NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.1815 8.2601 123.5754 51.5353 20.6900 177.0147 6 A 4.0910 7.0796 114.5796 51.3979 21.2818 173.6575 7 K 4.6908 9.2001 120.7618 54.2618 35.4178 175.1273 8 L 4.2859 8.2550 121.6582 55.7793 42.2458 176.8662 9 N 4.2760 8.8785 116.8323 54.2893 37.1600 173.7253 10 H 5.1869 7.6001 114.6069 52.7422 32.4075 171.2175 11 P 4.6369 0.0000 0.0000 63.1389 31.0206 175.8115 12 A 4.1532 8.5671 126.5487 51.1808 19.2696 175.4518 13 P 4.0915 0.0000 0.0000 62.5794 31.8169 176.1891 14 E 4.1861 8.7283 125.0097 56.0494 30.3815 175.6656 15 F 5.1157 8.0696 120.9575 55.3385 41.4662 174.0220 16 D 5.0362 8.7810 121.3923 54.6397 42.8732 173.0766 17 D 4.5583 9.5462 133.6284 54.1200 47.3800 177.3793 *19 A 4.3552 9.1423 116.4244 51.5880 20.4354 177.4819 20 L 4.8087 8.5290 122.8921 54.1344 43.4153 174.9465 *22 P 4.4584 0.0000 0.0000 62.4411 32.3464 177.8105 23 N 4.1642 7.7305 114.0487 53.7463 37.3703 174.6750 24 G 4.3853 7.1956 114.3181 44.7221 0.0000 172.8107 25 T 3.9967 7.7846 116.7720 63.0835 69.2928 173.9187 26 F 5.3872 8.4667 121.1308 56.1097 40.4522 174.9344 27 K 4.6807 8.7401 124.9634 54.1350 35.0755 175.5223 28 K 4.4409 8.7435 128.0098 55.9752 32.7641 175.7943 29 V 4.6009 8.8310 128.7572 61.4524 33.8620 174.6905 30 S 5.2916 8.2876 119.5319 55.8470 65.8012 174.9767 31 L 3.6041 7.7401 123.6465 57.9278 41.5884 179.5957 32 S 4.1451 7.9037 114.2232 60.9716 62.6979 176.4692 33 S 4.0605 7.7230 118.6510 61.6983 62.7725 175.3363 34 Y 4.6002 7.8568 117.0387 57.1070 37.6074 174.3815 35 K 4.0416 7.9074 122.3319 60.0191 31.8446 174.8411 36 G 3.6990 6.9507 121.9573 45.1146 0.0000 171.8028 37 K 4.8710 8.0964 119.7633 54.3660 36.2912 175.4315 38 Y 4.3930 8.8546 119.1484 57.9932 39.3622 175.1567 39 V 4.8404 9.0144 121.8469 61.0929 35.5995 174.5012 40 V 4.6825 8.5638 126.6386 61.2257 33.8466 173.6528 41 L 5.0284 8.7595 131.2278 53.3616 43.8671 175.1470 42 F 5.5219 8.2375 119.7269 55.3845 41.2087 173.4981 43 F 5.1068 10.0605 119.6635 55.3560 42.1783 174.0637 44 Y 4.9138 7.7728 117.4596 55.2039 40.4250 172.9976 45 P 4.2456 0.0000 0.0000 65.9709 31.0853 177.1753 *47 D 3.6207 7.5155 116.4146 53.8816 43.0953 175.8679 48 F 3.9374 6.9690 120.2520 56.1254 38.1265 177.6729 49 T 4.3601 7.1007 118.2680 61.6132 68.0390 171.2027 50 F 4.4862 8.9718 115.3369 57.2412 41.3015 175.6449 51 V 4.3458 8.7244 116.8082 61.8274 33.0725 176.0705 52 C 4.8774 8.0443 120.2907 58.2728 31.4268 172.6962 53 P 4.7642 0.0000 0.0000 64.6119 31.9835 175.9931 54 T 3.7420 8.0706 114.8679 67.2051 67.8190 174.8226 55 E 3.9651 8.2493 119.7805 59.9435 29.6453 179.1721 56 I 4.0444 7.9729 118.7588 64.7287 37.1422 178.1837 57 I 3.6875 8.1308 120.4868 64.6936 36.9095 178.3262 58 Q 3.8793 8.3214 119.1455 59.2323 28.3113 180.0026 59 F 3.8897 7.6098 116.6047 60.6426 39.0638 177.0326 60 S 4.3337 7.6426 111.3925 61.8610 62.3518 175.9248 61 D 4.4975 8.5278 121.5541 57.4931 40.7745 178.1077 62 D 4.4819 8.3684 116.7413 55.2013 40.5393 178.0136 63 A 4.2419 7.9206 123.6914 55.2838 18.3560 179.8097 64 K 3.8712 8.0483 117.2953 59.8515 32.2020 178.5973 65 R 3.8614 8.0013 117.0049 59.5252 30.0862 178.0851 66 F 4.2285 8.6968 117.4727 60.6693 38.9169 177.2812 67 A 4.3678 8.5290 122.1198 54.7161 17.8217 179.2011 68 E 3.9603 8.2148 116.8058 58.2879 29.6135 177.1106 69 I 4.3434 8.4065 119.7882 60.8668 38.6405 175.0839 70 N 4.9016 8.1957 113.8107 54.1432 37.8823 172.3135 71 T 5.3591 7.5878 105.5251 59.4187 71.6607 172.3399 72 E 4.8666 9.3241 126.0232 54.6814 32.3888 174.8364 73 V 4.8720 8.1822 116.9399 59.8741 35.6500 174.8149 74 I 4.6856 8.5190 121.8496 60.1523 41.7996 174.6577 75 S 3.7373 7.8971 123.8732 56.8164 65.4454 172.5029 76 C 4.8045 7.4588 115.3689 59.6208 35.1329 172.7653 77 S 4.4225 7.4400 117.6999 57.3969 65.7737 174.1157 78 C 4.7460 8.3578 115.7193 60.3535 28.0128 173.6000 79 D 4.9201 7.3842 119.0871 52.2130 42.6085 176.8252 80 S 4.2655 8.2770 116.1400 57.7995 64.0794 174.8562 81 E 3.7807 8.9301 121.6843 60.4408 28.7705 179.3538 82 Y 4.2999 8.3498 116.8001 60.8879 38.1693 178.0196 83 S 4.4914 8.6158 114.5153 61.5560 62.2470 175.9536 84 H 4.5827 8.2437 119.1847 58.6635 28.9392 176.5938 85 L 4.0596 8.2142 121.7865 58.6843 41.7053 178.5187 86 Q 4.1734 8.6589 118.8894 59.5824 28.6732 179.2283 87 W 4.6986 8.5193 128.4900 60.4596 30.2291 177.7933 88 T 3.9096 8.6383 113.5330 64.2535 66.5370 176.5402 89 S 4.2182 7.5771 115.5376 60.1865 63.8604 175.2897 90 V 3.7316 7.4460 122.2705 62.2898 32.1769 174.5732 91 D 4.6503 8.6943 127.0769 54.0823 41.2364 177.0992 92 R 3.9289 8.7084 124.1892 58.7737 30.1931 177.1947 93 K 3.9911 8.0875 117.6112 58.5536 33.1396 177.0419 94 K 4.3382 8.5890 121.7435 55.6317 31.3452 176.9669 95 G 3.8975 8.0495 103.6972 46.2757 0.0000 174.0887 96 G 4.0100 7.3058 109.3077 44.4251 0.0000 173.5460 97 L 3.8163 7.2826 118.5548 54.2083 43.9167 177.3967 98 G 3.8953 7.2139 108.1649 43.5184 0.0000 170.8394 99 P 3.8822 0.0000 0.0000 61.5438 32.1689 176.2583 *101 A 4.3054 8.2573 119.6146 51.7418 20.0088 176.3022 102 I 4.6672 7.4417 116.5827 58.8032 40.4124 175.8188 103 P 4.7058 0.0000 0.0000 62.2853 31.8486 174.9938 *105 L 4.2763 8.2905 120.1974 55.7140 43.5599 176.4275 106 A 4.6207 8.4012 123.0401 50.6013 21.2275 175.2557 107 D 4.6907 8.3491 122.8883 52.2511 38.8192 177.5754 108 K 4.0045 8.4099 126.4576 59.7936 32.8605 178.5417 109 T 3.9077 7.8137 113.2923 62.8372 67.7046 175.9265 110 K 4.0743 8.3003 118.6616 56.6441 30.9309 177.5451 111 A 4.0297 7.5333 121.4740 55.3024 18.1336 180.0942 112 I 3.7738 7.8894 117.3664 64.5207 37.3401 177.9699 113 A 3.8756 8.2152 121.6134 55.4648 18.1476 179.8732 114 R 3.7972 8.0025 115.9166 59.4945 29.9775 178.9610 115 A 4.0257 7.7235 119.0095 55.0610 18.3662 178.3052 116 Y 3.8771 7.8772 111.9452 56.3880 38.7991 175.6992 117 G 3.9353 8.2384 108.4440 47.1766 0.0000 174.5136 118 V 4.1961 7.7844 117.0847 61.9955 33.3542 174.7532 119 L 4.5248 7.7297 121.1178 55.3629 42.6583 176.0136 120 D 4.8676 8.6345 125.8832 52.1827 40.2022 176.0747 121 E 3.9609 8.8066 125.4270 59.4825 29.9407 178.9292 122 D 4.5142 8.2826 117.3802 57.0888 41.1178 177.4701 123 S 4.2833 8.0193 111.8801 58.9704 63.7810 175.3051 124 G 3.9896 8.8669 107.8144 44.6516 0.0000 172.6363 125 V 4.5864 7.6096 111.6080 59.1095 35.8975 174.6505 126 A 5.0332 8.3616 123.1436 51.4425 20.4445 176.6278 127 Y 4.2496 8.4682 117.8234 56.8612 40.0884 177.6262 128 R 4.6887 8.1341 120.2936 55.8145 28.3809 176.0717 129 G 4.4835 8.4716 109.9050 44.6149 0.0000 169.9173 130 V 5.2126 8.5413 121.4147 61.2911 35.3207 173.8750 131 F 5.6282 9.7786 125.7507 54.6590 43.6081 173.8215 132 I 5.0942 8.6224 121.9676 59.8644 39.9244 174.3241 133 I 5.0369 8.8164 128.9020 59.6796 39.5497 175.6753 134 D 4.3721 9.0369 126.8061 51.4947 40.6219 175.5917 135 P 4.5005 0.0000 0.0000 64.5935 31.2733 177.7758 136 N 4.5662 8.1610 113.0405 53.1206 39.0551 175.5945 137 G 3.8815 8.7404 107.8009 45.5624 0.0000 172.9729 138 K 4.8393 8.3412 119.0189 53.9445 34.1059 175.4831 139 L 4.5602 8.2710 124.9726 55.1811 42.9979 177.0879 140 R 4.9919 8.9852 123.1199 55.4079 32.9250 174.7359 141 Q 4.6299 7.8454 117.9968 55.3687 32.4570 172.6829 142 I 4.6966 8.4659 126.3313 59.6269 40.9134 175.0967 143 I 4.4435 7.5811 126.1346 60.1912 41.9353 174.0091 144 I 4.9395 8.2246 127.0250 59.7752 39.9980 174.5307 145 N 4.8542 9.4543 125.6292 51.4912 40.5425 176.7202 146 D 4.9503 8.8211 122.4335 54.3320 40.5011 176.6696 *148 P 4.3221 0.0000 0.0000 61.6132 33.0173 175.6945 149 I 4.2654 7.4077 120.1575 59.1735 37.2924 175.9595 150 G 3.8667 8.5618 114.5473 45.6839 0.0000 171.8880 151 R 4.4933 8.7095 119.1748 54.5208 32.2396 176.4712 152 N 4.6698 8.1941 118.2063 51.6567 38.9607 174.9363 153 V 3.3004 8.0719 125.8974 65.9504 31.3281 177.1548 154 E 3.7950 8.1273 117.6304 59.2807 29.2341 178.7112 155 E 3.8619 8.0888 119.1732 59.3894 29.7135 178.7800 156 V 3.6809 7.9317 117.6604 66.3088 31.4194 177.8416 157 I 3.7349 7.6938 119.0826 64.3779 36.8808 177.9662 158 R 3.8299 8.1596 119.9838 59.7679 29.7864 178.1424 159 L 3.9744 8.2897 118.6726 57.8134 41.5561 179.8080 160 V 3.5032 7.9020 117.9425 66.0064 31.4754 177.6712 161 E 3.8670 8.6900 118.3486 59.4996 29.2259 178.9994 162 A 4.0193 8.6655 121.4726 55.4192 18.4828 179.6643 163 L 4.0620 8.2936 117.4251 58.2594 41.7540 179.7721 164 Q 4.1238 8.2706 118.1489 58.8038 28.5688 178.5397 165 F 3.9566 8.6281 122.1316 61.4687 39.1684 177.2780 166 V 3.8050 7.5976 116.1480 66.3042 31.4519 177.2637 167 E 4.1346 7.9859 117.0070 59.7103 29.4669 177.9944 168 E 3.9560 8.2333 118.2723 59.5733 29.5563 177.8136 169 H 4.1922 8.2914 118.2076 53.1886 29.2960 176.1271 170 G 4.1068 8.6032 115.8564 46.1906 0.0000 173.2287 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 5 A 8.26 4.18 1.33 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 6 A 7.08 4.09 1.01 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 0.00 0.00 7 K 9.20 4.69 0.00 1.85 1.83 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 8 L 8.26 4.29 0.00 1.77 1.60 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.88 4.28 0.00 2.76 2.83 0.00 0.00 6.74 8.88 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 10 H 7.60 5.19 0.00 3.24 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.64 0.00 2.05 2.12 0.00 3.83 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 1.99 2.02 0.00 12 A 8.57 4.15 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 13 P 0.00 4.09 0.00 1.65 1.77 0.00 3.08 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.65 0.00 14 E 8.73 4.19 0.00 1.91 1.83 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 2.24 2.30 0.00 15 F 8.07 5.12 0.00 3.11 3.21 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 16 D 8.78 5.04 0.00 2.68 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 17 D 9.55 4.56 0.00 2.80 1.88 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 *19 A 9.14 4.36 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 20 L 8.53 4.81 0.00 1.87 1.76 1.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *22 P 0.00 4.46 0.00 2.13 2.15 0.00 3.78 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 1.96 2.13 0.00 23 N 7.73 4.16 0.00 2.80 2.84 0.00 0.00 5.84 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 24 G 7.20 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 T 7.78 4.00 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 1.21 0.00 0.00 26 F 8.47 5.39 0.00 2.87 2.82 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 27 K 8.74 4.68 0.00 1.81 1.70 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 28 K 8.74 4.44 0.00 1.84 1.75 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.60 1.37 7.81 29 V 8.83 4.60 2.27 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 1.28 0.00 0.00 1.09 0.00 0.00 30 S 8.29 5.29 0.00 4.04 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 31 L 7.74 3.60 0.00 0.27 1.26 0.90 0.92 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 32 S 7.90 4.15 0.00 4.00 4.14 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 33 S 7.72 4.06 0.00 3.71 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 34 Y 7.86 4.60 0.00 3.14 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 7.91 4.04 0.00 1.83 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 36 G 6.95 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.10 4.87 0.00 1.85 2.06 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 Y 8.85 4.39 0.00 3.05 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 39 V 9.01 4.84 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 0.66 0.00 0.00 0.82 0.00 0.00 40 V 8.56 4.68 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 0.84 0.00 0.00 0.76 0.00 0.00 41 L 8.76 5.03 0.00 1.63 1.46 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.24 5.52 0.00 2.97 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 43 F 10.06 5.11 0.00 3.13 2.89 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 44 Y 7.77 4.91 0.00 2.95 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 45 P 0.00 4.25 0.00 2.08 2.12 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 *47 D 7.52 3.62 0.00 2.47 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 48 F 6.97 3.94 0.00 2.88 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 49 T 7.10 4.36 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 1.49 0.00 0.00 50 F 8.97 4.49 0.00 2.96 2.91 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 51 V 8.72 4.35 2.17 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 0.78 0.00 0.00 1.08 0.00 0.00 52 C 8.04 4.88 0.00 3.00 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 53 P 0.00 4.76 0.00 2.17 2.49 0.00 4.02 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 54 T 8.07 3.74 4.29 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 1.22 0.00 0.00 55 E 8.25 3.97 0.00 2.14 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 2.70 2.65 0.00 56 I 7.97 4.04 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.82 0.00 0.00 57 I 8.13 3.69 2.03 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.88 0.00 0.00 58 Q 8.32 3.88 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 59 F 7.61 3.89 0.00 3.05 2.91 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 60 S 7.64 4.33 0.00 3.86 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 61 D 8.53 4.50 0.00 2.82 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 62 D 8.37 4.48 0.00 2.72 2.48 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 63 A 7.92 4.24 1.51 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 0.00 0.00 64 K 8.05 3.87 0.00 1.90 1.82 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.58 7.81 65 R 8.00 3.86 0.00 1.74 1.96 0.00 3.17 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.60 0.00 66 F 8.70 4.23 0.00 3.40 3.26 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 67 A 8.53 4.37 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 68 E 8.21 3.96 0.00 2.25 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 2.33 2.33 0.00 69 I 8.41 4.34 1.86 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 1.14 1.19 1.05 0.00 0.00 70 N 8.20 4.90 0.00 2.99 2.96 0.00 0.00 6.78 7.55 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 71 T 7.59 5.36 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 1.35 0.00 0.00 72 E 9.32 4.87 0.00 2.33 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 0.00 2.85 2.51 0.00 73 V 8.18 4.87 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 0.36 0.00 0.00 1.01 0.00 0.00 74 I 8.52 4.69 1.86 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 0.99 1.33 0.68 0.00 0.00 75 S 7.90 3.74 0.00 3.05 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 76 C 7.46 4.80 0.00 2.19 1.51 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 77 S 7.44 4.42 0.00 3.27 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.75 0.00 2.92 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 79 D 7.38 4.92 0.00 2.72 2.59 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 80 S 8.28 4.27 0.00 4.01 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 81 E 8.93 3.78 0.00 1.16 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 2.29 2.60 0.00 82 Y 8.35 4.30 0.00 3.08 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 83 S 8.62 4.49 0.00 4.05 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 84 H 8.24 4.58 0.00 3.52 3.50 0.00 6.03 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 85 L 8.21 4.06 0.00 1.96 2.02 0.82 0.58 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 86 Q 8.66 4.17 0.00 2.43 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.86 0.00 87 W 8.52 4.70 0.00 2.96 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 88 T 8.64 3.91 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 1.32 0.00 0.00 89 S 7.58 4.22 0.00 4.23 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 90 V 7.45 3.73 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 1.09 0.00 0.00 1.11 0.00 0.00 91 D 8.69 4.65 0.00 2.82 2.57 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 0.00 92 R 8.71 3.93 0.00 1.67 1.95 0.00 3.01 0.00 0.00 3.74 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 93 K 8.09 3.99 0.00 1.72 1.82 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.70 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103 P 0.00 4.71 0.00 2.27 2.00 0.00 3.83 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 2.29 2.20 0.00 *105 L 8.29 4.28 0.00 1.48 1.37 0.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.40 4.62 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 0.00 107 D 8.35 4.69 0.00 2.67 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 0.00 108 K 8.41 4.00 0.00 1.72 1.88 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.36 7.81 109 T 7.81 3.91 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 1.26 0.00 0.00 110 K 8.30 4.07 0.00 2.06 1.97 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.36 7.81 111 A 7.53 4.03 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 0.00 112 I 7.89 3.77 2.14 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.61 1.03 0.00 0.00 113 A 8.22 3.88 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 0.00 114 R 8.00 3.80 0.00 2.05 1.98 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 115 A 7.72 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.88 3.88 0.00 2.57 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 0.00 0.00 0.00 0.00 117 G 8.24 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 0.00 0.00 0.00 118 V 7.78 4.20 1.47 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 0.79 0.00 0.00 0.90 0.00 0.00 119 L 7.73 4.52 0.00 1.53 1.55 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.63 4.87 0.00 3.12 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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137 G 8.74 3.88 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 0.00 0.00 0.00 138 K 8.34 4.84 0.00 2.01 1.73 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.34 7.81 139 L 8.27 4.56 0.00 1.88 1.76 1.34 1.23 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 0.00 140 R 8.99 4.99 0.00 1.78 1.95 0.00 3.60 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 141 Q 7.85 4.63 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 142 I 8.47 4.70 1.90 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 1.71 0.95 0.93 0.00 0.00 143 I 7.58 4.44 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.45 0.93 0.00 0.00 144 I 8.22 4.94 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.49 0.86 0.00 0.00 145 N 9.45 4.85 0.00 2.88 2.92 0.00 0.00 6.32 7.95 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 0.00 146 D 8.82 4.95 0.00 2.76 1.88 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 *148 P 0.00 4.32 0.00 2.13 2.13 0.00 3.76 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 1.94 2.11 0.00 149 I 7.41 4.27 1.93 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 1.27 0.45 0.95 0.00 0.00 150 G 8.56 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 0.00 0.00 0.00 151 R 8.71 4.49 0.00 2.02 1.97 0.00 3.35 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 152 N 8.19 4.67 0.00 2.75 2.68 0.00 0.00 6.49 7.71 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 0.00 153 V 8.07 3.30 1.75 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 0.52 0.00 0.00 0.07 0.00 0.00 154 E 8.13 3.79 0.00 2.11 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 2.28 2.23 0.00 155 E 8.09 3.86 0.00 2.08 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 2.31 2.38 0.00 156 V 7.93 3.68 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 1.22 0.00 0.00 1.12 0.00 0.00 157 I 7.69 3.73 1.88 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.53 0.65 0.00 0.00 158 R 8.16 3.83 0.00 1.93 2.16 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 159 L 8.29 3.97 0.00 1.98 1.76 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.90 3.50 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 0.86 0.00 0.00 1.16 0.00 0.00 161 E 8.69 3.87 0.00 2.16 2.01 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 2.30 2.48 0.00 162 A 8.67 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 0.00 163 L 8.29 4.06 0.00 1.95 1.92 1.10 0.91 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 0.00 164 Q 8.27 4.12 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 165 F 8.63 3.96 0.00 3.20 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 0.00 166 V 7.60 3.81 2.36 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 0.95 0.00 0.00 1.04 0.00 0.00 167 E 7.99 4.13 0.00 2.13 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 0.00 2.42 2.45 0.00 168 E 8.23 3.96 0.00 2.01 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 2.27 2.33 0.00 169 H 8.29 4.19 0.00 3.16 3.11 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 8.60 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.