NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4467 8.3049 118.1923 54.4034 32.2794 174.7724 2 E 4.0670 8.4332 119.0344 55.4487 30.4339 174.8390 3 T 4.8957 8.5703 112.8586 60.2437 73.3248 171.8834 4 Y 4.7431 9.0333 122.6686 55.0264 42.5515 172.2201 5 P 4.8136 0.0000 0.0000 62.7370 32.2635 175.3519 6 I 4.8772 8.8465 126.3134 59.5222 40.0812 174.8483 7 T 5.3434 8.6924 115.2473 60.1168 71.8146 173.4024 8 V 4.3632 9.0766 124.3322 62.2919 34.3260 175.5044 9 G 4.1615 10.0287 116.1307 46.5942 0.0000 174.0344 10 G 3.9332 8.5499 106.2827 44.8360 0.0000 173.9528 11 V 4.2800 8.1089 121.0355 61.6061 32.7194 174.3508 12 T 5.1676 8.3312 123.3312 62.0373 70.9036 174.0447 13 R 4.3667 8.6674 123.1221 54.8172 34.8753 174.1178 14 H 5.0648 8.7069 120.3999 54.7532 29.4359 174.5573 15 V 4.4467 8.1400 117.0983 58.5847 34.6149 174.3166 16 P 4.9575 0.0000 0.0000 62.3419 32.8022 174.9409 17 L 5.1146 8.3611 121.2612 53.1775 43.6271 176.1451 18 I 4.3959 8.7165 116.9463 58.9940 40.8715 174.3669 19 E 5.3326 8.3809 121.7484 51.9576 28.4296 173.7010 20 P 4.4728 0.0000 0.0000 64.7394 31.9786 177.7470 21 L 4.7463 7.4455 118.1692 51.3804 45.2065 173.8603 22 P 4.2782 0.0000 0.0000 64.9405 31.0121 176.6228 23 G 3.8611 10.1354 112.4777 44.8853 0.0000 172.9107 24 R 4.5008 8.3536 119.1684 54.5602 32.9124 174.6047 25 R 5.0610 8.4588 123.4023 54.4290 32.9546 175.6247 26 I 4.9617 8.3872 114.8414 58.3552 41.4525 172.9207 27 P 4.6467 0.0000 0.0000 62.6338 32.1995 175.8578 28 L 4.3489 8.4199 125.9496 53.5579 42.6571 176.0807 29 V 3.7548 8.1106 127.1192 61.8508 32.1905 174.7852 30 E 4.5424 8.3391 127.0686 54.6373 32.1068 174.7516 31 F 4.7696 8.7539 124.7311 58.7183 40.0850 176.2754 32 L 4.2069 7.9746 120.7839 56.3112 41.7153 177.5114 33 G 3.9947 9.1163 110.1060 46.0264 0.0000 173.6840 34 D 4.8309 7.9080 119.1227 50.2758 41.4023 173.7094 35 P 4.3077 0.0000 0.0000 65.2059 31.7983 177.3244 36 E 3.9790 8.2161 117.4072 59.3954 29.7193 178.5508 37 F 4.5662 8.5271 120.2846 61.6064 39.4015 177.2848 38 T 3.6604 8.3988 115.6117 66.6381 68.1993 176.6769 39 R 3.8053 8.2614 120.4470 59.1976 30.1882 178.3986 40 A 3.9649 7.9713 120.1007 54.9099 18.4250 179.5549 41 A 3.6970 7.7836 119.0937 55.0666 18.4412 179.7216 42 A 3.7504 7.8761 119.4224 55.3687 18.2239 179.7668 43 E 3.8868 8.2596 116.1240 59.3863 29.5285 179.1810 44 A 4.0714 7.5223 119.9630 54.7955 18.6359 179.2005 45 L 4.0614 7.6781 117.2236 56.9609 41.8004 179.0606 46 R 3.8266 7.8605 119.1806 59.3398 29.7259 176.6705 47 P 4.3139 0.0000 0.0000 64.8535 31.3849 177.7469 48 L 4.2735 7.8805 116.8341 54.7337 42.0104 177.0006 49 V 3.8100 7.1674 120.2333 61.2858 32.3503 174.0715 50 P 4.4533 0.0000 0.0000 62.2890 31.9449 177.3011 51 K 3.9722 8.5270 121.3038 59.3080 32.2798 177.4421 52 E 4.2356 8.0821 113.8676 56.2231 29.9714 176.4882 53 A 4.1114 7.6572 123.3469 52.9025 18.8135 177.2550 54 E 4.6886 8.6630 120.7368 56.7701 32.4140 176.1986 55 I 4.6096 7.5077 117.2172 59.9756 41.4967 173.1911 56 L 5.3086 8.5567 127.1959 53.2440 44.7574 175.3030 57 F 5.2831 9.0256 123.0361 57.1457 42.7735 173.5321 58 T 5.4112 9.5722 119.7696 59.8041 71.6486 171.8096 59 T 5.3446 8.3623 112.3589 59.3888 71.3549 173.9033 60 E 4.2739 8.9003 121.9071 57.2802 30.3176 176.3751 61 T 4.4821 8.5143 115.6574 65.4334 70.6015 176.9798 62 S 4.2182 8.3418 115.6361 61.3842 63.0009 173.9239 63 P 4.5037 0.0000 0.0000 64.0063 31.7740 178.2560 64 I 3.6748 8.2183 120.6952 64.0331 36.9368 176.3214 65 P 4.1811 0.0000 0.0000 65.3291 31.1859 178.2255 66 L 3.6077 7.7102 118.5602 58.6109 41.9532 179.1545 67 T 3.6509 7.8315 115.5961 66.4919 68.2548 176.2598 68 H 3.2882 7.9548 120.4075 59.1287 29.9274 177.5439 69 V 3.5514 7.8631 120.2243 65.7230 31.2961 177.7929 70 L 3.7964 7.7626 119.9436 57.9785 41.8934 178.6921 71 A 3.9521 8.2281 121.1068 55.0520 18.4332 179.0768 72 E 3.8058 8.2157 117.5117 59.5811 29.5315 178.9158 73 A 4.0056 7.6528 119.1392 55.1241 18.4789 179.1093 74 L 4.2093 7.8739 116.0681 55.2267 41.8793 177.7818 75 G 3.8506 7.8090 106.0110 46.1634 0.0000 172.9000 76 L 5.0006 7.9084 118.1439 51.8215 45.4855 174.4739 77 P 4.9365 0.0000 0.0000 62.3981 33.8076 173.6913 78 Y 5.2726 7.7474 116.5367 55.9329 41.1193 174.2583 79 V 3.1467 8.6309 112.7278 58.9911 36.0165 174.9301 80 V 4.8912 6.3458 120.9281 61.1456 34.1509 174.6879 81 A 4.7361 9.2766 130.3053 51.7218 20.2249 176.8912 82 R 4.7888 9.8130 121.9113 55.3850 32.3894 177.3719 83 R 4.8373 9.0461 119.0509 55.5619 30.4793 176.6599 84 R 4.1542 7.1777 111.1570 54.9630 31.2998 174.3940 85 R 3.1689 6.8952 120.7613 55.9444 30.6192 175.8742 86 R 4.5297 7.8638 120.3017 52.9303 32.0642 173.5233 87 P 3.8793 0.0000 0.0000 64.6905 31.2919 175.6368 88 Y 3.7656 8.1760 116.1196 58.8940 35.3318 169.2926 89 M 4.0370 7.6147 120.4669 55.4152 32.7503 175.4303 90 E 3.9215 9.4374 127.6235 57.7330 30.3888 177.3290 91 D 4.5621 7.9992 125.2546 53.5108 38.5371 172.2211 92 P 4.8309 0.0000 0.0000 62.4824 33.1735 177.2465 93 I 4.1426 8.8076 123.3865 61.0754 38.4024 174.8153 94 I 4.5256 8.1589 127.2998 59.3708 39.5723 174.9275 95 Q 4.3695 8.6780 127.3609 54.4679 32.4800 173.1795 96 E 4.6936 8.7953 127.4518 55.5941 30.9208 175.2098 97 V 4.2965 8.8326 126.9198 60.8877 33.2273 175.1882 98 Q 3.8282 8.7456 127.9543 57.4656 28.8808 176.3480 99 T 4.5810 8.3896 123.1447 61.9063 67.8342 172.5828 100 L 4.5303 8.4644 114.6747 54.2159 43.8447 177.3717 101 T 4.6858 7.3185 118.4018 61.7723 68.7393 171.0718 *104 V 3.8379 7.8559 121.3455 61.6571 33.1389 176.8376 105 G 3.9457 8.3353 113.0373 44.8527 0.0000 172.6110 106 E 4.1855 8.6967 118.0749 56.7615 30.7651 176.4185 107 V 4.7005 8.4116 122.4010 61.1876 33.9855 174.5096 108 L 5.0467 9.2892 128.5638 53.4072 43.8605 175.5670 109 W 5.1055 9.6206 122.9669 54.7772 32.5030 174.0929 110 L 5.1236 9.0529 127.3969 52.8908 44.0380 175.3211 111 D 4.6998 9.0514 126.1939 54.4505 42.0860 176.7942 112 R 3.9195 8.6779 125.7243 60.0065 29.7640 179.0763 113 R 3.9547 8.1853 116.5216 59.3342 30.2490 178.7386 114 F 4.6975 7.8352 116.7536 60.3731 39.1386 177.4539 115 A 4.0249 8.4198 120.8731 55.4092 18.1672 179.5184 116 E 3.9890 8.7175 117.3269 59.3169 29.3158 179.0223 117 K 4.3485 7.8429 116.0988 57.5164 32.5847 178.0651 118 L 4.4992 7.7405 119.3242 53.7992 41.9464 175.8712 119 L 4.1277 6.9438 119.8186 56.6502 42.0791 175.9829 120 N 4.2967 9.1307 122.4402 54.3330 37.1558 173.8860 121 Q 4.8017 7.9949 116.6143 54.4994 31.8838 175.4211 122 R 4.3018 8.9855 121.6006 55.3390 31.1455 175.6980 123 V 4.6497 8.7034 125.5073 61.4552 33.9820 174.7246 124 V 4.8390 8.4354 126.5892 61.0452 34.0821 174.4438 125 L 4.8350 8.8189 128.7827 54.4427 43.0296 176.1853 126 V 4.8944 8.8572 122.6603 61.4031 35.1951 174.1141 127 S 4.7238 8.7636 120.7375 57.0997 66.1770 174.3577 128 D 4.6119 8.9334 122.5179 55.8682 40.4879 176.3946 129 V 5.2738 7.8113 116.6169 60.6582 35.2463 174.8917 130 V 4.2763 9.0070 124.9143 61.5352 34.3850 173.1704 131 A 4.7088 8.9429 123.9116 52.6890 20.7011 178.1396 132 S 3.9710 8.9345 114.8066 58.5626 64.4686 177.1136 133 G 4.1131 8.2916 107.7747 45.1118 0.0000 174.6984 134 E 3.9918 8.1354 120.5012 59.3997 29.3221 179.4184 135 T 3.8414 7.7969 115.4433 66.9931 68.5822 176.5713 136 M 4.0071 7.9304 120.0087 58.1925 31.9087 178.8997 137 R 3.8509 8.0002 118.2844 59.1306 30.1849 178.9156 138 A 3.9834 7.9621 120.6258 55.3227 18.3235 179.6419 139 M 3.7543 7.9122 117.2511 58.4035 31.8648 178.5861 140 E 3.8851 8.2582 119.5806 59.1713 29.7379 179.0429 141 K 3.9774 7.8854 118.3306 59.6236 31.8397 179.2569 142 M 4.1269 7.6169 117.8958 58.2066 32.1569 178.5770 143 V 3.8664 7.9973 118.4525 66.1432 31.7467 177.7453 144 L 4.3011 8.0616 120.0436 57.4892 41.3812 180.0827 145 R 3.9983 8.0653 115.6309 58.4585 30.0479 177.9932 146 A 4.4466 7.9555 118.6899 51.9921 19.2035 177.8262 147 G 3.8215 8.4869 106.4976 45.2848 0.0000 173.2573 148 G 4.4930 7.8676 108.4113 43.4414 0.0000 171.5305 149 H 4.9819 8.3747 112.4789 53.7775 32.3390 172.7133 150 V 4.5120 8.4258 120.1226 62.6702 31.8209 175.9466 151 V 4.3647 8.6133 120.4295 61.2635 32.7932 175.5579 152 A 4.4343 7.2448 119.8088 51.3124 22.4792 175.3719 153 R 4.9007 8.1563 118.0065 54.4561 33.9565 174.5123 154 L 5.3521 9.2881 123.4477 53.0741 45.9742 175.5165 155 A 5.6368 8.4539 122.0265 50.8290 22.7801 177.4765 156 V 3.3326 8.7446 121.5255 65.6000 32.6160 175.6703 157 F 5.5888 8.6517 119.1195 55.5872 42.2190 174.2526 158 R 4.9229 9.1042 122.7680 54.6604 32.5474 174.3299 159 Q 4.3468 9.3645 128.7713 55.0262 29.4336 176.1274 160 G 3.6678 8.5670 118.7142 46.5569 0.0000 172.1646 161 T 4.4238 8.3098 120.1396 61.1970 69.1480 172.8989 162 P 5.2139 0.0000 0.0000 62.0194 31.9924 177.5419 163 G 3.7352 8.5901 109.5586 46.2195 0.0000 173.5347 164 L 4.6709 7.1772 120.6973 52.3994 45.0378 175.7894 165 A 4.0935 8.5320 128.0421 52.4005 18.6814 177.0761 166 V 4.6074 7.9721 122.2364 61.5375 35.1433 173.7323 167 D 4.8858 9.0397 128.0252 53.7951 42.1027 175.6983 168 T 5.5944 8.2842 112.1456 59.0731 71.8276 173.6777 169 V 4.0409 8.3148 120.8272 64.8094 32.6411 175.3736 170 A 4.7065 8.0084 119.9408 50.7021 23.1182 174.7080 171 E 4.8712 8.7242 120.3024 54.9968 31.2052 175.2469 172 L 4.4703 9.1335 130.3846 53.1183 42.5812 174.6807 173 P 4.2674 0.0000 0.0000 62.5858 32.0046 175.6980 174 V 4.2190 8.1006 120.5796 61.2984 32.7123 175.5511 175 L 4.2523 8.8944 126.9373 54.9185 41.5740 176.3615 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 4.45 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 E 8.43 4.07 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 2.40 2.37 0.00 3 T 8.57 4.90 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 4 Y 9.03 4.74 0.00 2.95 2.71 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 5 P 0.00 4.81 0.00 2.01 1.99 0.00 2.48 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 6 I 8.85 4.88 1.87 0.00 0.00 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 1.32 0.89 1.19 0.00 0.00 7 T 8.69 5.34 4.34 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 1.25 0.00 0.00 8 V 9.08 4.36 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 0.90 0.00 0.00 1.02 0.00 0.00 9 G 10.03 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 10 G 8.55 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 11 V 8.11 4.28 2.52 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 1.14 0.00 0.00 1.05 0.00 0.00 12 T 8.33 5.17 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 1.05 0.00 0.00 13 R 8.67 4.37 0.00 1.01 1.33 0.00 2.98 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 14 H 8.71 5.06 0.00 2.99 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.14 4.45 2.16 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 0.58 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.96 0.00 2.05 1.95 0.00 3.80 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 2.09 1.94 0.00 17 L 8.36 5.11 0.00 1.50 1.55 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.72 4.40 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.89 0.00 0.00 19 E 8.38 5.33 0.00 2.00 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 2.27 2.35 0.00 20 P 0.00 4.47 0.00 2.20 2.17 0.00 3.96 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 21 L 7.45 4.75 0.00 1.77 1.52 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.28 0.00 2.16 2.10 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 23 G 10.14 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.35 4.50 0.00 1.81 1.81 0.00 3.09 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 25 R 8.46 5.06 0.00 1.71 1.77 0.00 3.06 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 26 I 8.39 4.96 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.23 0.83 0.00 0.00 27 P 0.00 4.65 0.00 1.73 1.93 0.00 3.41 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 28 L 8.42 4.35 0.00 1.57 1.63 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.11 3.75 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 0.62 0.00 0.00 0.37 0.00 0.00 30 E 8.34 4.54 0.00 1.85 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 2.18 2.39 0.00 31 F 8.75 4.77 0.00 3.40 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 32 L 7.97 4.21 0.00 1.80 1.68 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.12 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.91 4.83 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.31 0.00 2.24 2.13 0.00 3.71 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 2.15 2.20 0.00 36 E 8.22 3.98 0.00 2.09 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 2.50 2.44 0.00 37 F 8.53 4.57 0.00 3.32 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 38 T 8.40 3.66 4.42 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 1.10 0.00 0.00 39 R 8.26 3.81 0.00 1.88 1.93 0.00 3.10 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 40 A 7.97 3.96 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 41 A 7.78 3.70 0.93 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 42 A 7.88 3.75 1.21 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 0.00 0.00 43 E 8.26 3.89 0.00 2.08 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 2.31 2.41 0.00 44 A 7.52 4.07 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 45 L 7.68 4.06 0.00 1.75 1.62 0.76 0.61 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 46 R 7.86 3.83 0.00 1.94 1.91 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 47 P 0.00 4.31 0.00 2.03 2.08 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.86 1.00 0.00 0.00 65 P 0.00 4.18 0.00 2.17 2.11 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 66 L 7.71 3.61 0.00 1.12 1.61 0.39 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.83 3.65 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 0.88 0.00 0.00 68 H 7.95 3.29 0.00 3.14 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.86 3.55 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 0.88 0.00 0.00 0.96 0.00 0.00 70 L 7.76 3.80 0.00 1.73 1.69 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.23 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.22 3.81 0.00 2.07 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 0.00 2.30 2.34 0.00 73 A 7.65 4.01 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 74 L 7.87 4.21 0.00 1.77 1.72 0.88 0.73 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 75 G 7.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.91 5.00 0.00 1.51 1.57 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.94 0.00 2.06 2.17 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 78 Y 7.75 5.27 0.00 2.98 2.84 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 79 V 8.63 3.15 0.93 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 0.35 0.00 0.00 0.15 0.00 0.00 80 V 6.35 4.89 2.19 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 0.92 0.00 0.00 1.08 0.00 0.00 81 A 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 125 L 8.82 4.83 0.00 1.56 1.43 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.86 4.89 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 0.85 0.00 0.00 0.89 0.00 0.00 127 S 8.76 4.72 0.00 3.90 3.63 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 0.00 128 D 8.93 4.61 0.00 3.32 3.28 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 0.00 129 V 7.81 5.27 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 0.96 0.00 0.00 1.09 0.00 0.00 130 V 9.01 4.28 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 0.79 0.00 0.00 0.93 0.00 0.00 131 A 8.94 4.71 1.20 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 0.00 0.00 0.00 132 S 8.93 3.97 0.00 4.01 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 0.00 133 G 8.29 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 0.00 134 E 8.14 3.99 0.00 2.01 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 2.49 0.00 135 T 7.80 3.84 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 1.20 0.00 0.00 136 M 7.93 4.01 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 137 R 8.00 3.85 0.00 2.01 1.95 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 138 A 7.96 3.98 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 0.00 139 M 7.91 3.75 0.00 1.13 1.89 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.12 0.00 140 E 8.26 3.89 0.00 1.96 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 2.30 2.34 0.00 141 K 7.89 3.98 0.00 1.97 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.71 7.81 142 M 7.62 4.13 0.00 2.17 2.50 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.59 0.00 143 V 8.00 3.87 2.34 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 1.14 0.00 0.00 1.22 0.00 0.00 144 L 8.06 4.30 0.00 1.90 1.74 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.07 4.00 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 146 A 7.96 4.45 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 0.00 147 G 8.49 3.82 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 0.00 148 G 7.87 4.49 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 0.00 149 H 8.37 4.98 0.00 3.20 3.33 0.00 5.26 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.43 4.51 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 0.83 0.00 0.00 0.92 0.00 0.00 151 V 8.61 4.36 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 0.68 0.00 0.00 0.97 0.00 0.00 152 A 7.24 4.43 1.17 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 0.00 153 R 8.16 4.90 0.00 1.69 1.76 0.00 3.20 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 154 L 9.29 5.35 0.00 1.44 1.45 0.87 0.55 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 0.00 155 A 8.45 5.64 1.21 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 0.00 0.00 156 V 8.74 3.33 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 0.16 0.00 0.00 0.73 0.00 0.00 157 F 8.65 5.59 0.00 3.02 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 0.00 158 R 9.10 4.92 0.00 1.88 1.80 0.00 3.19 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 159 Q 9.36 4.35 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.72 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 160 G 8.57 3.67 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 0.00 0.00 0.00 161 T 8.31 4.42 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 0.00 162 P 0.00 5.21 0.00 2.34 2.02 0.00 3.87 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 163 G 8.59 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 0.00 164 L 7.18 4.67 0.00 1.36 1.48 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.53 4.09 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 0.00 166 V 7.97 4.61 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 0.81 0.00 0.00 0.97 0.00 0.00 167 D 9.04 4.89 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.28 5.59 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 1.23 0.00 0.00 169 V 8.31 4.04 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 0.67 0.00 0.00 0.81 0.00 0.00 170 A 8.01 4.71 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 0.00 171 E 8.72 4.87 0.00 2.03 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 2.26 2.48 0.00 172 L 9.13 4.47 0.00 1.64 1.53 0.31 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.27 0.00 1.99 1.97 0.00 3.58 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 1.38 1.61 0.00 174 V 8.10 4.22 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 0.81 0.00 0.00 0.88 0.00 0.00 175 L 8.89 4.25 0.00 1.55 1.54 0.57 1.22 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 * Residues marked with a * may have inaccurate shift predictions.