800 8.2084 118.1132 59.0239 28.4932 178.6617 95 Q 3.9299 8.0784 120.4370 59.2372 29.0543 178.6104 96 K 3.9020 7.8820 119.4022 59.1037 31.9722 179.4260 97 K 4.2816 8.4000 120.5661 59.1858 31.8063 179.4224 98 T 3.9842 7.6014 108.1326 64.2322 68.7232 175.4531 99 E 4.3907 7.5777 119.4331 56.2391 29.8887 176.9118 100 G 4.0624 7.8748 107.6400 45.0958 0.0000 173.4490 101 Y 4.3959 8.1720 118.0107 57.8415 39.5925 174.7329 102 T 4.7372 8.8642 120.2797 62.8859 70.5165 174.1004 103 I 4.5225 9.3913 128.6616 60.4794 38.4288 174.9459 104 I 4.7434 8.8542 130.2523 59.2827 39.0848 175.7450 105 G 3.9295 9.0971 116.3048 46.0192 0.0000 172.4058 106 V 4.7153 8.4499 125.7778 61.9795 31.7340 174.3998 107 E 4.7303 8.4848 126.3824 55.5132 33.3052 175.1626 108 Q 4.5512 9.0001 124.1466 54.6414 29.1638 175.4641 109 T 4.6819 8.3529 112.4130 59.5085 72.0770 174.8151 110 A 3.9739 8.6737 125.1846 54.9395 18.4138 178.7186 111 K 4.4207 7.4354 111.3655 56.3692 32.5002 177.0380 112 S 4.5162 7.7357 115.9125 58.6214 63.5704 173.8978 113 L 4.5096 8.7192 123.3817 53.6818 43.6585 175.5849 114 D 4.8000 8.5300 122.5076 53.8510 42.0564 176.7715 115 L 4.1230 9.0526 128.6965 58.4001 42.2709 179.0748 116 T 4.0559 8.5214 107.9781 63.6792 68.6895 174.7513 117 Q 4.4185 8.3268 119.6606 55.5509 29.6066 174.3679 118 Y 4.2636 7.6328 119.9548 55.9285 39.2478 174.6557 119 C 4.4354 7.6933 125.9326 57.9214 28.6997 173.8249 120 F 4.1892 9.0229 125.2029 56.5053 39.1073 174.1333 121 P 4.4753 0.0000 0.0000 62.4199 31.9814 176.2795 122 E 4.1326 8.9873 121.0723 59.6515 29.5693 178.2479 123 K 4.4431 7.7936 121.2171 55.0145 32.0071 174.8919 124 S 5.2839 8.9173 120.2008 56.3463 66.2821 172.6352 125 L 5.2115 8.9668 125.3233 53.2912 45.0554 174.7833 126 L 5.0815 9.0589 126.8223 53.1036 44.0069 175.0607 127 L 4.8643 9.0869 127.2180 53.4704 43.4864 175.4531 128 L 4.6928 8.5058 127.0701 53.9297 42.9377 177.1987 129 G 3.9718 8.4235 110.5572 43.9837 0.0000 173.1633 130 N 4.6821 8.2976 117.7714 52.5601 39.5914 175.7736 131 E 3.9693 8.9140 124.0329 59.5785 29.9129 178.7336 132 R 4.2133 8.2587 115.7635 58.2410 30.6602 177.1671 133 E 4.3921 8.5385 114.0431 55.1179 31.1884 178.3106 134 G 3.7506 8.0816 108.5297 45.9559 0.0000 172.3414 135 I 4.5305 8.1033 123.2013 59.3849 38.3749 174.7668 136 P 4.4970 0.0000 0.0000 62.3110 33.6003 177.1115 137 A 4.0186 8.5782 121.1504 55.4614 18.0377 179.8775 138 N 4.3452 8.0759 114.2805 55.9837 37.6410 176.9682 139 L 4.1987 7.8279 120.7504 57.3530 42.0007 178.7412 140 I 3.6846 7.8740 119.8221 64.7179 36.8322 178.3754 141 Q 4.0667 7.8497 117.0572 58.6684 28.6539 177.4687 142 Q 4.2756 7.9146 115.0689 56.6646 29.2933 176.3064 143 L 4.3165 7.3880 118.2827 54.5332 42.3191 176.8591 144 D 4.7211 8.7043 122.0843 57.3541 41.4755 177.0262 145 V 4.4051 7.3741 114.7251 61.0273 34.5469 171.9321 146 C 5.2482 8.4298 118.9329 57.9578 31.6683 172.9386 147 V 4.6586 8.7823 122.8633 60.9138 34.0484 173.7192 148 E 4.9795 9.1357 128.3644 54.3647 32.7051 174.4832 149 I 4.3722 8.3032 127.3544 59.6630 38.0938 174.1023 150 P 4.4702 0.0000 0.0000 62.6262 32.1175 175.5761 151 Q 4.7806 8.3866 118.5387 54.4313 32.0773 175.2186 152 Q 4.4953 8.6339 117.4820 56.2753 31.3130 176.3370 153 G 4.0240 7.7707 105.5524 44.7660 0.0000 172.4470 154 I 4.1665 8.0811 117.9441 62.2659 37.4629 176.7630 155 I 3.8514 7.5267 121.6776 60.9964 37.5551 176.9494 156 R 4.0261 8.6256 125.1562 59.2999 30.1709 176.1511 157 S 4.5608 7.1294 106.1511 57.3064 65.9085 173.8096 158 L 4.4011 8.0922 121.0543 53.4827 42.6991 177.0831 159 N 4.4867 8.4157 118.2598 53.7502 40.7223 176.1746 160 V 3.6322 8.3090 126.2668 65.1218 31.6804 178.1488 161 H 4.2003 8.3032 118.4490 59.0046 29.7855 177.1738 162 V 3.4910 8.1210 120.0049 66.0466 31.3904 177.9441 163 S 4.2486 8.3835 115.1862 61.7170 62.7067 177.0247 164 G 3.6400 8.4328 108.1579 47.7694 0.0000 175.2664 165 A 4.1537 8.5445 123.8880 55.1106 18.2955 179.7786 166 L 4.1102 8.1959 117.3006 58.0760 41.6513 179.8397 167 L 4.1716 8.0351 118.8319 57.6715 41.5151 179.5782 168 I 3.5566 8.2142 120.3669 63.9677 37.0024 178.2367 169 W 3.5716 8.4067 129.5232 60.2916 30.5496 177.6090 170 E 3.3884 8.2477 119.3710 59.1108 29.0577 178.0042 171 Y 3.3812 7.7245 119.8440 60.7490 38.7439 178.3127 172 T 3.6370 7.6675 116.4723 66.4668 68.5518 176.3866 173 R 3.2531 7.3247 120.7460 59.4800 29.9059 178.5473 174 Q 3.8446 7.6539 117.5257 58.9158 28.7563 178.8818 175 Q 3.6818 7.6671 119.0517 58.6931 28.4631 178.5248 176 L 3.9215 7.8173 119.2641 57.9910 41.7569 179.4506 177 L 4.1692 7.7492 120.0065 58.2607 41.6048 179.9832 178 S 4.3276 7.9045 117.6022 62.1410 62.3542 177.0677 179 H 4.6930 7.9095 121.0647 56.3738 28.7961 174.0886 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 26 R 8.06 5.19 0.00 2.02 1.18 0.00 3.29 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.68 0.00 27 L 8.94 4.90 0.00 1.03 1.24 0.21 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.77 4.81 1.65 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.33 0.90 0.00 0.00 29 V 8.48 4.55 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 1.02 0.00 0.00 0.91 0.00 0.00 30 V 9.16 4.52 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 0.92 0.00 0.00 1.04 0.00 0.00 31 A 9.13 4.55 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 32 S 8.09 4.23 0.00 3.84 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 33 L 7.80 4.26 0.00 1.85 1.70 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.53 4.42 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.49 1.02 0.00 0.00 35 D 9.28 4.54 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 36 K 8.46 4.34 0.00 1.90 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 37 P 0.00 4.45 0.00 2.36 2.43 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.08 0.00 38 T 7.90 3.87 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 39 N 8.09 4.33 0.00 2.94 2.93 0.00 0.00 7.12 6.74 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 40 L 8.11 4.13 0.00 2.11 2.01 1.05 0.76 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 41 G 8.42 2.50 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 42 G 7.87 3.44 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 0.00 43 L 7.66 3.86 0.00 1.84 1.78 1.00 0.71 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 44 C 8.03 4.06 0.00 3.08 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 R 7.63 3.84 0.00 1.85 2.00 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 46 T 7.88 3.90 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 47 C 8.54 4.27 0.00 3.19 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 48 E 8.27 3.95 0.00 2.20 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 0.00 2.43 2.77 0.00 49 V 7.56 3.46 1.81 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 0.22 0.00 0.00 0.78 0.00 0.00 50 F 7.84 4.94 0.00 3.31 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 51 G 8.12 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 52 A 8.10 4.17 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 53 S 8.82 4.54 0.00 3.92 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 54 V 7.57 4.66 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 0.64 0.00 0.00 1.02 0.00 0.00 55 L 8.73 5.09 0.00 1.82 1.59 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.80 4.70 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 0.58 0.00 0.00 0.87 0.00 0.00 57 V 8.75 4.71 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 0.71 0.00 0.00 0.91 0.00 0.00 58 G 8.73 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.53 4.65 0.00 3.77 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 60 L 9.26 4.02 0.00 1.63 1.62 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.88 3.99 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 62 C 7.87 4.06 0.00 3.13 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 63 I 6.94 2.00 1.60 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 0.74 0.00 0.00 64 S 7.13 4.54 0.00 3.91 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 65 D 7.89 4.54 0.00 2.71 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 66 K 8.66 4.18 0.00 1.86 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.54 7.81 67 Q 8.76 4.06 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 68 F 8.49 4.23 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.61 4.28 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 70 H 8.17 4.19 0.00 3.25 3.52 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 L 7.36 4.15 0.00 1.52 1.62 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.16 4.15 0.00 3.90 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.23 3.14 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 0.64 0.00 0.00 0.90 0.00 0.00 74 S 8.12 4.12 0.00 4.22 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 75 A 8.31 4.23 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 76 E 8.25 4.15 0.00 2.18 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 0.00 2.31 2.34 0.00 77 Q 8.04 3.85 0.00 1.44 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 78 W 8.12 4.85 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 79 L 7.80 4.74 0.00 1.66 1.70 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.45 0.00 2.27 2.00 0.00 3.64 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 2.30 2.17 0.00 81 L 8.53 5.37 0.00 1.47 1.51 1.01 0.97 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 82 V 8.45 4.40 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 0.90 0.00 0.00 0.93 0.00 0.00 83 E 8.72 4.77 0.00 1.94 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 0.00 2.17 2.35 0.00 84 V 8.53 4.30 1.65 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 0.70 0.00 0.00 -0.02 0.00 0.00 85 K 9.13 4.30 0.00 1.83 1.68 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.36 7.81 86 P 0.00 4.22 0.00 2.14 2.12 0.00 3.58 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 2.11 2.37 0.00 87 P 0.00 4.37 0.00 2.01 2.12 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 88 Q 8.20 4.42 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 89 L 7.94 4.08 0.00 1.84 1.76 0.92 0.57 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 90 I 7.79 3.72 1.89 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 1.66 0.70 0.93 0.00 0.00 91 D 8.10 4.39 0.00 2.73 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 92 Y 8.21 4.08 0.00 3.12 3.17 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 0.00 0.00 0.00 0.00 93 L 8.49 3.86 0.00 1.71 1.70 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.21 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 95 Q 8.08 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 96 K 7.88 3.90 0.00 1.65 1.58 0.00 1.08 0.00 0.00 1.52 0.00 0.00 2.51 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.69 0.81 7.81 97 K 8.40 4.28 0.00 2.00 1.88 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.33 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.53 7.81 98 T 7.60 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 1.30 0.00 0.00 99 E 7.58 4.39 0.00 2.24 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 2.35 2.52 0.00 100 G 7.87 4.06 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 0.00 0.00 0.00 101 Y 8.17 4.40 0.00 3.03 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 0.00 102 T 8.86 4.74 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 1.34 0.00 0.00 103 I 9.39 4.52 1.90 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 1.42 1.03 0.94 0.00 0.00 104 I 8.85 4.74 2.09 0.00 0.00 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 1.22 0.91 0.83 0.00 0.00 105 G 9.10 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 0.00 106 V 8.45 4.72 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 0.78 0.00 0.00 1.01 0.00 0.00 107 E 8.48 4.73 0.00 1.95 1.72 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 2.16 2.26 0.00 108 Q 9.00 4.55 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 109 T 8.35 4.68 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 1.20 0.00 0.00 110 A 8.67 3.97 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 0.00 111 K 7.44 4.42 0.00 1.79 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.53 7.81 112 S 7.74 4.52 0.00 4.00 3.75 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 0.00 113 L 8.72 4.51 0.00 1.46 1.60 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.53 4.80 0.00 2.73 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 0.00 115 L 9.05 4.12 0.00 1.88 1.71 1.15 1.03 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 0.00 116 T 8.52 4.06 4.27 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 1.26 0.00 0.00 117 Q 8.33 4.42 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 118 Y 7.63 4.26 0.00 2.87 2.65 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 0.00 119 C 7.69 4.44 0.00 2.72 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 0.00 120 F 9.02 4.19 0.00 3.02 3.26 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 0.00 121 P 0.00 4.48 0.00 2.16 2.03 0.00 4.03 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 122 E 8.99 4.13 0.00 1.96 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 2.47 2.34 0.00 123 K 7.79 4.44 0.00 1.47 0.74 0.00 1.21 0.00 0.00 1.01 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.10 1.24 7.81 124 S 8.92 5.28 0.00 3.75 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 0.00 125 L 8.97 5.21 0.00 1.59 1.65 0.77 0.45 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 0.00 126 L 9.06 5.08 0.00 1.60 1.59 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 127 L 9.09 4.86 0.00 1.73 1.56 0.95 0.53 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 0.00 128 L 8.51 4.69 0.00 1.61 1.60 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.42 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 0.00 130 N 8.30 4.68 0.00 2.86 2.83 0.00 0.00 7.11 7.14 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 0.00 131 E 8.91 3.97 0.00 1.99 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 2.34 2.43 0.00 132 R 8.26 4.21 0.00 1.93 1.98 0.00 3.19 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 133 E 8.54 4.39 0.00 1.95 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 0.00 2.39 2.38 0.00 134 G 8.08 3.75 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 0.00 0.00 0.00 135 I 8.10 4.53 1.87 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 1.36 0.63 0.92 0.00 0.00 136 P 0.00 4.50 0.00 2.45 2.18 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 137 A 8.58 4.02 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 0.00 138 N 8.08 4.35 0.00 2.89 2.97 0.00 0.00 6.05 7.79 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 0.00 139 L 7.83 4.20 0.00 1.86 1.76 0.93 0.90 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 0.00 140 I 7.87 3.68 2.01 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 1.71 0.92 0.91 0.00 0.00 141 Q 7.85 4.07 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 142 Q 7.91 4.28 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 143 L 7.39 4.32 0.00 1.73 1.74 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.70 4.72 0.00 2.78 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 0.00 145 V 7.37 4.41 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 0.80 0.00 0.00 0.84 0.00 0.00 146 C 8.43 5.25 0.00 2.81 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 0.00 147 V 8.78 4.66 1.81 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 0.75 0.00 0.00 -0.16 0.00 0.00 148 E 9.14 4.98 0.00 2.12 1.70 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 2.18 2.24 0.00 149 I 8.30 4.37 1.89 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 1.45 0.71 0.95 0.00 0.00 150 P 0.00 4.47 0.00 2.19 2.23 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 151 Q 8.39 4.78 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 152 Q 8.63 4.50 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 153 G 7.77 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 0.00 0.00 0.00 154 I 8.08 4.17 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 1.42 0.91 0.91 0.00 0.00 155 I 7.53 3.85 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 1.30 1.12 0.96 0.00 0.00 156 R 8.63 4.03 0.00 1.77 1.96 0.00 3.28 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 157 S 7.13 4.56 0.00 3.99 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 0.00 158 L 8.09 4.40 0.00 1.67 1.65 0.94 0.99 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 0.00 159 N 8.42 4.49 0.00 2.76 2.69 0.00 0.00 6.63 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 0.00 160 V 8.31 3.63 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 0.98 0.00 0.00 161 H 8.30 4.20 0.00 3.34 3.53 0.00 5.70 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 0.00 162 V 8.12 3.49 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 1.04 0.00 0.00 0.87 0.00 0.00 163 S 8.38 4.25 0.00 4.10 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 0.00 164 G 8.43 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 0.00 165 A 8.54 4.15 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 0.00 166 L 8.20 4.11 0.00 1.93 1.84 0.96 0.56 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 0.00 167 L 8.04 4.17 0.00 1.85 1.85 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 168 I 8.21 3.56 2.03 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 1.39 0.69 0.98 0.00 0.00 169 W 8.41 3.57 0.00 2.98 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 0.00 170 E 8.25 3.39 0.00 2.29 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 0.00 2.52 2.65 0.00 171 Y 7.72 3.38 0.00 1.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.67 3.64 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 1.25 0.00 0.00 173 R 7.32 3.25 0.00 0.67 1.33 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 174 Q 7.65 3.84 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 175 Q 7.67 3.68 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 176 L 7.82 3.92 0.00 1.59 1.69 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.75 4.17 0.00 1.75 1.67 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 178 S 7.90 4.33 0.00 3.73 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 0.00 179 H 7.91 4.69 0.00 3.14 3.19 0.00 5.85 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