NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2218 8.1727 122.0572 56.2957 34.0586 173.8589 2 V 4.7089 8.2656 127.4855 60.6576 32.5490 174.5123 3 F 4.1953 9.6404 128.2360 57.4532 40.1301 175.3016 4 G 4.3284 8.5108 108.0757 44.9457 0.0000 174.6366 5 R 3.1827 8.8780 121.2279 59.6352 30.0683 179.7325 6 C 4.3979 8.1100 115.4878 59.9223 34.8715 175.7772 7 E 3.9705 8.1226 119.8204 59.3695 29.0505 179.0367 8 L 3.5361 8.3384 120.5653 57.7524 41.9836 178.6950 9 A 3.9031 8.2445 121.0027 55.2359 18.2961 179.5009 10 A 3.9177 8.4709 119.3894 55.1721 18.4478 179.7722 11 A 3.9702 8.1454 119.4419 55.6697 18.4110 179.8532 12 M 3.8830 8.5803 117.8673 58.1267 31.8606 178.9891 13 K 3.8626 8.3620 120.3769 59.4895 32.2006 178.8517 14 R 3.9069 8.1724 118.2287 59.2964 29.8880 177.0507 15 H 4.6292 7.8237 114.1603 54.6630 28.9235 175.1607 16 G 3.9178 8.0036 108.4431 46.7410 0.0000 175.5541 17 L 3.5702 7.7687 121.2485 55.5831 42.0126 176.5521 18 D 4.6633 7.8689 118.1795 55.4224 40.7639 175.0637 19 N 4.4967 9.5135 123.3311 54.0257 36.8948 173.4991 20 Y 4.1879 8.4041 121.1491 59.0682 39.1090 176.2342 21 R 3.6498 8.9833 124.5819 57.1404 27.8933 177.1884 22 G 3.7353 8.5189 104.3090 45.7165 0.0000 173.7062 23 Y 4.3925 8.3645 119.4018 55.8405 38.4570 175.6125 24 S 4.8301 8.6547 119.5084 57.5202 64.0766 174.8611 25 L 4.2858 9.5459 124.9063 58.9981 41.7274 179.8796 26 G 4.0152 8.9711 105.4708 47.9781 0.0000 175.2704 27 N 4.5665 8.5944 118.7607 56.2878 38.4817 177.5002 28 W 3.8711 8.0075 120.0201 59.4760 29.0488 178.9325 29 V 3.5565 7.8444 117.8270 66.0312 31.1303 178.3853 30 C 2.7726 8.5391 118.3393 59.1023 41.8702 175.2094 31 A 3.9344 8.2121 122.4846 55.3060 17.8206 179.4666 32 A 4.0836 7.9646 120.6184 54.4249 18.3511 179.6905 33 K 2.4800 7.8186 118.4358 59.3017 31.8540 178.9027 34 F 4.2078 7.3943 115.6872 59.4239 39.0071 177.7631 35 E 4.3008 8.3444 118.7606 58.6334 29.9273 177.7102 36 S 4.5468 7.8689 109.6440 56.6126 64.3948 173.3217 37 N 3.7908 8.6248 118.1986 54.8476 37.5983 174.3801 38 F 4.0723 7.9358 111.0897 57.7573 36.9688 174.2053 39 N 5.1451 8.1073 121.3694 52.6386 38.7171 176.0279 40 T 4.0976 9.3354 117.8651 64.1466 69.0165 175.6288 41 Q 4.5116 8.5802 119.7674 55.4219 29.3479 175.5115 42 A 4.3289 7.8579 122.3202 52.6495 19.4043 177.0757 43 T 5.0534 8.3565 111.2671 60.0368 72.2510 172.8340 44 N 4.8920 8.9965 122.8867 51.9950 42.0998 173.1369 45 R 4.6084 8.6678 125.2463 55.4760 31.7022 175.6261 46 N 5.1372 8.9573 120.7193 51.4194 41.1337 176.3441 47 T 3.8886 8.6424 111.4454 64.6096 68.9173 174.8545 48 D 4.4589 8.0042 119.2757 53.7246 39.5473 177.0607 49 G 3.9074 8.3380 109.4821 45.2387 0.0000 173.8508 50 S 4.7457 8.2506 114.9609 57.1062 65.5484 173.2439 51 T 4.9526 9.0571 116.0362 61.9482 72.9527 172.7847 52 D 5.2732 9.1601 125.5025 53.1809 43.0425 175.0921 53 Y 5.0179 9.1734 121.4257 57.4002 41.5468 177.2781 54 G 4.3673 9.2614 111.9305 46.0499 0.0000 173.6874 55 I 4.2085 8.2462 116.4312 62.7790 37.9489 177.3882 56 L 4.6834 7.9419 117.2558 53.4823 42.5479 176.3429 57 Q 3.4347 8.2234 117.0530 57.0210 26.8100 174.4895 58 I 4.2023 8.0455 118.9928 60.9200 39.1265 177.0406 59 N 5.3514 9.1862 126.3097 53.7082 39.8461 175.4153 60 S 4.9211 9.0857 119.9082 59.5540 63.4946 175.3692 61 R 3.7633 9.2776 122.9090 59.0658 30.3812 177.9071 62 W 3.8938 8.0721 117.3660 57.3542 30.7198 178.4537 63 W 4.8874 8.2219 119.2582 57.8741 29.7064 173.7056 64 C 5.3723 7.9532 110.5537 53.5026 42.3888 171.8502 65 N 4.9789 9.0985 119.8709 52.1642 39.4437 174.7732 66 D 4.5613 8.7763 123.9713 52.5948 40.1496 177.1993 67 G 3.9537 9.1569 108.4935 46.1303 0.0000 174.3824 68 R 4.5663 8.4545 112.5853 55.5510 30.8618 174.6848 69 T 4.4682 7.7510 116.6070 61.1510 70.3335 172.3971 70 P 4.3239 0.0000 0.0000 63.5843 32.0454 176.2746 71 G 4.0244 8.5052 106.4267 46.4921 0.0000 173.7496 72 S 4.1910 7.2378 112.9644 58.0669 62.5641 173.9087 73 R 4.0369 8.5979 127.4951 56.1641 31.3176 176.1107 74 N 4.1902 8.0158 115.5028 54.5814 37.1145 175.0873 75 L 4.1164 8.5397 117.8126 57.6743 42.3180 178.2892 76 C 4.5473 8.6698 114.6911 56.5354 40.9886 172.6340 77 N 4.3131 8.1527 118.2441 53.8427 37.3895 173.2599 78 I 4.6765 7.2208 111.0945 58.7015 41.4805 173.0440 79 P 4.8230 0.0000 0.0000 62.4982 32.2771 178.1663 80 C 4.1383 8.8856 118.8656 59.8705 37.2612 176.6262 81 S 3.8274 7.9127 115.2985 61.1826 62.1150 176.2370 82 A 4.0648 8.0655 124.4690 54.6012 18.1508 178.7488 83 L 4.2961 8.2199 116.6249 55.9147 41.5799 177.9710 84 L 4.9094 7.3061 118.5564 54.2365 41.9243 176.8786 85 S 4.3999 7.4730 114.0502 58.1309 63.4211 174.7395 86 S 4.3436 8.5584 116.4364 60.6342 63.3439 174.4442 87 D 4.8560 7.8944 119.6851 52.6939 40.5769 176.5432 88 I 4.1396 8.1296 113.6136 61.3420 37.9686 177.4133 89 T 3.6490 7.7290 118.5859 67.3848 68.3437 175.7856 90 A 4.0169 7.9249 121.5104 55.3792 18.4558 179.7021 91 S 4.0819 7.9364 113.1334 61.5999 62.9830 176.9676 92 V 3.3010 8.1131 121.2559 66.0306 31.1784 177.8005 93 N 4.2198 8.4992 116.5615 56.3984 38.3449 176.6598 94 C 4.2444 8.3906 119.6879 59.5517 43.2377 175.3134 95 A 4.2833 8.4885 122.7306 55.3605 17.9530 179.7082 96 K 3.7135 8.3319 117.2829 59.3092 31.8886 179.5437 97 K 4.0182 7.7494 119.6822 59.5860 31.9691 178.9223 98 I 2.7407 7.6727 119.1884 64.1357 36.9028 178.2592 99 V 4.1720 7.9647 119.4392 64.8707 31.4563 178.2019 100 S 4.4799 8.1393 117.0702 62.2614 62.8319 175.9035 *101 D 4.5295 8.0792 116.6011 53.8212 39.3191 177.7850 *104 G 4.3280 7.8451 108.6038 45.8811 0.0000 173.6982 105 M 4.0250 7.2595 121.5354 54.7471 32.1819 177.6725 106 N 4.7047 8.0188 116.8019 56.0049 38.9485 175.8187 107 A 3.8466 8.0068 120.2683 54.6858 18.4495 177.9132 108 W 4.4276 8.2128 116.8519 54.9947 28.5636 176.7262 109 V 3.6750 8.3741 123.8036 66.1287 30.9330 177.1193 110 A 4.0023 8.3350 119.6586 54.9127 18.2264 179.2407 111 W 3.8852 8.7906 127.0947 60.7194 30.6644 178.0310 112 R 3.2608 8.3827 116.7108 59.4260 29.5275 177.4688 113 N 4.4258 8.5057 115.1278 54.7419 38.9179 176.6349 114 R 4.0774 8.1074 116.7265 55.5908 31.7171 175.2593 115 C 4.6546 7.2150 113.6837 58.0340 42.4544 173.8761 116 K 3.2271 6.4621 119.4204 57.9899 31.7041 176.9058 117 G 3.8519 8.9108 113.4486 45.4882 0.0000 172.3232 118 T 4.6434 7.5035 108.5908 59.0705 71.8802 175.3815 119 D 4.6914 8.2174 120.9754 53.5106 38.2528 176.3640 120 V 4.0306 7.9981 117.4413 64.0801 32.1043 177.3268 121 Q 4.2218 8.2819 116.5317 57.9610 28.6580 178.0065 122 A 4.0164 8.2457 122.6210 54.6416 18.0941 179.4050 123 W 4.1736 8.2718 116.9237 58.5175 28.9413 176.9184 124 I 4.4611 7.7100 111.2475 60.3550 37.6633 175.5705 125 R 4.1007 7.5396 120.4691 57.4893 30.4013 177.1578 126 G 3.9924 8.8944 109.8965 45.5232 0.0000 174.3069 127 C 4.4330 7.4810 118.4830 56.8302 40.9842 174.7991 128 R 4.3208 8.3816 122.4183 55.4146 28.2372 175.5515 129 L 4.4398 8.1980 123.1428 54.0848 42.3745 177.0074 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 8.17 4.22 0.00 1.79 1.74 0.00 1.35 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.18 7.81 2 V 8.27 4.71 2.13 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 0.97 0.00 0.00 0.98 0.00 0.00 3 F 9.64 4.20 0.00 2.97 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 4 G 8.51 4.33 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 0.00 5 R 8.88 3.18 0.00 2.24 2.07 0.00 3.63 0.00 0.00 3.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.17 0.00 6 C 8.11 4.40 0.00 3.02 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 7 E 8.12 3.97 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 8 L 8.34 3.54 0.00 1.29 1.28 -0.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.24 3.90 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 10 A 8.47 3.92 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 11 A 8.15 3.97 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 12 M 8.58 3.88 0.00 1.85 2.19 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 13 K 8.36 3.86 0.00 1.88 1.95 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 8.17 3.91 0.00 1.86 2.10 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 15 H 7.82 4.63 0.00 3.08 3.11 0.00 6.04 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.00 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 0.00 0.00 0.00 17 L 7.77 3.57 0.00 1.41 0.53 0.24 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.87 4.66 0.00 2.65 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 19 N 9.51 4.50 0.00 3.03 2.97 0.00 0.00 6.23 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 20 Y 8.40 4.19 0.00 3.14 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 21 R 8.98 3.65 0.00 2.53 2.11 0.00 3.42 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 22 G 8.52 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.36 4.39 0.00 3.42 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 24 S 8.65 4.83 0.00 4.17 4.11 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 0.00 0.00 0.00 0.00 25 L 9.55 4.29 0.00 2.04 1.87 1.00 1.06 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 26 G 8.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.59 4.57 0.00 2.66 2.43 0.00 0.00 6.91 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 28 W 8.01 3.87 0.00 3.45 3.06 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 29 V 7.84 3.56 2.25 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 1.32 0.00 0.00 1.04 0.00 0.00 30 C 8.54 2.77 0.00 2.63 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 31 A 8.21 3.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.96 4.08 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 33 K 7.82 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.39 4.21 0.00 3.02 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 35 E 8.34 4.30 0.00 1.98 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 2.60 2.63 0.00 36 S 7.87 4.55 0.00 4.12 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 0.00 37 N 8.62 3.79 0.00 2.69 2.81 0.00 0.00 7.16 6.59 0.00 0.00 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 F 7.94 4.07 0.00 3.40 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 5.15 0.00 2.87 2.89 0.00 0.00 6.96 6.66 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 40 T 9.34 4.10 4.55 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 1.65 0.00 0.00 41 Q 8.58 4.51 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 42 A 7.86 4.33 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 43 T 8.36 5.05 4.11 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 0.00 0.00 0.00 1.43 0.00 0.00 44 N 9.00 4.89 0.00 2.71 2.75 0.00 0.00 6.97 8.50 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 45 R 8.67 4.61 0.00 1.71 1.80 0.00 3.23 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 46 N 8.96 5.14 0.00 2.89 2.70 0.00 0.00 6.60 6.64 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 47 T 8.64 3.89 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 48 D 8.00 4.46 0.00 2.79 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 49 G 8.34 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 50 S 8.25 4.75 0.00 4.00 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 51 T 9.06 4.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 52 D 9.16 5.27 0.00 2.63 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 53 Y 9.17 5.02 0.00 2.92 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 54 G 9.26 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 55 I 8.25 4.21 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 2.49 0.86 0.00 0.00 56 L 7.94 4.68 0.00 1.79 1.91 0.86 0.65 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 57 Q 8.22 3.43 0.00 2.44 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 58 I 8.05 4.20 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.98 1.10 0.00 0.00 59 N 9.19 5.35 0.00 3.09 3.05 0.00 0.00 6.98 7.87 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 60 S 9.09 4.92 0.00 4.07 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.28 3.76 0.00 1.62 1.82 0.00 2.21 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 62 W 8.07 3.89 0.00 2.44 1.74 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 63 W 8.22 4.89 0.00 3.69 3.27 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 64 C 7.95 5.37 0.00 3.26 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 65 N 9.10 4.98 0.00 2.86 2.70 0.00 0.00 7.18 8.05 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 66 D 8.78 4.56 0.00 2.78 2.62 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 67 G 9.16 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 68 R 8.45 4.57 0.00 1.89 1.97 0.00 3.07 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 69 T 7.75 4.47 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 1.13 0.00 0.00 70 P 0.00 4.32 0.00 2.13 2.12 0.00 3.76 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 1.98 1.90 0.00 71 G 8.51 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 72 S 7.24 4.19 0.00 3.98 3.71 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 73 R 8.60 4.04 0.00 1.75 1.87 0.00 3.22 0.00 0.00 2.46 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 74 N 8.02 4.19 0.00 2.84 2.75 0.00 0.00 7.25 6.66 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 75 L 8.54 4.12 0.00 1.90 1.94 0.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.67 4.55 0.00 3.40 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 77 N 8.15 4.31 0.00 2.85 2.85 0.00 0.00 6.90 7.85 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 78 I 7.22 4.68 1.88 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 1.56 1.02 0.99 0.00 0.00 79 P 0.00 4.82 0.00 2.18 2.18 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 2.03 1.96 0.00 80 C 8.89 4.14 0.00 2.26 1.86 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 81 S 7.91 3.83 0.00 3.99 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 82 A 8.07 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.22 4.30 0.00 1.87 1.81 1.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.31 4.91 0.00 1.79 1.73 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.47 4.40 0.00 4.18 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 86 S 8.56 4.34 0.00 3.99 4.05 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 87 D 7.89 4.86 0.00 2.87 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 88 I 8.13 4.14 1.63 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 1.42 0.45 0.51 0.00 0.00 89 T 7.73 3.65 4.33 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 1.22 0.00 0.00 90 A 7.92 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.94 4.08 0.00 3.96 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 92 V 8.11 3.30 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.61 0.00 0.00 93 N 8.50 4.22 0.00 2.67 2.81 0.00 0.00 6.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.39 4.24 0.00 3.11 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 95 A 8.49 4.28 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 96 K 8.33 3.71 0.00 1.69 1.52 0.00 1.24 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.87 7.81 97 K 7.75 4.02 0.00 1.88 2.01 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.43 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.63 1.69 7.81 98 I 7.67 2.74 1.52 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.33 -0.33 0.00 0.00 99 V 7.96 4.17 2.54 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 1.28 0.00 0.00 1.27 0.00 0.00 100 S 8.14 4.48 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.53 0.00 2.68 2.54 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 *104 G 7.85 4.33 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 0.00 105 M 7.26 4.03 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.95 0.00 106 N 8.02 4.70 0.00 2.79 3.02 0.00 0.00 6.94 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 0.00 107 A 8.01 3.85 0.75 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 0.00 108 W 8.21 4.43 0.00 3.70 3.31 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 0.00 109 V 8.37 3.68 2.13 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 0.87 0.00 0.00 0.95 0.00 0.00 110 A 8.33 4.00 1.54 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 0.00 111 W 8.79 3.89 0.00 3.27 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 0.00 112 R 8.38 3.26 0.00 2.16 2.15 0.00 3.31 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 113 N 8.51 4.43 0.00 2.65 2.73 0.00 0.00 6.90 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 0.00 114 R 8.11 4.08 0.00 0.83 0.66 0.00 2.92 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.00 115 C 7.22 4.65 0.00 2.30 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 0.00 116 K 6.46 3.23 0.00 0.79 1.06 0.00 1.76 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.17 1.09 7.81 117 G 8.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.50 4.64 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 1.22 0.00 0.00 119 D 8.22 4.69 0.00 2.82 2.61 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 0.00 120 V 8.00 4.03 2.45 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 0.95 0.00 0.00 1.11 0.00 0.00 121 Q 8.28 4.22 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 122 A 8.25 4.02 1.14 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 0.00 123 W 8.27 4.17 0.00 3.60 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.71 4.46 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 1.04 0.00 0.00 125 R 7.54 4.10 0.00 1.91 1.88 0.00 3.15 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 126 G 8.89 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.48 4.43 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 0.00 128 R 8.38 4.32 0.00 1.83 1.77 0.00 3.20 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 129 L 8.20 4.44 0.00 1.59 1.55 1.01 0.92 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 * Residues marked with a * may have inaccurate shift predictions.