NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0919 8.3549 108.0328 46.3709 0.0000 172.9642 2 S 4.6584 8.5162 119.7324 55.3724 67.2330 171.7926 3 S 4.2403 8.7623 116.0783 59.1305 63.4728 173.0818 4 G 4.4290 8.0253 111.0232 44.9506 0.0000 172.5123 5 S 4.5210 7.8485 110.9290 57.8025 65.3143 172.8806 6 S 4.5305 8.5007 118.8794 57.1314 66.8852 171.7304 7 G 3.7543 8.5493 105.5649 44.7302 0.0000 173.1554 8 Q 4.3150 8.5071 115.4853 54.3165 28.4595 176.4274 9 G 3.6130 7.6625 112.2355 45.2708 0.0000 172.2213 10 H 4.3871 7.7610 120.3072 55.5711 29.7561 175.7877 11 L 4.3170 8.2203 123.3906 54.7700 43.1542 175.8089 12 V 4.2141 8.4104 125.7189 62.1963 33.2528 174.3428 13 H 5.2344 8.9899 124.8801 54.3018 30.4897 172.4978 14 M 4.7004 8.2695 119.5908 54.0186 33.9421 175.4193 15 T 5.1864 8.2722 116.1174 62.3402 72.4671 173.4217 16 V 4.5875 8.8657 118.5591 59.7512 36.8495 174.3377 17 V 4.4871 8.1848 120.9332 61.8536 32.9906 175.6423 18 S 4.1283 8.8864 121.3655 58.7868 63.7150 174.0787 19 G 4.3665 8.3999 111.8621 46.7415 0.0000 173.3777 20 S 4.8723 7.3038 110.6342 55.5310 65.8016 173.1848 21 N 4.8832 8.8330 123.2601 53.0550 37.7461 174.9305 22 V 4.2725 8.5474 124.1468 60.6945 34.7722 175.4396 23 T 4.6214 7.9792 117.0341 62.5098 71.5328 173.9987 24 L 4.3688 8.5733 129.2561 53.5922 42.7407 176.0935 25 N 5.2568 8.4744 121.8972 50.3722 39.6418 174.5393 26 I 3.2660 8.3562 117.9076 60.7143 37.5588 175.4964 27 S 3.8371 8.1573 119.3569 61.6376 62.6352 173.7765 28 E 4.1845 7.6880 118.9928 55.3787 30.0438 176.8505 29 S 4.1109 8.5339 120.3802 57.8128 63.5888 173.9464 30 L 3.9115 8.2878 123.3638 54.1629 42.0363 175.6327 31 P 4.6451 0.0000 0.0000 62.2042 32.5032 176.3282 32 E 4.0274 8.4482 117.5258 59.2457 28.3163 178.2926 33 N 4.5320 7.8550 115.7487 52.5426 41.7340 173.6985 34 Y 4.7131 8.4692 122.1714 56.8744 39.3463 175.0904 35 K 4.4854 8.9938 118.3026 57.5359 33.6913 176.8336 36 Q 5.0307 8.2309 120.0677 54.1935 32.6765 174.0096 37 L 4.8023 9.0692 126.8917 54.0505 44.5519 174.9418 38 T 5.4550 8.9120 122.5214 61.5839 73.2604 173.0906 39 W 5.1064 9.2398 122.8197 55.0934 32.7639 174.4799 40 F 5.1367 9.5583 123.3303 56.1854 40.1672 176.3953 41 Y 4.1590 8.8603 125.7110 59.8655 39.0362 174.5483 42 T 4.4339 7.3456 106.7429 59.7132 72.0108 172.4022 43 F 4.0138 8.2134 121.7594 61.5266 39.3354 177.2956 44 D 5.2120 8.0616 117.2483 53.8868 41.7324 175.5967 45 Q 4.6420 8.0338 118.8644 54.3375 32.9545 174.2319 46 K 4.6565 8.5611 123.6811 55.0295 34.6572 175.3851 47 I 5.0436 9.2011 120.2823 61.7847 40.3442 176.3002 48 V 4.4877 7.7078 118.9758 60.4535 34.4556 172.1212 49 E 5.2457 9.1807 124.3751 54.3110 33.1800 174.5561 50 W 5.0143 9.2817 135.0000 55.1010 33.0202 175.2203 51 D 4.9646 7.8168 132.4392 54.6634 39.2154 176.8387 52 S 3.8786 7.3917 106.3808 58.8870 60.9694 171.8839 53 R 4.1699 5.8400 114.3804 55.2018 32.8518 175.0895 54 K 4.3096 6.7152 116.7650 55.2747 35.6739 175.5352 55 S 4.7157 9.6625 119.8873 59.4412 64.0465 174.0295 56 K 4.3812 9.2226 123.6125 54.9677 34.7459 174.4838 57 Y 4.5068 8.5729 125.8712 57.1976 39.3342 175.6014 58 F 4.6707 8.3515 124.6992 57.2226 37.3482 175.6744 59 E 3.7342 7.9677 126.3519 56.8657 28.7322 175.2407 60 S 4.7177 7.9556 115.6283 56.7262 64.4873 175.4639 61 K 3.8266 8.8677 125.4820 60.1921 32.5587 177.5262 62 F 4.3040 8.2230 118.0363 59.9724 38.9847 175.6403 63 K 3.3263 8.2782 119.8062 57.8860 32.3868 174.7090 64 G 4.2477 8.6578 118.1057 46.1747 0.0000 174.7177 65 R 4.2449 7.5537 114.4703 57.4749 30.5131 177.0407 66 V 4.6548 7.4884 109.9548 60.9946 33.2556 175.3197 67 R 4.5632 8.0228 116.4983 56.6204 33.2463 172.8875 68 L 4.7832 8.8340 128.4804 53.4409 43.9667 174.8830 69 D 4.7749 8.3099 126.8777 52.1998 41.6005 175.1148 70 P 3.9888 0.0000 0.0000 64.2320 31.7149 177.7385 71 Q 4.1707 7.9853 118.5076 58.3371 29.0743 176.7082 72 S 4.4693 7.8569 110.1176 57.7070 64.6471 174.8264 73 G 3.6637 8.6945 108.0862 45.2964 0.0000 172.5272 74 A 5.3054 7.6229 119.6807 49.0344 21.9946 176.4722 75 L 4.2033 7.5164 122.3178 53.3262 44.2726 174.6143 76 Y 5.2583 7.6962 124.4253 55.9404 39.7863 174.7320 77 I 4.7175 8.1831 125.3337 59.6646 39.7383 175.1378 78 S 5.0180 8.6829 122.1339 56.6454 65.3640 173.7691 79 K 3.8227 8.7089 118.6516 57.2446 31.5187 174.8942 80 V 3.9338 7.5702 111.8750 62.8220 32.7793 175.4575 81 Q 4.7296 9.0738 118.8099 53.6551 32.4880 176.6927 82 K 3.9417 8.9138 122.2613 59.9481 32.4073 178.3957 83 E 4.1262 8.4327 116.7824 59.5334 29.6121 177.7109 84 D 4.8192 8.6217 118.2631 57.2747 41.0313 175.7355 85 N 4.7315 7.6658 116.4859 53.5573 37.5447 174.4984 86 S 4.5373 8.5116 117.8473 57.8852 67.8558 175.1878 87 T 4.3763 8.4554 118.1545 63.7058 68.3915 174.1373 88 Y 4.7583 9.5009 126.0661 57.3037 39.9114 175.0710 89 I 5.2359 8.7571 123.9805 58.8040 40.3807 174.3632 90 M 4.2736 8.4381 128.2839 53.9932 33.3219 174.5753 91 R 4.6686 8.0846 125.7648 55.1072 32.2216 176.1038 92 V 5.3974 8.2486 122.6629 59.9694 35.7006 173.9920 93 L 4.7172 8.5380 129.2963 53.3528 43.1767 175.5580 94 K 4.4250 8.6440 127.1230 56.4712 32.7976 177.9850 95 K 3.8025 8.1982 123.7502 60.2312 31.6507 177.8885 96 T 3.8585 8.2003 112.5627 64.4373 67.2877 173.3397 97 G 4.2356 7.6112 110.5266 46.3469 0.0000 172.0612 98 N 5.0894 8.2008 116.3213 51.3630 43.5532 172.8270 99 E 4.7452 8.8875 119.7495 54.9571 32.8176 175.1648 100 Q 4.4771 8.4077 125.8546 54.1465 32.4419 174.3683 101 E 4.5997 7.4406 120.3408 54.8258 32.3193 175.0040 102 W 4.6499 8.5998 124.7457 55.4607 32.1854 175.0726 103 K 5.1779 8.4461 118.4471 55.2879 36.2753 176.1598 104 I 4.6180 9.1352 125.0636 59.8502 39.5330 174.3694 105 K 4.8114 9.2963 131.1337 54.7500 31.5168 174.4468 106 L 4.2371 9.0498 127.6152 55.1599 43.5926 175.0878 107 Q 4.6508 8.9784 127.0522 54.4242 31.4304 173.9405 108 V 4.6537 8.4517 126.6699 61.9189 33.0665 174.7690 109 L 5.0493 8.8312 126.2964 52.8542 45.8476 174.7223 110 D 5.0991 8.4625 119.9470 51.6657 40.5506 175.0434 111 P 4.3288 0.0000 0.0000 65.7430 31.7592 177.2757 112 V 3.4761 7.8104 117.0533 60.7481 31.3995 174.9598 113 P 4.6121 0.0000 0.0000 62.0259 32.6006 175.1416 114 K 4.6264 8.1348 115.6893 54.5541 35.3769 173.9898 115 P 4.4282 0.0000 0.0000 62.7605 32.1283 176.5240 116 V 4.0401 7.9272 118.5013 61.3924 30.2949 173.5204 117 I 4.1975 7.9499 126.2958 59.6134 37.8910 175.5164 118 K 4.6700 8.5158 126.2644 54.1620 34.8897 174.7940 119 I 4.4040 8.2180 117.3402 58.8472 39.6469 174.5641 120 E 4.4077 8.5330 124.8766 53.7506 30.3168 175.3415 121 K 4.0022 8.7937 126.3265 56.9739 32.0506 176.0871 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 G 8.35 4.09 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 0.00 0.00 0.00 2 S 8.52 4.66 0.00 3.90 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 3 S 8.76 4.24 0.00 3.81 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 4 G 8.03 4.43 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 0.00 5 S 7.85 4.52 0.00 3.79 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 6 S 8.50 4.53 0.00 3.84 3.72 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 7 G 8.55 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 8 Q 8.51 4.31 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.59 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 9 G 7.66 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.76 4.39 0.00 3.26 3.34 0.00 5.72 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 11 L 8.22 4.32 0.00 1.67 1.58 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.41 4.21 2.34 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 0.98 0.00 0.00 0.95 0.00 0.00 13 H 8.99 5.23 0.00 3.03 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.27 4.70 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 15 T 8.27 5.19 4.26 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 1.29 0.00 0.00 16 V 8.87 4.59 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 0.77 0.00 0.00 0.94 0.00 0.00 17 V 8.18 4.49 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 0.76 0.00 0.00 0.94 0.00 0.00 18 S 8.89 4.13 0.00 4.09 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.40 4.37 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 0.00 20 S 7.30 4.87 0.00 3.96 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 21 N 8.83 4.88 0.00 2.73 2.82 0.00 0.00 6.00 7.66 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 22 V 8.55 4.27 2.04 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 0.55 0.00 0.00 0.85 0.00 0.00 23 T 7.98 4.62 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 1.33 0.00 0.00 24 L 8.57 4.37 0.00 0.93 1.56 -0.23 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.47 5.26 0.00 2.56 2.70 0.00 0.00 6.32 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 26 I 8.36 3.27 0.56 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 0.77 0.14 0.00 0.00 0.00 27 S 8.16 3.84 0.00 3.85 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 28 E 7.69 4.18 0.00 2.20 2.05 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 2.53 2.50 0.00 29 S 8.53 4.11 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 30 L 8.29 3.91 0.00 1.64 1.77 0.52 0.76 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 31 P 0.00 4.65 0.00 2.26 2.17 0.00 3.96 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 2.15 2.11 0.00 32 E 8.45 4.03 0.00 2.01 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 0.00 2.35 2.35 0.00 33 N 7.86 4.53 0.00 2.70 2.62 0.00 0.00 6.83 7.49 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 34 Y 8.47 4.71 0.00 3.08 3.02 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 35 K 8.99 4.49 0.00 1.91 1.93 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.39 7.81 36 Q 8.23 5.03 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 37 L 9.07 4.80 0.00 1.79 1.65 0.11 1.09 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 38 T 8.91 5.45 4.57 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 1.36 0.00 0.00 39 W 9.24 5.11 0.00 3.33 3.22 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 40 F 9.56 5.14 0.00 3.14 3.24 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 41 Y 8.86 4.16 0.00 3.02 3.08 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 42 T 7.35 4.43 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 0.65 0.00 0.00 43 F 8.21 4.01 0.00 3.01 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 44 D 8.06 5.21 0.00 2.76 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 45 Q 8.03 4.64 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.84 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 46 K 8.56 4.66 0.00 1.12 1.35 0.00 0.91 0.00 0.00 0.93 0.00 0.00 2.37 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.67 7.81 47 I 9.20 5.04 2.08 0.00 0.00 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 1.24 2.54 1.10 0.00 0.00 48 V 7.71 4.49 1.17 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 0.71 0.00 0.00 0.39 0.00 0.00 49 E 9.18 5.25 0.00 2.50 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 2.34 2.42 0.00 50 W 9.28 5.01 0.00 3.55 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 51 D 7.82 4.96 0.00 2.65 2.53 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 52 S 7.39 3.88 0.00 4.10 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 53 R 5.84 4.17 0.00 1.47 1.50 0.00 3.27 0.00 0.00 3.14 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 54 K 6.72 4.31 0.00 1.71 1.61 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.14 1.42 7.81 55 S 9.66 4.72 0.00 4.02 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 56 K 9.22 4.38 0.00 1.57 1.47 0.00 1.51 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.46 1.10 7.81 57 Y 8.57 4.51 0.00 2.96 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 58 F 8.35 4.67 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 59 E 7.97 3.73 0.00 2.07 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 0.00 2.26 2.35 0.00 60 S 7.96 4.72 0.00 4.21 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 61 K 8.87 3.83 0.00 1.67 1.85 0.00 1.32 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.00 0.84 7.81 62 F 8.22 4.30 0.00 3.20 3.14 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 63 K 8.28 3.33 0.00 1.64 1.73 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 0.42 7.81 64 G 8.66 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 0.00 0.00 0.00 0.00 65 R 7.55 4.24 0.00 1.98 2.07 0.00 3.38 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 66 V 7.49 4.65 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 0.56 0.00 0.00 1.20 0.00 0.00 67 R 8.02 4.56 0.00 1.88 1.89 0.00 3.56 0.00 0.00 3.36 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 68 L 8.83 4.78 0.00 1.55 1.53 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.31 4.77 0.00 3.00 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 70 P 0.00 3.99 0.00 1.45 0.49 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 71 Q 7.99 4.17 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 72 S 7.86 4.47 0.00 3.78 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 73 G 8.69 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 74 A 7.62 5.31 0.92 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 0.00 0.00 75 L 7.52 4.20 0.00 0.27 0.29 0.47 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.70 5.26 0.00 2.92 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 77 I 8.18 4.72 1.78 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 0.74 0.39 1.07 0.00 0.00 78 S 8.68 5.02 0.00 3.76 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 79 K 8.71 3.82 0.00 1.94 1.94 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.47 7.81 80 V 7.57 3.93 2.31 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 1.04 0.00 0.00 1.02 0.00 0.00 81 Q 9.07 4.73 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 82 K 8.91 3.94 0.00 1.81 1.89 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.55 7.81 83 E 8.43 4.13 0.00 2.01 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 2.34 2.44 0.00 84 D 8.62 4.82 0.00 2.96 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 85 N 7.67 4.73 0.00 2.95 3.03 0.00 0.00 6.83 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 86 S 8.51 4.54 0.00 3.70 3.46 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 87 T 8.46 4.38 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 1.27 0.00 0.00 88 Y 9.50 4.76 0.00 3.27 3.40 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 89 I 8.76 5.24 1.69 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.52 0.60 0.00 0.00 90 M 8.44 4.27 0.00 1.76 0.57 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 2.05 0.00 91 R 8.08 4.67 0.00 1.77 1.73 0.00 2.21 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.00 92 V 8.25 5.40 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 0.93 0.00 0.00 1.01 0.00 0.00 93 L 8.54 4.72 0.00 1.85 1.71 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.64 4.43 0.00 1.82 1.74 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.50 7.81 95 K 8.20 3.80 0.00 2.01 1.88 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 96 T 8.20 3.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 97 G 7.61 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 0.00 0.00 0.00 98 N 8.20 5.09 0.00 2.71 2.61 0.00 0.00 6.76 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 99 E 8.89 4.75 0.00 1.74 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 2.19 2.20 0.00 100 Q 8.41 4.48 0.00 1.82 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.46 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.00 101 E 7.44 4.60 0.00 1.61 1.52 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 1.87 1.90 0.00 102 W 8.60 4.65 0.00 3.23 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 0.00 103 K 8.45 5.18 0.00 1.68 1.69 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 104 I 9.14 4.62 2.10 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.96 0.00 0.00 105 K 9.30 4.81 0.00 1.90 1.63 0.00 1.59 0.00 0.00 1.05 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.40 7.81 106 L 9.05 4.24 0.00 2.04 1.97 0.84 0.65 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 0.00 107 Q 8.98 4.65 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 108 V 8.45 4.65 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.01 0.00 0.00 109 L 8.83 5.05 0.00 1.60 1.53 0.93 0.97 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 0.00 110 D 8.46 5.10 0.00 2.68 2.67 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 0.00 111 P 0.00 4.33 0.00 2.20 2.22 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 112 V 7.81 3.48 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 0.79 0.00 0.00 0.94 0.00 0.00 113 P 0.00 4.61 0.00 2.20 2.15 0.00 3.71 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 1.99 1.95 0.00 114 K 8.13 4.63 0.00 1.82 1.77 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.40 7.81 115 P 0.00 4.43 0.00 2.20 2.13 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 116 V 7.93 4.04 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 0.93 0.00 0.00 0.93 0.00 0.00 117 I 7.95 4.20 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 0.69 0.91 0.00 0.00 118 K 8.52 4.67 0.00 1.67 1.64 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.38 7.81 119 I 8.22 4.40 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 0.86 0.91 0.00 0.00 120 E 8.53 4.41 0.00 1.91 1.89 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 2.17 2.19 0.00 121 K 8.79 4.00 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.54 7.81