NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3817 8.3349 115.4121 57.9454 64.3219 172.7877 3 K 4.1941 8.5159 123.1460 54.7429 32.8996 174.6305 4 I 4.2244 8.4734 126.4781 60.4886 39.4969 175.4344 *5 F 4.5438 8.3638 122.7925 55.0565 39.2218 174.2130 6 N 4.0713 8.6773 122.9997 52.9434 40.0178 174.8053 7 E 3.9251 8.8742 127.8841 59.4250 29.7907 178.5137 8 E 4.0101 8.9203 119.8626 59.1239 29.6558 178.7236 9 L 3.7127 8.0314 118.4530 57.6133 41.8329 179.0736 10 A 3.8948 8.0049 120.7145 55.1695 18.2742 179.8965 11 V 3.5678 7.6240 116.2289 65.8531 31.6529 178.4177 12 I 3.0155 7.4795 119.7614 64.1076 36.7928 177.9524 13 E 3.6994 8.0544 119.9409 59.1528 29.3227 178.6460 14 A 3.8649 7.8145 120.2178 54.9886 18.5242 179.4318 15 A 3.8364 7.8705 119.0240 55.1895 18.5858 179.7503 16 A 3.2081 7.4102 118.6812 55.1507 18.2594 180.0088 17 I 3.2573 7.6843 118.1771 64.0664 37.1674 178.3310 18 A 3.9036 8.0920 122.0539 55.2986 18.0344 179.0397 19 Y 3.8754 7.5178 116.7648 60.9236 38.9798 178.1193 20 L 3.8388 7.8198 119.7267 58.0320 41.7104 179.8141 21 T 3.9280 8.0420 109.5954 64.6993 68.7183 176.6813 22 A 3.8690 7.7554 123.3453 54.6180 18.3571 179.3381 23 F 3.7375 8.4421 119.6787 61.3970 39.2360 176.7921 24 N 4.4853 8.0785 114.7334 55.7739 38.9132 176.1730 25 R 4.0437 7.8440 117.1762 55.5281 30.6614 175.7564 26 A 2.5800 7.1635 120.7468 52.4790 16.6195 178.2019 27 D 4.4749 7.6107 120.9507 54.1251 41.3424 175.6092 28 I 3.7177 7.8448 128.3548 63.7578 37.4363 176.2951 29 P 4.2638 0.0000 0.0000 65.5306 30.9554 178.4832 30 A 3.9883 8.0394 118.6535 54.9435 18.6237 179.5541 31 V 3.6658 7.9684 116.9649 66.3727 31.6602 178.2380 32 I 3.8953 8.1901 119.6688 64.5506 36.7549 178.2366 33 A 4.1996 8.0139 120.3833 54.6664 18.4006 179.1906 34 T 4.0222 7.9395 107.9568 63.1046 69.0915 174.1999 35 Y 4.8783 7.2619 119.5647 56.6705 39.1139 175.4758 36 T 4.2229 8.5143 112.9814 61.4289 69.7177 175.3418 37 D 4.3971 8.7778 122.1941 57.0900 40.9716 177.6786 38 D 4.8924 8.0046 116.5628 52.9289 40.0188 176.5695 39 G 4.5155 8.0208 107.4239 46.3693 0.0000 173.2005 40 V 5.0243 8.5482 121.2230 60.8840 35.0147 174.4081 41 L 5.5976 7.9341 129.2056 52.4277 45.8008 174.9271 *43 G 3.9833 8.3140 107.4758 44.3673 0.0000 170.2390 44 P 4.4391 0.0000 0.0000 63.2893 31.8451 177.6580 45 G 4.0336 9.1145 109.6320 45.6208 0.0000 173.5235 46 R 4.6260 7.2988 116.4413 53.4774 33.8648 173.4009 47 P 4.5030 0.0000 0.0000 61.5573 32.5404 175.5710 48 A 4.3311 8.3716 120.0939 52.5923 19.1240 176.6761 49 A 4.6999 8.7491 123.0850 50.2242 21.3022 176.0026 50 V 4.4995 9.2063 123.5955 63.6116 33.3797 176.3850 51 G 4.1767 9.3012 114.2911 45.2534 0.0000 173.8872 52 K 3.9604 8.4959 118.6066 59.1362 32.0791 179.6108 53 D 4.3380 8.0199 118.8493 57.5844 41.0414 178.4822 54 E 4.0104 8.1256 118.4806 59.1705 29.4613 179.3456 55 L 3.8817 8.1338 118.9580 57.7122 41.7495 179.0862 56 A 4.2174 8.3661 123.3374 56.1634 18.4247 180.1361 57 E 3.9903 8.1136 116.2465 61.2472 29.6946 181.3966 58 V 3.7319 7.7043 118.9136 66.1782 31.6629 177.9098 59 Y 3.9882 8.0535 116.4962 60.6440 37.6568 178.1675 60 L 4.1202 8.2499 121.5457 58.3899 42.2095 179.0522 61 S 4.1498 8.0245 112.7103 61.1487 62.1942 176.3027 62 V 3.5516 7.9351 121.1329 66.1842 31.1525 178.1018 63 F 4.7720 7.8676 115.4204 60.0637 38.8197 177.4277 64 E 4.1909 8.2180 118.2168 59.5361 29.5035 178.8497 65 T 4.1872 7.8724 115.3128 64.7203 68.9442 174.9033 66 V 4.7347 7.7214 118.7340 60.9263 35.0723 174.9370 67 G 4.1876 9.1090 114.5897 44.6319 0.0000 172.1371 68 F 5.4685 9.0086 123.7994 55.8077 41.4384 174.6136 69 D 4.9244 9.2063 122.5449 52.3549 44.0223 174.3751 *71 A 4.5236 8.5276 126.7503 52.0252 20.2696 174.7326 72 Y 5.3565 8.2357 118.3210 55.5832 41.0469 174.8417 73 E 4.8045 9.4427 119.5396 54.8112 33.9203 174.7455 74 I 4.4482 8.6745 125.0490 60.9645 37.5840 175.5579 75 K 4.5932 9.4379 127.0262 57.7931 33.8455 176.6872 76 E 4.7577 7.8004 115.1519 55.1402 32.8708 174.6817 77 V 4.5102 8.2351 120.9604 61.2022 34.2066 174.6766 78 V 4.1156 8.1916 128.1774 60.8981 34.5476 173.6890 79 Q 4.7243 8.5586 129.3003 55.0312 29.4304 175.0774 80 T 4.4110 8.7323 116.8514 62.6576 69.9308 174.0507 81 S 4.5829 7.8418 114.8425 57.2209 65.5696 174.7767 82 A 4.0952 8.9462 122.7862 55.1693 18.0022 178.1633 83 D 4.5221 8.2812 111.9989 53.6064 42.1735 175.3203 84 W 5.9528 8.2932 118.8439 55.3788 33.6736 174.0588 85 A 5.1087 9.2970 123.4020 51.2827 22.8149 174.9118 86 F 5.5831 8.9974 113.6969 55.4332 42.0411 173.9615 87 V 4.9542 9.0274 118.8554 61.2529 35.3093 173.9060 88 R 5.4118 9.1975 127.3462 54.6928 33.0012 174.4593 89 S 5.3784 9.2920 119.4510 56.6832 67.5093 172.3315 90 A 5.3650 9.1626 120.5072 50.5182 22.5728 175.2848 91 T 5.4313 9.1875 111.3738 60.0481 72.0998 172.7978 92 E 5.2467 9.5584 121.2603 53.9702 32.9761 176.7434 93 G 4.2226 7.8095 109.0250 46.7872 0.0000 172.1178 94 T 5.1795 8.4967 115.0249 59.7146 72.7173 172.9146 95 E 4.8759 9.4139 122.8736 54.7893 32.9880 174.1873 96 T 5.0030 8.9575 124.0730 61.5934 71.1885 173.2595 97 N 4.6793 8.7165 126.3164 53.5781 39.3896 175.9136 98 K 4.0307 8.9284 126.2203 59.2780 32.4996 178.6349 99 A 4.0889 8.3525 122.6656 55.3038 18.6680 178.7041 100 T 3.9889 9.1276 106.1249 62.5162 69.3062 176.3150 101 G 3.8898 8.4072 110.0313 44.7906 0.0000 173.4436 102 V 3.7069 7.4115 121.3778 62.9213 32.4855 174.7986 103 V 4.7890 8.4049 128.6758 61.9220 32.6034 174.9429 104 T 4.9269 9.0675 118.0849 58.8059 72.2890 171.7046 105 P 4.9572 0.0000 0.0000 63.3705 32.3943 175.3946 106 A 5.0564 9.4499 122.5558 50.7780 23.1246 175.0633 107 A 5.2517 8.8917 122.8899 50.6726 22.9037 174.7811 108 Y 5.3266 9.4353 118.8355 56.2654 43.2012 174.3017 109 Q 5.0450 8.9423 117.7834 54.7652 32.4920 173.9415 110 E 4.9586 9.2329 120.1062 54.4366 34.3113 174.1944 111 L 5.2370 8.4775 125.0862 53.3656 45.1266 174.8272 112 F 5.2726 9.7033 125.5934 55.7630 41.7270 174.3449 113 L 5.1998 9.2888 126.5016 53.7410 43.7557 174.8823 114 L 5.4083 9.3813 127.1100 53.1435 44.6415 175.6344 115 R 4.3157 8.9636 122.5052 54.0283 33.4338 174.0802 116 K 3.7456 7.6593 128.4017 54.7419 32.4451 176.7905 117 S 4.0931 9.1041 123.7617 57.8510 63.4538 175.2944 118 A 3.8561 8.3688 123.7352 54.9161 18.1414 178.5333 119 T 4.2382 7.8407 104.0861 61.5349 69.0101 175.4136 120 G 3.7444 8.2074 109.5712 45.5396 0.0000 173.3432 121 S 4.7251 7.7525 115.8924 56.3530 65.1020 173.4316 122 W 4.8861 8.6778 124.2425 56.4013 29.8484 175.7556 123 Q 4.7874 9.1157 122.8211 54.1893 33.2493 174.6456 124 T 4.5878 8.7135 118.9933 63.7857 69.0574 175.3167 125 A 4.3826 9.5401 129.5667 53.4200 20.1959 177.1897 126 R 5.2259 8.1196 113.1968 54.7325 34.1929 173.9618 127 Y 5.1632 9.1907 123.3108 56.1647 42.5797 173.1434 128 C 4.7163 8.2655 126.2612 57.5723 35.0038 172.3218 129 T 4.7877 7.9895 119.1733 60.1910 70.5071 172.0934 130 S 4.8828 8.8437 122.6059 56.2307 65.9051 172.3812 131 K 3.9712 8.4507 127.2902 55.8334 32.1328 176.4047 132 I 4.1338 8.4301 129.5066 63.9802 38.0720 176.5607 133 S 4.5359 7.2931 112.6345 56.6700 65.8014 174.3430 134 P 4.3867 0.0000 0.0000 62.9941 31.1072 176.3703 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 2 S 8.33 4.38 0.00 3.99 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 3 K 8.52 4.19 0.00 1.81 1.78 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.58 7.81 4 I 8.47 4.22 1.86 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 1.27 0.51 0.90 0.00 0.00 *5 F 8.36 4.54 0.00 2.29 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 0.00 0.00 0.00 0.00 6 N 8.68 4.07 0.00 2.72 2.71 0.00 0.00 6.82 7.65 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 7 E 8.87 3.93 0.00 2.04 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 2.37 2.32 0.00 8 E 8.92 4.01 0.00 2.12 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 2.64 2.53 0.00 9 L 8.03 3.71 0.00 1.78 1.56 0.84 0.57 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 10 A 8.00 3.89 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 11 V 7.62 3.57 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 1.20 0.00 0.00 1.05 0.00 0.00 12 I 7.48 3.02 1.50 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.37 0.00 0.00 13 E 8.05 3.70 0.00 1.88 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 2.22 2.22 0.00 14 A 7.81 3.86 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 15 A 7.87 3.84 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 16 A 7.41 3.21 0.36 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 17 I 7.68 3.26 1.83 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 1.00 0.47 0.77 0.00 0.00 18 A 8.09 3.90 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 19 Y 7.52 3.88 0.00 3.12 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 20 L 7.82 3.84 0.00 1.32 1.53 0.65 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.04 3.93 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 1.27 0.00 0.00 22 A 7.76 3.87 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 23 F 8.44 3.74 0.00 2.32 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 24 N 8.08 4.49 0.00 3.02 2.89 0.00 0.00 7.31 7.34 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 25 R 7.84 4.04 0.00 1.84 1.83 0.00 3.31 0.00 0.00 3.19 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 26 A 7.16 2.58 0.50 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 27 D 7.61 4.47 0.00 2.55 2.55 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 0.00 28 I 7.84 3.72 1.91 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.45 1.04 0.00 0.00 29 P 0.00 4.26 0.00 2.14 2.10 0.00 3.77 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 2.10 2.16 0.00 30 A 8.04 3.99 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 31 V 7.97 3.67 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 0.61 0.00 0.00 0.78 0.00 0.00 32 I 8.19 3.90 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.00 0.98 0.00 0.00 33 A 8.01 4.20 1.40 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 0.00 0.00 34 T 7.94 4.02 4.20 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 0.00 0.00 1.35 0.00 0.00 35 Y 7.26 4.88 0.00 3.22 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 36 T 8.51 4.22 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 1.27 0.00 0.00 37 D 8.78 4.40 0.00 2.75 2.79 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 38 D 8.00 4.89 0.00 2.82 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 39 G 8.02 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.55 5.02 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 1.10 0.00 0.00 1.02 0.00 0.00 41 L 7.93 5.60 0.00 1.82 1.43 1.14 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 8.31 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 44 P 0.00 4.44 0.00 2.12 2.01 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 45 G 9.11 4.03 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 0.00 0.00 0.00 46 R 7.30 4.63 0.00 1.78 1.74 0.00 3.09 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 47 P 0.00 4.50 0.00 2.16 2.05 0.00 3.76 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 1.94 0.00 48 A 8.37 4.33 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 49 A 8.75 4.70 1.19 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 0.00 0.00 50 V 9.21 4.50 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 0.80 0.00 0.00 0.93 0.00 0.00 51 G 9.30 4.18 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 0.00 0.00 0.00 52 K 8.50 3.96 0.00 1.83 1.90 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.29 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.56 7.81 53 D 8.02 4.34 0.00 2.69 2.72 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 54 E 8.13 4.01 0.00 2.22 1.97 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 2.39 2.39 0.00 55 L 8.13 3.88 0.00 1.82 1.74 0.24 0.14 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 56 A 8.37 4.22 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 57 E 8.11 3.99 0.00 2.03 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 2.24 2.19 0.00 58 V 7.70 3.73 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 0.75 0.00 0.00 0.85 0.00 0.00 59 Y 8.05 3.99 0.00 3.18 3.11 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 60 L 8.25 4.12 0.00 2.12 1.90 1.01 0.73 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 61 S 8.02 4.15 0.00 3.98 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 62 V 7.94 3.55 1.85 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 1.12 0.00 0.00 0.87 0.00 0.00 63 F 7.87 4.77 0.00 3.16 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 64 E 8.22 4.19 0.00 2.23 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 2.39 2.52 0.00 65 T 7.87 4.19 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 1.22 0.00 0.00 66 V 7.72 4.73 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 -0.20 0.00 0.00 0.85 0.00 0.00 67 G 9.11 4.19 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 0.00 0.00 0.00 68 F 9.01 5.47 0.00 3.07 3.16 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 69 D 9.21 4.92 0.00 2.81 2.55 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 0.00 *71 A 8.53 4.52 1.25 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 72 Y 8.24 5.36 0.00 3.03 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 73 E 9.44 4.80 0.00 1.93 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 2.22 2.28 0.00 74 I 8.67 4.45 1.94 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 1.57 0.98 0.91 0.00 0.00 75 K 9.44 4.59 0.00 1.81 1.90 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 76 E 7.80 4.76 0.00 2.00 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 0.00 2.38 2.45 0.00 77 V 8.24 4.51 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 0.56 0.00 0.00 0.82 0.00 0.00 78 V 8.19 4.12 0.67 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 0.70 0.00 0.00 0.65 0.00 0.00 79 Q 8.56 4.72 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 80 T 8.73 4.41 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 1.45 0.00 0.00 81 S 7.84 4.58 0.00 4.12 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 82 A 8.95 4.10 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 D 8.28 4.52 0.00 2.64 2.21 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 84 W 8.29 5.95 0.00 3.41 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 85 A 9.30 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 9.00 5.58 0.00 3.25 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 87 V 9.03 4.95 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 0.94 0.00 0.00 0.71 0.00 0.00 88 R 9.20 5.41 0.00 2.07 1.85 0.00 3.12 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 89 S 9.29 5.38 0.00 4.19 4.12 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 0.00 0.00 0.00 90 A 9.16 5.37 1.29 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 0.00 0.00 91 T 9.19 5.43 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 1.43 0.00 0.00 92 E 9.56 5.25 0.00 2.00 1.99 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 2.26 2.33 0.00 93 G 7.81 4.22 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 0.00 94 T 8.50 5.18 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 95 E 9.41 4.88 0.00 2.05 1.79 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 1.96 1.66 0.00 96 T 8.96 5.00 4.20 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 0.00 0.00 1.24 0.00 0.00 97 N 8.72 4.68 0.00 2.77 2.68 0.00 0.00 6.81 6.92 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 98 K 8.93 4.03 0.00 1.84 1.85 0.00 1.97 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.39 7.81 99 A 8.35 4.09 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 0.00 100 T 9.13 3.99 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 1.25 0.00 0.00 101 G 8.41 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 0.00 0.00 0.00 102 V 7.41 3.71 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 0.00 103 V 8.40 4.79 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 0.88 0.00 0.00 0.93 0.00 0.00 104 T 9.07 4.93 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 1.22 0.00 0.00 105 P 0.00 4.96 0.00 2.13 2.13 0.00 3.77 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 2.00 1.99 0.00 106 A 9.45 5.06 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 0.00 0.00 0.00 0.00 0.00 107 A 8.89 5.25 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 0.00 108 Y 9.44 5.33 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 0.00 109 Q 8.94 5.05 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 110 E 9.23 4.96 0.00 2.04 1.55 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 2.31 2.16 0.00 111 L 8.48 5.24 0.00 1.63 1.34 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.70 5.27 0.00 3.01 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 0.00 113 L 9.29 5.20 0.00 1.89 1.90 1.27 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 114 L 9.38 5.41 0.00 1.74 1.84 0.84 0.52 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 0.00 115 R 8.96 4.32 0.00 0.67 1.28 0.00 2.79 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 116 K 7.66 3.75 0.00 0.79 1.03 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.71 0.21 7.81 117 S 9.10 4.09 0.00 3.83 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 0.00 118 A 8.37 3.86 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 0.00 119 T 7.84 4.24 4.19 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 1.17 0.00 0.00 120 G 8.21 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 0.00 121 S 7.75 4.73 0.00 3.71 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 0.00 122 W 8.68 4.89 0.00 3.11 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 0.00 123 Q 9.12 4.79 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 124 T 8.71 4.59 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 1.16 0.00 0.00 125 A 9.54 4.38 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 0.00 126 R 8.12 5.23 0.00 1.82 1.86 0.00 3.32 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 127 Y 9.19 5.16 0.00 2.77 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 0.00 128 C 8.27 4.72 0.00 2.84 2.47 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 0.00 129 T 7.99 4.79 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 1.14 0.00 0.00 130 S 8.84 4.88 0.00 3.85 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 0.00 131 K 8.45 3.97 0.00 1.58 1.51 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.96 0.21 7.81 132 I 8.43 4.13 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 1.26 0.62 0.89 0.00 0.00 133 S 7.29 4.54 0.00 3.81 3.87 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 0.00 0.00 0.00 0.00 134 P 0.00 4.39 0.00 2.05 2.00 0.00 3.68 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 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.