NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3355 8.3149 120.1420 55.4666 33.8162 175.2748 2 P 4.3810 0.0000 0.0000 61.5327 32.2149 176.5468 3 G 3.6683 9.0831 111.7804 48.4299 0.0000 175.2278 4 A 3.9825 8.1998 122.1082 55.6689 18.2184 178.4759 5 M 3.9617 7.5920 112.8273 57.4486 31.7748 176.7763 6 Y 4.8742 8.2794 114.1548 57.4398 41.2023 176.5669 7 R 4.1931 8.0044 116.2356 56.9227 30.0433 175.6346 8 N 5.0822 7.3799 116.4538 52.0664 40.7203 175.5513 9 S 4.6284 8.3313 119.0955 57.9350 62.3713 174.8877 10 S 4.4412 7.6978 113.9537 59.1017 64.2528 175.0249 11 K 4.3612 7.7145 120.0634 54.4456 33.0646 174.2014 12 P 4.4971 0.0000 0.0000 62.0516 31.8850 176.3093 13 A 4.2972 8.4150 123.1606 52.3985 18.8990 177.0907 14 Y 4.8860 8.8306 123.6523 55.9245 39.4308 175.1680 15 T 4.4543 8.0972 112.9900 60.4794 70.9955 174.6297 16 R 4.0857 7.8686 121.3146 56.5447 28.7514 177.2748 17 R 3.9821 8.3351 123.3848 58.0699 30.3531 178.8220 18 E 3.9153 7.8104 114.8070 58.0252 29.6793 176.7340 19 Y 4.8272 7.7325 114.7607 57.2879 39.7831 175.0683 20 I 4.6343 7.3438 120.5785 59.2680 39.6572 175.1101 21 S 4.6694 8.2735 118.1723 57.6675 65.8777 173.4214 22 G 3.8017 8.8112 108.0858 46.6525 0.0000 173.4886 23 I 4.0569 7.6757 120.1460 59.4970 37.9676 174.6480 24 P 4.4162 0.0000 0.0000 62.0463 31.9137 176.6678 25 G 3.7746 8.2887 110.1525 44.9940 0.0000 173.5116 26 K 4.0759 8.2960 121.8257 56.1384 32.7867 177.2325 27 K 4.2916 8.7451 122.8117 57.1451 32.7284 177.2928 28 I 3.9498 7.6590 120.4151 61.4771 37.3439 175.6801 29 A 4.1616 9.7932 130.4254 54.7870 18.4741 177.1637 30 Q 4.8055 7.5242 110.8712 54.8321 33.3536 174.3357 31 F 4.4418 8.9823 116.2538 57.7539 42.2764 175.1613 32 D 5.5510 8.3679 117.8365 52.9643 42.5934 175.9323 33 M 4.8223 9.0491 121.9901 54.3194 36.6059 176.1667 34 G 3.4724 8.8075 106.5585 46.3488 0.0000 176.1955 35 N 4.6211 8.3534 113.2288 52.5231 36.7338 175.2527 36 N 4.6354 8.1963 117.1506 53.8390 38.4690 177.6579 37 G 3.5985 8.0649 108.0836 48.2209 0.0000 174.1573 38 A 4.3410 7.5587 121.7809 51.1789 19.6128 176.5973 39 G 4.0792 8.0473 108.2358 43.0016 0.0000 172.7596 40 P 4.3312 0.0000 0.0000 62.8455 28.7951 176.9120 41 T 4.6107 7.7894 111.5001 61.3326 69.7672 174.7845 42 Y 4.6894 7.9839 118.2339 56.9021 40.2720 174.6027 43 P 4.3750 0.0000 0.0000 65.4025 31.8955 176.4114 44 A 5.6651 8.2116 119.9996 49.8971 21.5427 175.5221 45 Q 4.6142 8.5479 121.7188 53.3888 31.8662 173.7919 46 V 4.8623 8.1354 126.3998 61.5533 34.3231 174.2037 47 E 4.9158 9.9000 125.0913 54.4474 34.3706 174.2952 48 L 4.3770 7.8276 125.0138 53.4423 43.8997 175.1617 49 V 4.7071 8.7474 127.7351 60.8776 33.1780 175.0473 50 V 3.9347 8.2829 128.7999 63.1270 32.3403 175.8534 51 E 4.6441 8.5330 125.8180 56.1283 30.0676 176.1376 52 K 4.5512 7.5447 117.8303 54.3069 36.1999 173.9076 53 P 4.4955 0.0000 0.0000 62.9078 31.9256 175.9891 54 V 4.5812 8.5777 115.1543 60.7528 36.7736 172.6530 55 Q 5.1208 8.7525 119.8147 54.4197 31.7214 175.2840 56 I 4.5868 8.4332 124.3395 59.2520 40.0059 175.7645 57 R 4.4588 8.6212 126.8197 55.9450 30.7630 177.5383 58 H 4.1477 8.8389 117.7415 59.1069 28.0167 177.0976 59 N 4.0800 8.0506 118.6981 56.5083 38.3691 176.6152 60 A 3.9816 7.8491 121.0663 55.1562 18.6042 179.4144 61 L 3.8224 7.7930 117.3547 57.9204 41.7119 179.1652 62 E 3.8031 8.3238 118.9743 59.4610 29.6179 178.5394 63 A 3.9768 8.1782 120.4393 55.2728 18.3953 179.4105 64 A 3.9165 8.5797 119.4514 55.2226 18.5601 179.4815 65 R 3.8225 8.6823 117.2291 59.9892 30.0931 178.3436 66 V 3.5518 8.5061 117.6407 66.3058 29.9652 177.5396 67 A 3.4467 8.1825 120.0827 54.9683 18.1148 179.3849 68 A 4.2261 7.6454 119.7731 54.2499 19.0641 179.2593 69 N 4.0170 8.3734 114.5703 56.6783 39.1501 176.7122 70 R 3.9881 8.6455 120.3335 59.5287 30.2822 177.4206 71 Y 4.2196 7.4122 117.6749 59.8137 38.6897 177.4524 72 V 3.2320 7.3397 116.3087 62.3676 31.8635 176.7643 73 Q 4.6574 7.6408 120.1146 55.6592 27.4328 175.1957 74 N 4.7364 7.3125 112.5632 52.7385 41.0887 174.2228 75 S 4.4928 7.7279 111.6777 58.1366 65.1762 175.1461 76 G 3.9489 8.5881 107.4999 44.9736 0.0000 174.2963 77 A 3.6222 8.4415 124.9971 54.5967 18.4208 178.0199 78 A 4.6244 7.6570 116.8055 51.5616 19.6750 175.8259 79 A 4.1570 8.5061 123.2257 53.9861 18.9493 178.8330 80 N 4.7165 8.2726 118.9578 52.2296 37.7728 173.2318 81 Y 4.7852 7.0284 120.0999 55.7964 41.2392 172.9091 82 K 5.1207 8.3532 119.0408 55.3069 36.1202 174.6005 83 F 5.8550 9.4107 126.8644 56.6277 42.0898 174.2171 84 R 5.1486 9.5471 124.5543 54.5867 34.0837 174.0484 85 I 4.4430 8.3164 125.2875 59.3961 37.7316 175.5291 86 R 4.3119 8.3806 127.3323 57.8628 29.9695 177.0822 87 K 4.6605 7.8082 118.8259 54.9395 33.8257 175.5957 88 F 4.7209 8.3461 119.8276 54.8915 42.0797 174.9344 89 P 4.8990 0.0000 0.0000 62.2447 29.0357 175.8458 90 F 4.4116 7.9031 124.2562 61.3150 39.8773 175.5189 91 H 4.5461 8.3017 121.7106 56.1892 30.4969 174.7534 92 V 4.3109 8.5071 127.6706 62.7126 32.2810 175.2259 93 I 4.6519 8.9531 121.1014 59.3394 40.4968 175.1553 94 R 4.9331 8.3127 123.1838 54.3726 33.3103 174.7202 95 E 4.5272 8.1338 118.6039 55.4539 33.1783 174.8143 96 N 4.9753 8.6840 127.4746 52.4371 37.8106 174.5196 97 K 4.2316 7.4949 123.8505 54.7231 31.9532 176.1336 *109 D 4.4933 7.7136 121.1927 54.9209 44.2106 171.6530 110 G 4.1324 8.9023 117.9459 46.4664 0.0000 173.5726 111 M 4.3129 9.2365 122.0045 55.1279 33.3305 176.1956 112 R 3.8856 7.8801 120.0679 57.3025 31.3503 176.0890 113 A 3.7954 8.5095 127.3312 52.8489 15.7009 174.6828 114 P 5.1127 0.0000 0.0000 61.3398 32.6181 176.8073 115 F 3.9751 8.2113 122.4877 58.4163 39.4174 174.9440 116 G 3.9642 7.9614 115.9258 46.0221 0.0000 171.7677 117 K 4.8685 8.3737 118.3479 53.9499 35.3823 174.2057 118 P 4.5805 0.0000 0.0000 63.9934 31.1860 176.3176 119 V 4.3386 8.5876 115.6601 60.5657 34.3021 175.3845 120 G 4.0357 7.0802 105.3913 46.4198 0.0000 171.8743 121 T 5.3223 7.6749 107.9069 60.2266 72.6093 172.6452 122 A 5.0637 9.0111 122.4920 50.8756 23.5366 174.7406 123 A 4.7395 8.9854 121.7524 50.2485 21.5310 176.3911 124 R 4.7113 8.7242 122.1913 55.5666 30.9223 176.0652 125 V 4.4644 8.5951 124.5882 61.3246 34.5249 174.2169 126 H 4.8676 8.8586 123.7135 53.4551 30.5652 174.5558 127 G 3.9449 8.5000 110.8777 47.5555 0.0000 173.3534 128 A 3.9354 9.7639 126.7855 51.7359 18.5355 178.4003 129 N 4.6959 8.0897 113.3115 53.3774 40.0783 173.7162 130 H 5.0943 8.1855 116.7539 54.4239 29.6300 174.6530 131 I 3.8736 8.4769 123.3378 62.2269 39.3502 175.2331 132 F 5.2312 7.6449 119.2923 55.5261 43.2046 174.1976 133 I 5.0294 9.0468 122.4751 59.6401 40.8491 174.2319 134 A 5.4444 9.3855 128.5543 49.8787 22.8165 174.9349 135 W 4.9906 9.0602 119.5471 54.8261 32.2956 175.2141 136 V 4.9179 8.9755 124.1086 59.9876 34.7657 174.8341 137 N 5.0414 8.9321 118.9099 51.7672 40.1015 172.7231 138 P 4.3926 0.0000 0.0000 62.7123 30.6846 176.5129 139 D 4.5618 7.6269 124.4796 52.4322 42.1882 176.6371 140 P 4.4968 0.0000 0.0000 63.0352 29.1561 176.7186 141 N 4.6933 7.8130 118.4162 53.6912 39.5700 176.7546 142 V 3.0512 7.2240 120.8839 64.4919 31.2037 177.9924 143 E 3.9054 7.7880 117.9106 59.0539 29.4774 178.3331 144 E 3.9900 7.8436 118.6124 58.6760 29.3644 178.1662 145 A 3.8719 7.7131 120.5260 53.9905 18.3193 178.8130 146 W 4.8696 7.7166 116.3777 58.1199 29.6081 178.3311 147 R 4.0707 7.6639 117.4360 58.4518 29.9391 177.6817 148 R 4.2411 7.8152 116.5375 57.5855 30.6887 178.3768 149 A 4.1085 7.7834 121.8522 55.0297 18.6251 179.0275 150 K 4.2688 7.9488 111.8863 58.2127 32.7760 177.6292 151 M 4.1869 7.5506 118.5491 57.4788 32.3354 176.6906 152 K 4.6471 7.9271 116.4002 55.9158 32.9411 175.9355 153 V 4.5232 7.4606 111.0510 59.4938 34.9751 175.5159 154 T 3.9764 8.8380 120.9424 66.4309 68.3761 173.0510 155 P 4.4744 0.0000 0.0000 62.7755 32.4522 175.6379 156 T 4.4369 8.0691 115.0807 63.4183 70.0196 173.9439 157 I 5.0890 8.0662 122.7441 59.7878 41.9197 173.9012 158 N 4.8545 9.1563 123.0487 52.0560 41.1999 173.6272 159 I 4.5891 8.5003 127.6079 60.3864 37.6726 174.0210 160 D 4.8722 8.9030 127.9922 52.5426 42.9918 174.8967 161 S 4.6146 8.7166 120.6095 58.6773 63.6194 171.1602 162 S 4.4375 9.3076 121.4948 58.7927 64.7379 173.2602 163 P 4.3932 0.0000 0.0000 63.9838 32.7609 175.9590 164 A 5.4844 8.0662 134.8485 52.5809 19.5009 175.7714 165 G 4.1368 8.1952 111.8138 45.5043 0.0000 172.3693 166 N 4.6987 8.0104 115.8291 51.4857 37.5884 175.2161 167 A 4.2963 7.5856 124.2335 52.2791 19.1995 177.4270 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 K 8.31 4.34 0.00 1.91 1.89 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.56 7.81 2 P 0.00 4.38 0.00 2.24 1.95 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 3 G 9.08 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.20 3.98 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 5 M 7.59 3.96 0.00 1.15 1.45 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 6 Y 8.28 4.87 0.00 3.00 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 7 R 8.00 4.19 0.00 2.00 2.26 0.00 3.10 0.00 0.00 3.30 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 8 N 7.38 5.08 0.00 2.54 2.76 0.00 0.00 6.92 7.45 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 9 S 8.33 4.63 0.00 3.83 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 10 S 7.70 4.44 0.00 3.97 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 11 K 7.71 4.36 0.00 1.85 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 12 P 0.00 4.50 0.00 2.12 2.05 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 13 A 8.41 4.30 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 14 Y 8.83 4.89 0.00 2.96 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 15 T 8.10 4.45 4.28 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 0.00 0.00 0.00 1.40 0.00 0.00 16 R 7.87 4.09 0.00 2.12 2.19 0.00 3.30 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 17 R 8.34 3.98 0.00 1.80 1.92 0.00 3.11 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 18 E 7.81 3.92 0.00 1.46 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 1.47 1.47 0.00 19 Y 7.73 4.83 0.00 2.93 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 20 I 7.34 4.63 1.75 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.84 0.00 0.00 21 S 8.27 4.67 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.68 4.06 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.88 0.00 0.00 24 P 0.00 4.42 0.00 2.00 1.97 0.00 3.64 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 2.06 2.07 0.00 25 G 8.29 3.77 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 0.00 0.00 0.00 26 K 8.30 4.08 0.00 1.74 1.77 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.59 1.50 7.81 27 K 8.75 4.29 0.00 1.77 1.83 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.53 7.81 28 I 7.66 3.95 1.83 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 0.42 0.18 0.00 0.00 29 A 9.79 4.16 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 30 Q 7.52 4.81 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 31 F 8.98 4.44 0.00 3.08 3.10 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 32 D 8.37 5.55 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 9.05 4.82 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 34 G 8.81 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.35 4.62 0.00 2.78 2.80 0.00 0.00 7.19 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.20 4.64 0.00 2.86 3.00 0.00 0.00 6.31 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.06 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 38 A 7.56 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.05 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 40 P 0.00 4.33 0.00 1.65 0.79 0.00 3.41 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.96 0.00 41 T 7.79 4.61 4.14 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 0.00 0.00 1.16 0.00 0.00 42 Y 7.98 4.69 0.00 3.20 3.29 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 43 P 0.00 4.38 0.00 2.13 2.17 0.00 4.05 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 2.09 2.12 0.00 44 A 8.21 5.67 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 45 Q 8.55 4.61 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.01 1.28 0.00 46 V 8.14 4.86 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 1.40 0.00 0.00 0.89 0.00 0.00 47 E 9.90 4.92 0.00 1.68 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 0.00 2.06 2.32 0.00 48 L 7.83 4.38 0.00 0.27 1.00 0.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.75 4.71 2.12 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 0.92 0.00 0.00 0.90 0.00 0.00 50 V 8.28 3.93 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 0.86 0.00 0.00 0.85 0.00 0.00 51 E 8.53 4.64 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 52 K 7.54 4.55 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.44 7.81 53 P 0.00 4.50 0.00 1.93 1.64 0.00 3.65 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 1.99 2.15 0.00 54 V 8.58 4.58 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 0.75 0.00 0.00 0.94 0.00 0.00 55 Q 8.75 5.12 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 56 I 8.43 4.59 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.87 0.00 0.00 57 R 8.62 4.46 0.00 1.85 1.83 0.00 2.91 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 58 H 8.84 4.15 0.00 3.34 3.52 0.00 5.28 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.05 4.08 0.00 2.73 2.81 0.00 0.00 7.04 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.85 3.98 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 61 L 7.79 3.82 0.00 1.77 1.56 0.74 0.81 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 62 E 8.32 3.80 0.00 2.08 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 2.36 2.37 0.00 63 A 8.18 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.58 3.92 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.68 3.82 0.00 2.20 2.15 0.00 3.20 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 66 V 8.51 3.55 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 0.97 0.00 0.00 1.01 0.00 0.00 67 A 8.18 3.45 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 68 A 7.65 4.23 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 69 N 8.37 4.02 0.00 2.92 2.94 0.00 0.00 7.25 7.30 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 70 R 8.65 3.99 0.00 1.87 2.01 0.00 3.33 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 71 Y 7.41 4.22 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 72 V 7.34 3.23 1.62 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 0.22 0.00 0.00 -0.14 0.00 0.00 73 Q 7.64 4.66 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 74 N 7.31 4.74 0.00 1.95 2.33 0.00 0.00 7.14 7.63 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 75 S 7.73 4.49 0.00 3.99 3.92 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 76 G 8.59 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 77 A 8.44 3.62 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 78 A 7.66 4.62 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.51 4.16 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.27 4.72 0.00 2.75 2.89 0.00 0.00 6.83 7.54 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 81 Y 7.03 4.79 0.00 3.11 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 82 K 8.35 5.12 0.00 1.99 2.10 0.00 1.42 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.63 7.81 83 F 9.41 5.86 0.00 3.28 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 84 R 9.55 5.15 0.00 2.00 1.98 0.00 3.40 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 85 I 8.32 4.44 1.67 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.05 0.55 0.00 0.00 86 R 8.38 4.31 0.00 1.87 2.15 0.00 3.20 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 87 K 7.81 4.66 0.00 1.62 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.31 7.81 88 F 8.35 4.72 0.00 2.11 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 0.00 0.00 0.00 0.00 89 P 0.00 4.90 0.00 2.13 2.05 0.00 3.38 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 90 F 7.90 4.41 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.30 4.55 0.00 3.36 3.42 0.00 5.86 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.51 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 0.85 0.00 0.00 0.87 0.00 0.00 93 I 8.95 4.65 1.65 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 1.15 0.26 1.02 0.00 0.00 94 R 8.31 4.93 0.00 1.52 1.78 0.00 2.33 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.00 95 E 8.13 4.53 0.00 2.17 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 2.40 2.34 0.00 96 N 8.68 4.98 0.00 2.91 2.68 0.00 0.00 6.90 5.98 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 97 K 7.49 4.23 0.00 1.91 1.85 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 *109 D 7.71 4.49 0.00 2.70 2.66 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 0.00 110 G 8.90 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 M 9.24 4.31 0.00 2.02 2.11 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 2.55 2.45 0.00 112 R 7.88 3.89 0.00 1.78 1.84 0.00 3.39 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 113 A 8.51 3.80 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 0.00 114 P 0.00 5.11 0.00 2.20 2.29 0.00 3.44 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 115 F 8.21 3.98 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.96 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 0.00 0.00 0.00 117 K 8.37 4.87 0.00 1.88 1.94 0.00 1.37 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.40 7.81 118 P 0.00 4.58 0.00 2.11 2.10 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 119 V 8.59 4.34 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 0.79 0.00 0.00 0.87 0.00 0.00 120 G 7.08 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 0.00 0.00 0.00 121 T 7.67 5.32 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 1.16 0.00 0.00 122 A 9.01 5.06 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 0.00 123 A 8.99 4.74 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 0.00 124 R 8.72 4.71 0.00 1.77 1.94 0.00 3.14 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 125 V 8.60 4.46 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 1.01 0.00 0.00 0.87 0.00 0.00 126 H 8.86 4.87 0.00 3.29 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 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 0.00 128 A 9.76 3.94 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 0.00 129 N 8.09 4.70 0.00 2.65 2.67 0.00 0.00 6.48 7.70 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 0.00 130 H 8.19 5.09 0.00 3.01 3.19 0.00 5.52 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 0.00 131 I 8.48 3.87 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.97 0.66 0.00 0.00 132 F 7.64 5.23 0.00 2.38 2.43 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 0.00 133 I 9.05 5.03 1.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.17 -0.20 0.00 0.00 134 A 9.39 5.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 W 9.06 4.99 0.00 3.17 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 0.00 0.00 0.00 136 V 8.98 4.92 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 0.75 0.00 0.00 0.93 0.00 0.00 137 N 8.93 5.04 0.00 2.71 2.85 0.00 0.00 6.95 8.02 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 0.00 138 P 0.00 4.39 0.00 2.05 2.08 0.00 3.75 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 2.06 2.14 0.00 139 D 7.63 4.56 0.00 2.56 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 0.00 140 P 0.00 4.50 0.00 2.03 1.93 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 141 N 7.81 4.69 0.00 2.53 2.71 0.00 0.00 6.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.22 3.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 -0.41 0.00 0.00 143 E 7.79 3.91 0.00 1.87 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 2.35 2.38 0.00 144 E 7.84 3.99 0.00 1.99 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 2.11 1.77 0.00 145 A 7.71 3.87 1.06 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 0.00 146 W 7.72 4.87 0.00 3.43 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 0.00 147 R 7.66 4.07 0.00 1.76 2.08 0.00 3.20 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 148 R 7.82 4.24 0.00 1.92 1.86 0.00 2.87 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 149 A 7.78 4.11 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 0.00 150 K 7.95 4.27 0.00 1.89 1.94 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.55 4.19 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 152 K 7.93 4.65 0.00 1.79 1.76 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.37 7.81 153 V 7.46 4.52 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 0.75 0.00 0.00 0.99 0.00 0.00 154 T 8.84 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 1.21 0.00 0.00 155 P 0.00 4.47 0.00 2.15 2.04 0.00 3.72 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 1.96 1.95 0.00 156 T 8.07 4.44 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 0.00 157 I 8.07 5.09 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.84 0.00 0.00 158 N 9.16 4.85 0.00 2.84 2.62 0.00 0.00 7.47 7.70 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 0.00 159 I 8.50 4.59 1.95 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 1.38 0.77 1.15 0.00 0.00 160 D 8.90 4.87 0.00 2.85 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 0.00 161 S 8.72 4.61 0.00 3.96 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 0.00 162 S 9.31 4.44 0.00 3.96 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.39 0.00 2.36 2.11 0.00 3.99 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 164 A 8.07 5.48 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 0.00 165 G 8.20 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 166 N 8.01 4.70 0.00 2.74 2.81 0.00 0.00 7.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 7.59 4.30 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 * Residues marked with a * may have inaccurate shift predictions.