NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4716 8.3049 120.3475 55.5458 33.5536 174.8638 2 K 4.1927 7.7949 121.7258 57.2019 35.7231 172.3668 3 T 3.6889 7.8231 115.2018 65.4508 73.4106 170.0588 4 Y 4.8157 8.4854 116.5495 59.9520 46.0666 175.7519 5 V 3.6767 7.9967 118.1985 62.6642 31.9957 173.1251 6 P 4.6688 0.0000 0.0000 61.3284 32.5190 176.0034 7 K 4.2648 8.3447 120.7666 55.9374 33.6023 176.4623 8 Q 4.0531 8.4424 118.3783 56.6542 29.1636 177.0283 9 V 4.4431 7.9009 118.9388 60.6626 34.7393 174.7205 10 E 4.2114 8.7017 126.1017 54.9726 29.6789 174.5810 11 P 4.6064 0.0000 0.0000 62.8924 32.5893 175.5817 12 R 4.6415 8.6849 123.0922 55.2380 31.7098 175.6808 13 W 4.9535 9.0091 125.8890 56.4527 31.1197 175.6812 14 V 4.6876 8.2835 118.1006 62.0191 34.9318 172.1689 15 L 5.2237 8.1844 129.0579 53.6684 45.1956 174.8169 16 I 4.3409 8.1433 121.0438 60.4988 42.0929 172.9837 17 D 4.7290 8.6355 128.1092 52.3219 41.6213 174.4860 18 A 4.4230 8.2737 131.4918 53.3080 19.5020 180.5463 19 E 4.2008 8.7747 120.8507 60.9647 29.9533 179.5831 20 G 3.8132 7.7360 104.4771 45.3230 0.0000 173.1485 21 K 4.4661 8.7098 121.6322 54.9384 35.1450 175.9579 22 T 5.3297 8.5003 117.9568 61.9780 69.1347 174.6246 23 L 4.0997 8.5318 127.7620 57.6675 40.6379 176.0368 24 G 4.3859 9.3904 114.5993 46.6440 0.0000 176.1821 25 R 3.9748 7.7514 117.6965 58.2131 30.3308 178.6311 26 L 4.0627 8.1602 120.1523 57.9538 42.2401 178.3742 27 A 3.9438 8.0891 120.2429 55.7250 18.2853 178.9528 28 T 3.7726 7.7417 111.0912 65.5433 67.2670 175.9802 29 K 3.9039 7.8812 119.3266 59.6315 31.9876 178.9376 30 I 3.6251 7.4712 118.2911 64.4129 37.2321 177.8446 31 A 4.1234 8.5000 121.5444 55.7309 18.1284 179.6408 32 T 3.7212 7.8821 113.9260 67.0195 68.3732 176.8257 33 L 3.9806 8.0366 120.5393 57.3176 41.2989 179.6549 34 L 3.8608 7.8094 118.8744 57.0253 42.0606 178.1068 35 R 4.3555 7.3694 116.2248 56.3823 30.9584 176.3069 36 G 4.3510 9.1434 106.8957 45.3026 0.0000 175.6930 37 K 3.5813 7.6550 119.2900 57.6293 32.2595 178.1395 38 H 4.5603 8.0225 113.6117 56.5033 29.2285 175.8130 39 R 3.9862 7.7224 122.0338 55.6907 30.3158 174.4189 40 P 4.8327 0.0000 0.0000 63.2857 31.3530 176.4975 41 D 4.6109 8.2382 119.2318 55.8077 41.5147 176.3276 42 W 4.3832 7.3666 126.6514 56.5528 31.2122 175.0991 43 T 4.1817 6.9707 121.3617 61.3704 71.8631 171.9291 44 P 3.7712 0.0000 0.0000 63.0219 32.2623 175.8486 45 N 4.6728 7.7575 115.3383 52.7200 37.6939 175.5679 46 V 4.0146 6.9637 116.6917 60.2618 33.8805 174.9541 47 A 3.5764 7.7904 121.7434 53.3650 15.0640 176.6123 48 M 4.7048 8.5442 119.2870 51.7875 34.1463 175.8751 49 G 4.3508 8.4832 113.8157 44.5181 0.0000 171.7111 50 D 5.3105 7.4373 120.9930 53.9415 41.6056 176.7770 51 F 3.7810 8.7974 121.5998 57.2468 40.1864 174.1864 52 V 4.1941 8.3201 123.7633 61.0545 33.9517 174.1703 53 V 5.3341 8.7828 128.7876 60.7393 33.5068 174.3169 54 V 5.3954 8.2953 127.7020 60.9233 33.4933 175.2615 55 V 4.5467 8.3953 127.5117 60.7844 33.9596 174.4872 56 N 4.1165 8.6636 116.9630 53.9147 36.0254 174.6792 57 A 4.1384 7.6962 121.4728 53.5127 19.2675 177.2650 58 D 3.9498 9.5907 113.5416 55.0086 40.0164 175.1220 59 K 3.6672 8.6428 117.0978 57.4487 31.2212 176.6773 60 I 4.3010 8.0847 112.2421 60.9976 37.6021 176.4531 61 R 4.4452 9.5940 127.3729 55.7630 31.4279 175.9475 62 V 4.8246 8.1170 121.4112 59.5610 34.5132 174.5113 63 T 4.3908 9.1227 114.2647 61.5777 68.7403 177.3647 64 G 4.4582 8.3895 102.5503 45.2355 0.0000 176.4433 65 K 4.4266 8.4912 118.5467 54.5196 31.4100 176.1505 66 K 4.4691 7.7746 126.3126 55.2786 32.3967 177.8613 67 L 4.4096 7.6691 119.7578 54.0793 42.5039 176.7733 68 E 3.8846 8.9228 120.7371 57.3428 27.8359 176.0454 69 Q 4.0347 8.3785 118.0435 58.5650 29.3029 176.3751 70 K 4.0997 7.9577 121.9819 56.5415 33.0220 174.9748 71 I 4.7732 8.2526 128.4360 59.3212 39.3326 175.8584 72 Y 4.2149 8.3147 123.9822 63.8232 36.7994 179.6254 73 T 3.2102 8.1919 113.9665 63.4093 70.5035 177.3576 74 R 3.1483 7.8983 115.5589 58.7196 30.3220 176.6854 75 Y 4.3346 9.9037 121.4894 56.8223 37.3153 174.4996 76 S 5.0320 8.4407 120.4039 56.0800 62.9731 173.3376 77 G 3.5886 8.1540 120.1617 45.6028 0.0000 172.4158 78 Y 5.1308 7.2014 130.0510 55.6969 39.6422 172.8037 79 P 4.7995 0.0000 0.0000 62.9221 33.4257 174.7659 80 G 4.3030 7.7502 111.8111 45.1345 0.0000 172.8218 81 G 4.1730 7.6438 110.3985 43.7169 0.0000 173.9367 82 L 4.8751 7.5494 125.5134 59.7842 40.8173 178.0840 83 K 4.6541 6.6743 117.8216 53.9041 31.2700 173.5296 84 K 4.7389 8.4038 124.6332 54.7052 34.9445 176.3208 85 I 4.5659 8.2137 124.1673 58.7894 40.6685 172.9176 86 P 4.7471 0.0000 0.0000 62.7303 32.1479 177.1749 87 L 4.0922 8.8184 122.9528 58.5727 41.8962 178.9557 88 E 3.9290 8.3478 117.8596 59.7096 29.2480 179.1577 89 K 3.8235 7.8208 117.6454 60.1441 32.2945 179.0480 90 M 4.0774 8.0405 117.9297 58.5837 31.6070 178.7741 91 L 4.0032 7.5995 117.2859 56.0304 42.0268 179.4170 92 A 4.1537 8.3891 118.4434 52.4769 18.1691 179.0247 93 T 3.3877 5.7900 113.3800 63.2376 68.3824 173.5863 94 H 4.1402 8.5650 116.3399 56.0690 26.8533 171.9332 95 P 5.1449 0.0000 0.0000 63.2066 32.0529 178.2694 96 E 4.0979 8.1513 117.2875 58.9559 29.6955 178.9764 97 R 3.8620 7.8576 118.6092 59.5996 30.0245 179.6648 98 V 3.3547 7.0035 117.1046 65.4522 32.4717 177.6575 99 L 3.9431 7.9588 119.7570 58.4807 42.0030 177.9654 100 E 3.9943 7.8657 118.2458 60.5737 29.4424 178.7750 101 H 4.1010 8.8776 114.8044 59.6819 28.6949 176.9777 102 A 3.9413 8.2910 122.4471 55.9657 18.6120 179.2428 103 V 3.7084 8.5309 115.5732 65.9978 31.6024 178.1848 104 K 4.1676 8.5742 119.4734 59.7165 31.7477 178.9270 105 G 3.9350 7.7781 100.9567 45.4509 0.0000 173.5811 106 M 4.7325 7.9451 118.0893 54.3345 33.8923 176.0417 107 L 4.4134 8.0276 119.7988 52.8376 43.0227 175.0289 108 P 4.4635 0.0000 0.0000 62.8463 31.7009 177.2280 109 K 4.1722 8.4692 117.8326 58.2413 33.8253 178.2423 110 G 3.9079 7.6182 108.9131 44.7695 0.0000 171.8301 111 P 4.2720 0.0000 0.0000 65.2229 31.2570 178.4780 112 L 4.0007 7.8903 119.0293 58.1732 42.3438 178.7925 113 G 4.3800 8.0949 106.5216 47.4611 0.0000 175.4466 114 R 3.9741 7.6952 118.9305 59.0755 29.8347 178.8614 115 R 4.0615 7.8597 118.2116 59.2281 30.0755 178.6049 116 L 3.8855 8.3945 119.3904 57.7539 41.7782 179.1259 117 F 4.1966 8.1452 120.0622 61.2291 38.9820 177.1521 118 K 4.0916 7.6621 115.9108 58.5048 32.1017 177.8384 119 R 3.7848 8.0195 117.8095 55.9772 30.0063 174.9236 120 L 4.7512 7.1179 120.9313 53.1732 43.6738 176.0058 121 K 4.2242 8.9574 127.2243 54.7162 34.1855 175.0065 122 V 4.6212 7.7901 124.9620 61.2981 33.3087 174.5377 123 Y 4.8107 9.1175 124.5029 55.3644 41.7265 176.1655 124 A 4.6427 8.4808 127.1512 51.3703 17.4654 178.7966 125 G 4.1610 7.7699 111.8561 43.9005 0.0000 169.0083 126 P 4.3584 0.0000 0.0000 63.0026 32.7233 171.9873 127 D 4.3509 8.6997 124.2630 54.9254 37.3783 173.6124 128 H 4.2148 7.9540 121.7536 52.1307 27.3990 170.6271 129 P 3.9201 0.0000 0.0000 64.7522 30.8338 176.8208 130 H 4.7196 7.7952 131.7472 57.1506 30.1332 174.4345 131 Q 3.8607 7.2632 117.3565 56.4071 29.5623 176.6078 132 A 4.4903 7.6608 123.4998 51.2804 19.8072 175.8746 133 Q 4.4265 7.2658 113.5201 55.9628 32.1782 174.8858 134 R 4.7246 8.3206 121.0083 54.4568 29.8588 173.2957 135 P 4.3333 0.0000 0.0000 63.3584 32.6847 176.8973 136 E 4.3933 8.7648 127.0312 56.4509 29.8514 176.0494 137 K 4.4885 8.7474 129.0915 55.3577 33.9740 175.8803 138 L 4.4970 8.3505 126.5780 53.5304 43.7787 177.2850 *139 E 4.1515 8.7721 118.8411 56.1112 30.3597 171.9643 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 M 8.30 4.47 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 K 7.79 4.19 0.00 1.68 1.38 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.47 7.81 3 T 7.82 3.69 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 1.27 0.00 0.00 4 Y 8.49 4.82 0.00 2.93 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 5 V 8.00 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 0.82 0.00 0.00 0.95 0.00 0.00 6 P 0.00 4.67 0.00 2.21 2.03 0.00 3.80 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 1.91 2.08 0.00 7 K 8.34 4.26 0.00 1.89 1.86 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 8 Q 8.44 4.05 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 9 V 7.90 4.44 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 0.84 0.00 0.00 1.02 0.00 0.00 10 E 8.70 4.21 0.00 1.99 1.91 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 2.32 2.41 0.00 11 P 0.00 4.61 0.00 2.49 2.30 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 12 R 8.68 4.64 0.00 2.01 2.09 0.00 3.24 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 13 W 9.01 4.95 0.00 3.28 3.33 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 14 V 8.28 4.69 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 0.90 0.00 0.00 1.07 0.00 0.00 15 L 8.18 5.22 0.00 1.68 1.48 0.94 1.17 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 16 I 8.14 4.34 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.16 1.00 0.00 0.00 17 D 8.64 4.73 0.00 2.70 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 18 A 8.27 4.42 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 19 E 8.77 4.20 0.00 2.21 2.73 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 2.50 2.38 0.00 20 G 7.74 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 21 K 8.71 4.47 0.00 1.82 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 22 T 8.50 5.33 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 1.22 0.00 0.00 23 L 8.53 4.10 0.00 1.68 1.73 1.02 0.59 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 24 G 9.39 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 0.00 0.00 0.00 0.00 25 R 7.75 3.97 0.00 1.95 2.00 0.00 3.21 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 L 8.16 4.06 0.00 1.77 1.74 0.91 0.92 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 27 A 8.09 3.94 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 28 T 7.74 3.77 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 1.26 0.00 0.00 29 K 7.88 3.90 0.00 1.95 1.81 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.68 7.81 30 I 7.47 3.63 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.85 0.00 0.00 31 A 8.50 4.12 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 32 T 7.88 3.72 4.30 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 1.12 0.00 0.00 33 L 8.04 3.98 0.00 1.98 1.64 0.55 0.40 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 34 L 7.81 3.86 0.00 1.70 1.69 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.37 4.36 0.00 1.70 2.21 0.00 3.21 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 36 G 9.14 4.35 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 0.00 37 K 7.65 3.58 0.00 1.50 1.55 0.00 1.21 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.46 0.21 7.81 38 H 8.02 4.56 0.00 3.26 3.37 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.72 3.99 0.00 1.90 1.94 0.00 3.11 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 40 P 0.00 4.83 0.00 2.26 2.15 0.00 3.82 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 2.00 2.00 0.00 41 D 8.24 4.61 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 7.37 4.38 0.00 3.66 2.99 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 43 T 6.97 4.18 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 1.04 0.00 0.00 44 P 0.00 3.77 0.00 2.14 2.23 0.00 3.50 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 45 N 7.76 4.67 0.00 2.77 2.87 0.00 0.00 5.84 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 46 V 6.96 4.01 1.91 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 0.60 0.00 0.00 0.86 0.00 0.00 47 A 7.79 3.58 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 48 M 8.54 4.70 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 49 G 8.48 4.35 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 0.00 50 D 7.44 5.31 0.00 2.67 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 51 F 8.80 3.78 0.00 1.51 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 52 V 8.32 4.19 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 0.96 0.00 0.00 0.85 0.00 0.00 53 V 8.78 5.33 2.28 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 1.21 0.00 0.00 1.15 0.00 0.00 54 V 8.30 5.40 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 55 V 8.40 4.55 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 0.98 0.00 0.00 1.00 0.00 0.00 56 N 8.66 4.12 0.00 3.15 2.88 0.00 0.00 6.81 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 57 A 7.70 4.14 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 58 D 9.59 3.95 0.00 2.94 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 59 K 8.64 3.67 0.00 1.95 2.02 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.37 7.81 60 I 8.08 4.30 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.65 0.98 0.00 0.00 61 R 9.59 4.45 0.00 1.75 1.89 0.00 3.23 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 62 V 8.12 4.82 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 0.79 0.00 0.00 0.96 0.00 0.00 63 T 9.12 4.39 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 64 G 8.39 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 65 K 8.49 4.43 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 66 K 7.77 4.47 0.00 1.81 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 67 L 7.67 4.41 0.00 1.71 1.74 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.92 3.88 0.00 2.08 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 2.24 2.63 0.00 69 Q 8.38 4.03 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 70 K 7.96 4.10 0.00 1.86 1.74 0.00 1.23 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.56 1.40 7.81 71 I 8.25 4.77 1.85 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 1.37 0.95 0.97 0.00 0.00 72 Y 8.31 4.21 0.00 3.08 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 73 T 8.19 3.21 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 1.25 0.00 0.00 74 R 7.90 3.15 0.00 2.41 2.09 0.00 3.23 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 75 Y 9.90 4.33 0.00 2.97 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 76 S 8.44 5.03 0.00 3.85 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 77 G 8.15 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.20 5.13 0.00 2.96 2.97 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 79 P 0.00 4.80 0.00 2.30 2.50 0.00 4.10 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 80 G 7.75 4.30 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 0.00 81 G 7.64 4.17 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 0.00 0.00 0.00 82 L 7.55 4.88 0.00 1.75 1.73 0.94 0.57 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 83 K 6.67 4.65 0.00 1.79 1.85 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.41 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.27 1.44 7.81 84 K 8.40 4.74 0.00 1.65 1.70 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.43 7.81 85 I 8.21 4.57 1.84 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 1.21 1.30 0.83 0.00 0.00 86 P 0.00 4.75 0.00 2.14 2.22 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 2.09 1.99 0.00 87 L 8.82 4.09 0.00 2.00 1.96 1.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.35 3.93 0.00 2.06 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 2.43 2.53 0.00 89 K 7.82 3.82 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.63 7.81 90 M 8.04 4.08 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.41 0.00 91 L 7.60 4.00 0.00 1.80 1.73 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.39 4.15 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 93 T 5.79 3.39 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 1.17 0.00 0.00 94 H 8.57 4.14 0.00 3.43 3.61 0.00 5.19 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.14 0.00 2.24 2.50 0.00 3.89 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 2.03 1.91 0.00 96 E 8.15 4.10 0.00 2.09 2.26 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 2.35 2.27 0.00 97 R 7.86 3.86 0.00 1.87 1.81 0.00 3.12 0.00 0.00 3.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 98 V 7.00 3.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.83 0.00 0.00 99 L 7.96 3.94 0.00 1.76 1.64 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.87 3.99 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 101 H 8.88 4.10 0.00 3.44 3.53 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.29 3.94 1.46 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 0.00 103 V 8.53 3.71 2.18 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 1.00 0.00 0.00 1.01 0.00 0.00 104 K 8.57 4.17 0.00 1.64 2.16 0.00 1.29 0.00 0.00 1.35 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.31 7.81 105 G 7.78 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 7.95 4.73 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 107 L 8.03 4.41 0.00 1.80 1.64 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.46 0.00 2.24 2.22 0.00 3.73 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 2.12 2.04 0.00 109 K 8.47 4.17 0.00 1.87 1.96 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 110 G 7.62 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 0.00 111 P 0.00 4.27 0.00 2.16 2.10 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 112 L 7.89 4.00 0.00 1.73 1.65 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.09 4.38 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 0.00 114 R 7.70 3.97 0.00 2.07 2.02 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 115 R 7.86 4.06 0.00 2.09 2.06 0.00 3.09 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 116 L 8.39 3.89 0.00 1.84 1.66 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.15 4.20 0.00 3.18 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 0.00 118 K 7.66 4.09 0.00 1.92 1.88 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.82 7.81 119 R 8.02 3.78 0.00 1.55 1.03 0.00 2.21 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.14 0.00 120 L 7.12 4.75 0.00 1.32 1.19 0.60 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.96 4.22 0.00 1.72 1.71 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.80 7.81 122 V 7.79 4.62 1.91 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 0.81 0.00 0.00 0.82 0.00 0.00 123 Y 9.12 4.81 0.00 2.98 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 0.00 124 A 8.48 4.64 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 0.00 125 G 7.77 4.16 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 0.00 0.00 0.00 126 P 0.00 4.36 0.00 2.21 2.27 0.00 3.86 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 1.99 2.00 0.00 127 D 8.70 4.35 0.00 2.83 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 0.00 128 H 7.95 4.21 0.00 3.26 3.49 0.00 5.48 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 3.92 0.00 2.04 2.02 0.00 3.30 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 130 H 7.80 4.72 0.00 3.04 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.26 3.86 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.26 0.00 132 A 7.66 4.49 1.05 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 0.00 0.00 133 Q 7.27 4.43 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.28 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 134 R 8.32 4.72 0.00 1.92 2.10 0.00 3.14 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 135 P 0.00 4.33 0.00 2.18 2.32 0.00 3.84 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 2.39 2.04 0.00 136 E 8.76 4.39 0.00 2.02 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 0.00 2.30 2.33 0.00 137 K 8.75 4.49 0.00 1.81 1.67 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.41 7.81 138 L 8.35 4.50 0.00 1.63 1.55 0.93 0.87 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 *139 E 8.77 4.15 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.