NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 E 4.1444 8.4444 118.7997 56.0473 31.7897 175.7126 -5 N 4.3993 7.4669 122.7957 51.1025 38.0259 173.8414 -4 L 4.2156 8.7331 127.0037 56.3676 42.6923 177.6516 -3 Y 4.8536 8.3336 115.9260 58.4987 38.5913 175.0850 -2 F 5.0148 8.3226 122.7997 57.8632 39.7456 175.2002 -1 Q 4.3420 9.1420 126.1251 53.6050 31.0975 176.1376 0 G 3.6813 8.0489 106.3365 45.9081 0.0000 171.3403 -4 P 4.2956 0.0000 0.0000 64.5676 32.3923 177.3516 -3 H 5.0336 8.6336 113.8260 55.5987 29.7913 173.2850 -2 L 4.7348 8.1826 124.2997 55.2632 42.5456 177.0002 -1 V 4.1220 8.8520 125.5251 60.1050 34.5975 176.4376 0 I 3.8913 7.7189 117.4365 61.9081 35.7903 172.8403 7 E 4.8822 9.2409 126.4712 54.3181 32.5939 174.9740 8 A 4.9348 8.2210 125.2267 49.7897 22.7151 175.6002 9 T 3.4334 7.9229 112.5437 61.2317 69.2866 175.6581 10 A 4.0492 8.0950 126.6964 54.6034 18.5520 178.3231 11 N 4.6313 7.2099 109.7443 53.2924 38.0730 175.3317 12 L 4.1375 7.5829 122.5333 55.3124 42.9719 176.0398 13 R 4.7073 9.0888 125.1591 54.5200 32.4874 175.3680 14 L 5.2382 8.3884 122.5483 52.9660 44.8017 176.4218 15 E 4.3460 9.4911 119.7169 58.4644 30.5664 176.6730 16 T 4.6579 7.4796 107.9404 58.7059 72.3743 173.7703 17 S 4.2741 8.2135 115.7998 57.5242 64.9582 172.9947 18 P 3.7220 0.0000 0.0000 65.5815 30.8635 179.1755 19 G 3.4950 7.7332 103.8880 47.8351 0.0000 175.2408 20 E 3.9879 8.0901 121.7842 58.5145 29.5168 178.5325 21 L 3.9460 7.9673 120.6907 58.0747 42.0671 178.8725 22 L 4.0228 8.1272 119.0746 57.9272 41.4780 179.3478 23 E 3.9692 8.2308 118.3726 59.5790 29.3152 179.5570 24 Q 3.9823 8.3224 117.8269 58.7565 28.7658 178.4763 25 A 4.0194 8.3220 122.1356 55.3846 18.3763 179.4647 26 N 4.2822 8.5752 115.0813 56.3008 38.5207 177.3255 27 A 4.1089 8.4039 122.3284 55.3597 18.2439 179.5699 28 A 3.9821 8.1537 118.1050 55.2658 18.6159 179.5804 29 L 4.2792 8.2226 117.5722 58.0855 41.7703 179.5582 30 F 4.6066 8.8316 120.7757 61.3413 39.1003 176.9561 31 A 3.9719 8.2803 119.9456 54.6954 18.1724 179.3630 32 S 4.1665 7.7453 112.2595 59.4802 62.9564 175.6587 33 G 3.7138 7.5762 109.4117 46.0330 0.0000 174.1659 34 Q 4.0044 7.3422 117.7412 56.0242 29.2891 175.9008 35 F 5.1590 7.4816 115.0496 55.1750 43.2090 174.6855 36 G 3.9821 8.7275 112.5205 45.2793 0.0000 174.7562 37 E 3.5257 8.7946 120.0733 58.7283 29.7578 178.9552 38 A 4.0842 7.8219 120.7497 54.2137 18.6003 177.7443 39 D 4.5169 7.8934 114.6883 55.9206 41.2490 176.5480 40 I 4.0502 7.3604 120.1140 60.5183 37.3267 175.8844 41 K 4.6313 8.5009 127.4328 54.5389 34.1093 175.9328 42 S 6.0367 8.6827 119.4361 56.7595 66.0225 173.5042 43 R 4.8219 8.4088 116.0450 54.9223 32.3835 173.6737 44 F 5.5036 8.8724 122.6726 56.5343 42.2024 174.1727 45 V 4.4344 7.6855 124.9788 61.3615 34.2532 173.9909 46 T 4.7725 8.6475 124.8025 62.7704 69.8984 174.1414 47 L 4.4617 8.9253 127.3408 53.7917 42.3782 177.4462 48 E 4.2295 9.1018 123.6761 57.0769 30.2312 176.1189 49 A 4.5425 7.9880 120.5021 50.4101 20.2131 174.4460 50 Y 5.0409 7.5237 118.2505 56.6114 40.9956 174.8333 51 R 4.7056 8.4937 119.1621 54.6902 34.2787 174.4834 52 Q 4.4442 8.4560 121.5807 54.9160 31.8215 175.9728 53 G 3.8093 8.8034 115.9839 46.5629 0.0000 172.9463 54 T 4.4679 8.3866 107.3549 61.1194 70.6419 174.5466 55 A 4.1147 7.9312 124.3999 52.2293 19.4775 177.1880 56 A 4.6285 8.2195 123.5266 51.2507 18.5139 178.1060 57 V 4.5539 7.1223 119.6998 59.5018 35.2117 175.2383 58 E 4.2876 9.1299 123.8757 56.4240 30.5680 175.5121 59 R 5.1247 8.7221 124.1339 54.4749 34.3913 174.1221 60 A 4.9244 8.6731 122.2844 50.4793 22.3120 174.8206 61 Y 5.1134 8.1144 116.6389 55.6054 42.5015 173.7558 62 L 5.2007 9.0587 121.5895 53.8975 45.7232 174.4922 63 H 5.6267 9.5685 125.3201 54.4820 33.7675 171.7095 64 A 5.7773 8.8193 125.2850 50.3274 22.9028 174.5670 65 C 4.9434 8.5076 119.7095 57.5608 34.1673 172.8232 66 L 4.9570 8.9912 129.9660 53.9017 43.3539 175.0548 67 S 5.3008 8.6918 122.7659 56.8016 64.9192 173.4439 68 I 4.6369 8.4763 117.6284 58.4514 41.2273 174.8495 69 L 4.3676 8.2918 122.6169 54.1867 42.0920 177.1818 70 D 4.8314 7.9895 121.1916 53.7268 39.7629 175.8712 71 G 3.9034 8.6343 107.6839 45.9053 0.0000 174.7085 72 R 4.3263 7.7368 118.4915 55.2477 31.4885 176.1662 73 D 4.7050 8.2210 120.0198 52.2982 42.1067 177.2644 74 A 3.9461 8.4583 120.8669 55.3491 18.2023 179.6073 75 A 3.9214 7.9700 118.5949 55.5872 18.5111 179.7009 76 T 3.7854 8.5664 114.5152 66.9631 68.5805 176.9815 77 R 3.9515 7.9281 119.7882 59.3295 30.1103 178.9582 78 Q 3.9358 8.4169 119.3359 59.1024 29.0501 178.1192 79 A 4.0106 8.2527 121.9750 55.1129 18.5039 179.5454 80 L 4.0887 8.1400 117.6364 57.9339 41.6636 180.0573 81 G 3.6163 8.0846 105.5704 47.9176 0.0000 175.6745 82 E 4.0072 8.3441 121.2813 58.9298 29.5829 179.1911 83 S 4.0990 8.2236 113.2872 61.6185 62.3634 176.4237 84 L 4.0447 7.8895 121.3010 57.8802 41.3607 178.9767 85 C 4.0928 8.5315 119.1284 62.3733 31.4495 175.4496 86 E 3.9474 8.3845 120.3321 59.3905 28.8693 179.4802 87 V 3.5995 7.4061 116.2853 65.9918 31.9651 177.8051 88 L 4.1454 8.1789 118.5366 57.8483 41.5997 179.3366 89 A 4.1205 8.5559 121.2579 55.2131 18.1022 179.9135 90 G 3.6380 8.0681 102.8525 47.5338 0.0000 175.0476 91 A 4.3712 7.8929 121.6580 52.1639 18.6408 177.0360 92 V 3.9837 7.1823 117.6303 62.3942 31.9370 175.4684 93 A 4.5781 8.7741 130.3382 50.7483 19.9819 176.8849 94 G 3.9563 7.8240 102.4712 45.6924 0.0000 170.2607 95 G 4.4578 9.2204 114.0039 45.7873 0.0000 174.4946 96 G 3.9132 8.1284 113.0535 45.2234 0.0000 172.9379 97 E 4.5637 8.8557 118.9473 56.1499 30.3152 175.4350 98 E 4.5612 7.5824 115.8546 54.9554 32.1774 174.9258 99 G 3.7651 8.6133 107.2063 46.1001 0.0000 172.6568 100 V 4.5284 7.9737 119.3892 60.8588 33.3949 175.1270 101 Q 4.2700 8.7857 127.6038 55.8218 29.8344 175.0635 102 V 5.1808 8.4488 123.9435 61.1667 34.0463 174.6501 103 S 4.8164 8.9609 120.7970 56.9377 66.9871 173.0854 104 V 4.7271 8.1840 120.4336 61.4286 34.0993 173.9622 105 E 4.5045 9.1259 129.6491 55.1221 31.5036 174.7806 106 V 4.9295 8.3853 126.0776 61.1974 33.4038 174.5971 107 R 4.7608 9.0588 124.2708 54.7123 32.8138 174.8520 108 E 5.7772 8.1585 118.2362 53.6566 32.3500 174.1610 *110 E 4.4300 8.4077 119.3646 56.4573 30.3933 176.7724 111 R 3.8538 8.8778 127.6714 59.3860 30.3580 178.4315 112 A 4.0675 8.1600 119.3738 54.4673 18.3261 177.8621 113 S 4.6509 7.6039 107.1439 58.0080 63.8584 173.5423 114 Y 4.1926 7.9100 123.3683 57.3565 38.9891 174.2594 115 A 4.7318 7.8324 129.9393 50.2341 21.4127 175.5636 116 K 4.6040 8.0264 118.7836 55.8942 35.5014 175.5596 117 R 4.7771 8.3743 117.8058 55.2928 34.0255 174.5040 118 V 4.0743 8.1737 120.0669 61.0293 32.9184 175.3231 119 V 3.9358 8.2240 127.4066 61.0878 31.2920 175.2963 120 A 4.1470 8.2663 130.2674 51.9960 19.0567 176.9765 121 R 4.0980 8.2924 118.3373 56.6307 30.1893 176.2823 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 -6 E 8.44 4.14 0.00 2.08 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 2.17 2.31 0.00 -5 N 7.47 4.40 0.00 2.74 2.82 0.00 0.00 7.30 5.79 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 -4 L 8.73 4.22 0.00 1.26 1.55 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.33 4.85 0.00 3.17 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 -2 F 8.32 5.01 0.00 3.04 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 -1 Q 9.14 4.34 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.03 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 0 G 8.05 3.68 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 0.00 0.00 0.00 -4 P 0.00 4.30 0.00 1.93 1.87 0.00 3.75 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 -3 H 8.63 5.03 0.00 3.43 3.18 0.00 5.08 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 L 8.18 4.73 0.00 1.52 1.76 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 -1 V 8.85 4.12 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 0.89 0.00 0.00 0.93 0.00 0.00 0 I 7.72 3.89 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 1.35 0.61 0.91 0.00 0.00 7 E 9.24 4.88 0.00 1.81 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 2.14 2.17 0.00 8 A 8.22 4.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.92 3.43 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 -0.43 0.00 0.00 10 A 8.10 4.05 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 11 N 7.21 4.63 0.00 2.86 3.05 0.00 0.00 6.90 7.67 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 12 L 7.58 4.14 0.00 1.60 1.66 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.09 4.71 0.00 1.87 1.80 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 14 L 8.39 5.24 0.00 1.61 1.56 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.49 4.35 0.00 1.84 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 2.46 2.40 0.00 16 T 7.48 4.66 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 1.20 0.00 0.00 17 S 8.21 4.27 0.00 3.96 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 18 P 0.00 3.72 0.00 1.53 0.49 0.00 3.38 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 1.74 1.66 0.00 19 G 7.73 3.49 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 0.00 0.00 0.00 0.00 20 E 8.09 3.99 0.00 2.09 1.90 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 2.28 2.33 0.00 21 L 7.97 3.95 0.00 1.77 1.79 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.13 4.02 0.00 1.90 1.72 0.97 1.29 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 23 E 8.23 3.97 0.00 2.17 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 0.00 2.32 2.56 0.00 24 Q 8.32 3.98 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 25 A 8.32 4.02 1.41 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 0.00 0.00 26 N 8.58 4.28 0.00 2.94 2.87 0.00 0.00 6.95 7.52 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 27 A 8.40 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.15 3.98 1.41 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 0.00 0.00 29 L 8.22 4.28 0.00 1.96 1.90 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.83 4.61 0.00 3.15 3.25 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 31 A 8.28 3.97 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 32 S 7.75 4.17 0.00 3.90 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 33 G 7.58 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 0.00 0.00 0.00 34 Q 7.34 4.00 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.61 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 35 F 7.48 5.16 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.73 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.79 3.53 0.00 1.34 1.12 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 1.90 2.12 0.00 38 A 7.82 4.08 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 39 D 7.89 4.52 0.00 3.00 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 40 I 7.36 4.05 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.59 0.87 0.00 0.00 41 K 8.50 4.63 0.00 1.50 1.73 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.49 7.81 42 S 8.68 6.04 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.82 0.00 1.83 1.92 0.00 3.17 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 44 F 8.87 5.50 0.00 3.03 2.86 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 45 V 7.69 4.43 1.95 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 0.93 0.00 0.00 0.91 0.00 0.00 46 T 8.65 4.77 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 47 L 8.93 4.46 0.00 1.30 1.62 0.81 0.78 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 48 E 9.10 4.23 0.00 2.00 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 2.32 2.27 0.00 49 A 7.99 4.54 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 50 Y 7.52 5.04 0.00 3.11 2.86 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 51 R 8.49 4.71 0.00 1.80 1.84 0.00 3.28 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 52 Q 8.46 4.44 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 53 G 8.80 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 0.00 0.00 0.00 54 T 8.39 4.47 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 55 A 7.93 4.11 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 56 A 8.22 4.63 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 57 V 7.12 4.55 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 0.79 0.00 0.00 1.02 0.00 0.00 58 E 9.13 4.29 0.00 2.18 1.90 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 2.46 2.41 0.00 59 R 8.72 5.12 0.00 1.80 1.98 0.00 3.27 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 60 A 8.67 4.92 1.15 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 0.00 0.00 61 Y 8.11 5.11 0.00 3.11 2.95 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 62 L 9.06 5.20 0.00 1.76 1.53 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.57 5.63 0.00 3.27 3.13 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.82 5.78 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 65 C 8.51 4.94 0.00 2.93 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 L 8.99 4.96 0.00 1.76 1.51 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.69 5.30 0.00 3.78 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 68 I 8.48 4.64 1.93 0.00 0.00 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 1.37 0.74 0.93 0.00 0.00 69 L 8.29 4.37 0.00 1.47 1.53 0.77 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.99 4.83 0.00 2.75 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 71 G 8.63 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 0.00 0.00 0.00 72 R 7.74 4.33 0.00 1.82 1.86 0.00 3.36 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 73 D 8.22 4.71 0.00 2.94 2.80 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 74 A 8.46 3.95 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 75 A 7.97 3.92 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 76 T 8.57 3.79 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 1.20 0.00 0.00 77 R 7.93 3.95 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 78 Q 8.42 3.94 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 79 A 8.25 4.01 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 80 L 8.14 4.09 0.00 1.92 1.81 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.08 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 0.00 0.00 0.00 82 E 8.34 4.01 0.00 2.01 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 2.50 2.46 0.00 83 S 8.22 4.10 0.00 3.91 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 84 L 7.89 4.04 0.00 1.93 1.71 0.93 0.78 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 85 C 8.53 4.09 0.00 3.09 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 86 E 8.38 3.95 0.00 2.29 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 0.00 2.34 2.52 0.00 87 V 7.41 3.60 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 0.90 0.00 0.00 1.03 0.00 0.00 88 L 8.18 4.15 0.00 1.87 1.72 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.56 4.12 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 90 G 8.07 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 91 A 7.89 4.37 1.41 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 0.00 0.00 92 V 7.18 3.98 2.23 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 0.81 0.00 0.00 0.99 0.00 0.00 93 A 8.77 4.58 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 94 G 7.82 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 95 G 9.22 4.46 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 0.00 0.00 0.00 96 G 8.13 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 97 E 8.86 4.56 0.00 1.92 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 0.00 2.27 2.24 0.00 98 E 7.58 4.56 0.00 2.02 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 0.00 2.19 2.32 0.00 99 G 8.61 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 0.00 100 V 7.97 4.53 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 0.94 0.00 0.00 0.95 0.00 0.00 101 Q 8.79 4.27 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 102 V 8.45 5.18 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 0.86 0.00 0.00 0.96 0.00 0.00 103 S 8.96 4.82 0.00 3.95 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 0.00 104 V 8.18 4.73 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 0.78 0.00 0.00 0.95 0.00 0.00 105 E 9.13 4.50 0.00 2.13 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 2.26 2.26 0.00 106 V 8.39 4.93 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 0.91 0.00 0.00 1.03 0.00 0.00 107 R 9.06 4.76 0.00 1.86 2.18 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 108 E 8.16 5.78 0.00 2.01 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 2.28 2.21 0.00 *110 E 8.41 4.43 0.00 2.04 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 0.00 2.39 2.32 0.00 111 R 8.88 3.85 0.00 1.96 1.93 0.00 3.16 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 112 A 8.16 4.07 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 0.00 113 S 7.60 4.65 0.00 3.98 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 0.00 114 Y 7.91 4.19 0.00 3.13 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.83 4.73 1.11 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 0.00 0.00 116 K 8.03 4.60 0.00 1.71 1.48 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.19 1.36 7.81 117 R 8.37 4.78 0.00 1.81 1.85 0.00 3.18 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 118 V 8.17 4.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.20 0.00 0.00 119 V 8.22 3.94 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 0.84 0.00 0.00 0.93 0.00 0.00 120 A 8.27 4.15 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 0.00 121 R 8.29 4.10 0.00 1.74 1.79 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.