NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3407 8.2893 120.3507 54.2372 34.5006 174.8791 2 T 4.3705 7.3319 117.5847 59.9806 70.6660 172.8842 3 H 4.7185 9.0352 125.5232 59.1097 32.5447 176.7793 4 D 3.7618 8.5486 123.5721 57.1099 43.1591 180.3923 5 N 3.6474 7.0793 111.1674 54.2805 41.3267 175.6379 6 K 3.8453 8.5261 123.0606 58.4036 33.6221 177.4494 7 L 3.1456 8.8392 123.7124 56.2043 40.4569 174.8021 *8 Q 3.2833 8.7186 126.5801 55.0430 25.3716 171.9439 9 V 3.6489 7.7440 111.1165 62.6288 32.3231 177.9968 10 E 4.1981 8.6594 123.8620 55.8703 27.5310 174.3142 11 A 4.6422 8.1427 124.9183 50.2018 20.7124 176.8756 12 I 4.4276 7.9416 116.0344 58.7377 40.5900 175.9528 13 K 2.9790 8.1115 122.5614 58.3276 32.4739 176.7997 14 R 4.9590 8.1508 117.9327 53.2142 33.3110 174.7019 15 G 3.5527 7.3920 111.7266 45.8421 0.0000 170.3652 16 T 5.0418 7.6151 109.0426 59.7600 72.0800 173.1882 17 V 4.6441 8.5579 124.2500 61.2611 34.2888 174.0497 18 I 4.5736 8.8737 129.6061 59.9732 38.8552 174.4258 19 D 5.0462 8.4330 125.7610 52.2873 45.1828 174.5060 20 H 3.8834 8.7502 117.2766 56.9878 28.3968 174.5627 21 I 4.0090 7.5263 118.9887 59.9150 37.5290 176.3811 22 P 4.4227 0.0000 0.0000 62.1918 30.2805 173.8727 23 A 3.9482 7.9920 125.9314 53.6865 18.7952 178.5187 24 Q 3.4280 8.7458 114.9189 57.5238 28.0169 175.8299 25 I 4.2130 8.3672 117.8156 62.9552 37.1814 177.9282 26 G 3.9145 8.0610 106.9716 48.2299 0.0000 175.4179 27 F 4.2478 8.2574 122.5768 60.3065 39.4874 177.2720 28 K 3.8210 8.0486 117.9337 59.5478 32.0288 178.9601 29 L 4.3112 8.1878 119.3619 57.8859 41.5035 179.6954 30 L 3.9770 7.3307 117.5624 58.1737 41.4349 179.0794 31 S 4.0135 7.7092 115.3780 60.3666 62.5293 176.1806 32 L 3.5524 7.9732 123.1969 57.9116 41.5577 178.8568 33 F 4.4596 7.6837 112.7806 56.1814 39.5002 176.3127 34 K 3.8936 7.8489 119.6137 57.6143 29.5231 175.0379 35 L 4.2500 7.8495 117.0238 56.6697 42.5080 178.8074 36 T 4.2028 7.7212 106.5890 62.3697 69.6734 175.3766 37 E 4.2996 7.7162 123.7547 54.5282 27.9444 174.8530 38 T 4.4566 7.1518 113.1376 61.5954 70.5801 172.5902 39 D 4.7239 8.4696 123.0904 54.2863 41.6418 177.0515 40 Q 4.3077 7.5080 118.3912 54.5925 29.9971 175.7511 41 R 4.0091 8.4163 118.8249 57.0414 30.8287 175.8649 42 I 5.1402 8.3960 124.7305 59.6207 40.4041 175.2526 43 T 4.6643 8.6939 114.5557 60.1150 71.6455 172.6907 44 I 4.9797 8.6502 126.3013 59.2446 40.3910 175.0735 45 G 4.2064 8.9111 112.5059 44.4044 0.0000 171.5266 46 L 5.0827 8.3889 124.4730 53.2486 44.9068 176.1752 47 N 4.2114 9.0640 119.2679 54.2344 36.6179 175.0697 48 L 4.0990 8.3486 118.2834 53.7372 42.5123 175.4563 49 P 4.3846 0.0000 0.0000 63.5886 31.7784 177.6086 50 S 4.7107 8.5806 117.1834 56.8036 63.7333 174.8241 51 G 3.9519 8.2698 114.8281 49.5060 0.0000 173.5541 52 E 4.2231 8.0565 115.6844 58.5232 29.6025 177.8509 53 M 4.6234 8.5724 120.1194 54.5571 34.2148 176.5302 54 G 3.7365 8.9246 110.4820 45.5051 0.0000 174.8038 55 R 4.8927 8.4201 116.2806 54.1546 34.6294 174.0317 56 K 4.7387 9.0740 122.8644 56.4967 36.8960 173.4370 57 D 5.4386 8.9610 119.4568 52.7783 45.4418 175.2668 58 L 4.7390 8.1900 117.8806 54.6882 46.1899 173.2712 59 I 4.9971 8.4937 127.3611 59.4169 40.5288 174.6869 60 K 4.9492 9.1546 125.4886 54.6623 35.2257 175.0793 61 I 4.8664 8.6199 126.2687 59.2745 40.0276 174.5128 62 E 4.3082 8.8246 128.9903 56.0081 30.4550 175.9143 63 N 4.0322 8.5626 123.5176 54.4148 36.6990 174.5298 64 T 4.4697 7.0766 112.3356 62.0000 72.4175 174.7248 65 F 4.8121 8.2842 124.3979 54.7288 39.2113 172.5542 66 L 4.1406 8.0223 123.6420 55.2461 42.6090 176.2676 67 S 4.5452 9.5738 121.3460 57.7447 67.3499 173.1446 68 E 4.0132 8.5871 120.0361 57.9137 28.7671 176.9615 69 D 4.3185 8.3037 119.5093 57.2553 40.1027 178.6857 70 Q 3.9847 7.9296 118.6153 58.4699 28.7854 179.0136 71 V 3.6629 7.6249 118.6673 66.0755 31.8991 177.7448 72 D 4.5520 8.0710 119.7654 56.5146 40.3312 178.5084 73 Q 4.0860 7.9042 120.1113 59.1517 29.0121 178.0500 74 L 4.1765 7.6216 118.9257 56.6216 40.1131 178.7918 75 A 3.9617 7.7846 121.1975 55.2618 17.9632 179.2539 76 L 3.9332 7.6613 117.5256 57.2589 42.1051 177.6637 77 Y 4.4796 7.2727 112.8244 58.3566 40.5427 176.0072 78 A 4.8789 8.2092 120.8322 49.9054 18.8571 175.0450 79 P 4.3302 0.0000 0.0000 64.0992 31.9551 177.3174 80 Q 4.4202 7.6393 116.4151 53.7775 28.3739 173.7752 81 A 4.9555 8.1131 125.3698 50.7075 22.8519 174.7562 82 T 4.6207 8.6779 111.9900 59.9435 71.2501 173.7273 83 V 4.5305 8.8350 126.7492 61.7658 34.0463 174.3201 84 N 5.5485 8.6947 122.9311 51.4776 42.0330 174.5243 85 R 4.9793 9.0657 121.2596 56.1328 32.0113 175.6438 86 I 5.1573 8.8847 119.5694 60.4505 41.2833 175.4678 87 D 4.7950 8.5933 124.9964 53.4651 41.3619 175.6964 88 N 4.3086 8.2522 112.4919 54.0630 39.7489 172.1991 89 Y 3.6647 8.5927 118.6121 58.0700 36.8425 170.8661 90 E 4.6356 8.6359 118.5609 54.8948 32.9688 174.7296 91 V 3.6305 8.2578 121.3339 63.4375 32.0232 176.8747 92 V 4.4149 8.6847 127.9992 59.2904 31.1508 175.0493 93 G 3.9471 7.6339 108.7836 44.6937 0.0000 171.4365 94 K 4.9597 8.5822 125.4615 54.7141 35.0691 175.3050 95 S 4.7874 9.4069 122.9170 56.7826 66.7159 173.2262 96 R 4.8028 8.4774 123.5249 54.0432 32.0639 173.9253 97 P 4.4309 0.0000 0.0000 62.4314 32.3550 176.1364 98 S 4.7637 8.3163 118.9263 56.0304 64.9897 173.5826 99 L 3.8445 8.4107 126.2115 54.8019 42.1928 175.4352 100 P 4.6732 0.0000 0.0000 61.9004 33.2451 174.8683 101 E 4.2270 8.6814 117.6687 59.1981 30.5483 176.7701 102 R 4.8617 7.7849 116.6175 54.9821 33.8495 174.3740 103 I 4.6553 8.7294 123.9883 59.8750 40.1387 174.6710 104 D 5.2097 8.9079 126.4988 54.0756 42.9664 175.9506 105 N 4.6471 9.3257 122.7862 54.1036 37.6175 175.1543 106 V 3.9144 7.4017 115.7084 61.9829 32.4988 174.5195 107 L 4.5744 8.1838 124.4085 53.2915 41.3477 173.2210 108 V 4.5563 7.8006 119.4195 61.0003 34.9705 174.5817 109 C 4.7017 8.8931 126.5911 58.7599 31.6843 172.2690 110 P 4.0220 0.0000 0.0000 65.3529 31.1904 175.8260 111 N 4.5747 7.7055 116.2799 52.9733 38.1823 175.5637 112 S 4.2420 8.6380 121.8039 60.9819 63.3420 174.6566 113 N 4.6235 8.2394 117.0925 53.6713 38.8251 174.1405 114 C 4.3072 8.0098 119.0520 59.6394 32.2230 174.3106 115 I 3.7771 8.3368 126.6325 63.5518 37.8343 177.5916 116 S 3.8891 7.0082 114.6369 60.8341 62.7749 175.3767 117 H 4.3892 7.7420 118.2677 58.2352 28.5380 176.0760 118 A 4.4388 7.8490 119.0696 52.1644 19.5119 176.3113 119 E 4.7181 7.5564 114.6102 53.3653 32.9597 175.0127 120 P 4.6503 0.0000 0.0000 62.9633 29.4383 176.1534 121 V 4.4942 7.0800 117.0521 60.4247 34.8402 175.5085 122 S 4.8533 8.4813 117.7229 57.0634 64.0270 174.4898 123 S 4.5466 8.7126 119.2606 59.0265 64.6053 172.9995 124 S 5.2136 8.2406 114.2888 57.3919 65.9397 172.7439 125 F 5.3847 9.3166 124.3652 55.7411 43.3640 173.4712 126 A 4.8045 9.1304 125.0377 51.0467 20.3925 176.2073 127 V 4.6200 7.9199 122.2562 61.5232 33.3990 175.6746 128 R 4.3639 8.6518 127.9953 55.3013 33.4651 173.8544 129 K 4.5463 8.8053 129.3896 56.0197 32.3524 176.4390 130 R 4.1253 8.9615 129.7440 54.0874 28.8372 173.5630 131 A 4.0551 7.6808 126.6132 54.2877 17.1145 175.3502 132 N 4.5475 7.4023 126.8858 53.1452 37.1337 175.5491 133 D 5.1161 8.4751 118.0564 51.2909 42.6976 174.3295 134 I 4.9668 8.1561 118.1135 59.7363 40.3590 174.9185 135 A 5.0210 9.3074 129.6472 50.8411 21.1467 175.8165 136 L 5.3129 8.8605 120.1671 52.9459 45.3428 175.3996 137 K 5.0250 9.1660 126.2937 54.6142 34.3941 175.0608 138 C 3.7339 8.9257 128.4880 59.0019 32.1299 174.1922 139 K 3.6289 8.0947 127.4863 59.8154 31.8549 177.6632 140 Y 4.1966 7.7975 116.4880 60.4367 38.1684 176.4521 141 C 4.2756 8.0390 112.8805 58.4573 30.4649 174.0423 142 E 4.8424 7.9600 117.4850 56.4866 26.8635 173.8863 143 K 4.3239 7.3448 117.6348 55.3295 34.1308 175.2294 144 E 4.9786 8.1053 124.1958 54.5841 31.2711 174.9200 145 F 5.1279 9.0468 124.6009 55.2732 43.9688 174.5010 146 S 4.5241 8.7883 115.6620 58.3457 62.9912 175.0613 147 H 4.1568 9.0811 123.5710 58.7206 28.0861 177.7895 148 N 4.2181 7.3285 118.7948 56.1829 38.3687 177.4240 149 V 3.5830 7.8643 119.7772 65.7415 31.0147 178.3286 150 V 3.4576 7.4144 117.6378 65.6584 31.3835 177.5109 151 L 4.1722 8.0456 116.5079 56.8242 41.4935 178.2867 152 A 4.1879 8.1022 120.9535 52.3197 18.8346 176.6919 153 N 4.2800 7.7982 119.1201 53.6606 41.2852 174.6839 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 8.29 4.34 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 7.33 4.37 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 3 H 9.04 4.72 0.00 3.19 3.13 0.00 5.87 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.55 3.76 0.00 2.78 2.83 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 0.00 0.00 0.00 5 N 7.08 3.65 0.00 2.95 3.02 0.00 0.00 7.16 8.08 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 6 K 8.53 3.85 0.00 1.91 1.98 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.53 7.81 7 L 8.84 3.15 0.00 1.69 1.66 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 8.72 3.28 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.57 0.00 0.00 0.00 0.00 0.00 2.20 1.93 0.00 9 V 7.74 3.65 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 0.88 0.00 0.00 0.95 0.00 0.00 10 E 8.66 4.20 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 11 A 8.14 4.64 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 12 I 7.94 4.43 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.92 0.00 0.00 13 K 8.11 2.98 0.00 1.30 1.58 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.02 7.81 14 R 8.15 4.96 0.00 1.76 1.61 0.00 3.48 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 15 G 7.39 3.55 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 0.00 0.00 0.00 16 T 7.62 5.04 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 1.35 0.00 0.00 17 V 8.56 4.64 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 0.97 0.00 0.00 0.92 0.00 0.00 18 I 8.87 4.57 1.86 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 1.08 0.42 0.90 0.00 0.00 19 D 8.43 5.05 0.00 2.78 2.49 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 20 H 8.75 3.88 0.00 3.31 3.33 0.00 5.78 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.53 4.01 1.89 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 1.37 0.40 0.98 0.00 0.00 22 P 0.00 4.42 0.00 2.21 2.18 0.00 3.94 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 23 A 7.99 3.95 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 24 Q 8.75 3.43 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 25 I 8.37 4.21 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.79 1.05 0.00 0.00 26 G 8.06 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 27 F 8.26 4.25 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.05 3.82 0.00 1.99 1.65 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.76 7.81 29 L 8.19 4.31 0.00 1.82 1.79 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.33 3.98 0.00 1.43 1.46 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.71 4.01 0.00 3.70 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 32 L 7.97 3.55 0.00 0.80 0.75 0.11 0.65 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 33 F 7.68 4.46 0.00 3.19 3.05 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 34 K 7.85 3.89 0.00 1.80 1.90 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.44 7.81 35 L 7.85 4.25 0.00 1.61 1.70 0.90 1.07 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 36 T 7.72 4.20 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 1.16 0.00 0.00 37 E 7.72 4.30 0.00 1.97 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 2.28 2.27 0.00 38 T 7.15 4.46 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 1.22 0.00 0.00 39 D 8.47 4.72 0.00 2.68 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 40 Q 7.51 4.31 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 41 R 8.42 4.01 0.00 1.91 1.85 0.00 3.06 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 42 I 8.40 5.14 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 1.37 0.69 0.97 0.00 0.00 43 T 8.69 4.66 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 44 I 8.65 4.98 1.91 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 1.30 0.69 0.97 0.00 0.00 45 G 8.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.39 5.08 0.00 1.48 1.55 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.06 4.21 0.00 2.87 2.89 0.00 0.00 7.03 7.47 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 48 L 8.35 4.10 0.00 1.65 1.59 0.92 1.01 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 49 P 0.00 4.38 0.00 2.03 2.04 0.00 3.69 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 2.03 2.11 0.00 50 S 8.58 4.71 0.00 3.95 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 51 G 8.27 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 0.00 0.00 0.00 52 E 8.06 4.22 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 53 M 8.57 4.62 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 54 G 8.92 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 55 R 8.42 4.89 0.00 1.77 1.74 0.00 3.08 0.00 0.00 2.70 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 56 K 9.07 4.74 0.00 1.89 1.79 0.00 1.35 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.41 7.81 57 D 8.96 5.44 0.00 2.54 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.74 0.00 1.64 1.46 1.00 1.63 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 59 I 8.49 5.00 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 1.23 0.50 0.89 0.00 0.00 60 K 9.15 4.95 0.00 1.74 1.65 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 61 I 8.62 4.87 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.84 0.00 0.00 62 E 8.82 4.31 0.00 2.15 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 0.00 2.32 2.19 0.00 63 N 8.56 4.03 0.00 2.80 2.81 0.00 0.00 6.77 7.97 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 64 T 7.08 4.47 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 1.13 0.00 0.00 65 F 8.28 4.81 0.00 3.05 2.87 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 66 L 8.02 4.14 0.00 1.56 1.60 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.57 4.55 0.00 4.01 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 68 E 8.59 4.01 0.00 2.18 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 0.00 2.30 2.28 0.00 69 D 8.30 4.32 0.00 2.89 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 70 Q 7.93 3.98 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 71 V 7.62 3.66 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 1.05 0.00 0.00 0.91 0.00 0.00 72 D 8.07 4.55 0.00 3.01 2.75 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 73 Q 7.90 4.09 0.00 2.40 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 74 L 7.62 4.18 0.00 1.71 1.65 0.81 -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 0.00 0.00 0.00 0.00 75 A 7.78 3.96 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 76 L 7.66 3.93 0.00 1.51 1.09 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.27 4.48 0.00 3.11 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.21 4.88 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 79 P 0.00 4.33 0.00 2.18 2.30 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 80 Q 7.64 4.42 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 81 A 8.11 4.96 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 82 T 8.68 4.62 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 1.20 0.00 0.00 83 V 8.84 4.53 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 0.95 0.00 0.00 0.91 0.00 0.00 84 N 8.69 5.55 0.00 2.69 2.68 0.00 0.00 6.83 7.53 0.00 0.00 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 R 9.07 4.98 0.00 1.96 2.35 0.00 3.00 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 86 I 8.88 5.16 1.89 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 1.28 0.59 1.05 0.00 0.00 87 D 8.59 4.79 0.00 2.76 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 0.00 0.00 0.00 88 N 8.25 4.31 0.00 2.72 2.75 0.00 0.00 7.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.59 3.66 0.00 3.18 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 90 E 8.64 4.64 0.00 1.89 1.81 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 2.24 2.29 0.00 91 V 8.26 3.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 92 V 8.68 4.41 2.33 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 0.77 0.00 0.00 0.95 0.00 0.00 93 G 7.63 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 0.00 0.00 0.00 94 K 8.58 4.96 0.00 1.73 1.66 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.50 7.81 95 S 9.41 4.79 0.00 3.71 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.48 4.80 0.00 1.78 1.79 0.00 3.48 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 97 P 0.00 4.43 0.00 2.08 2.11 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 98 S 8.32 4.76 0.00 3.83 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 99 L 8.41 3.84 0.00 1.56 1.58 0.87 0.93 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 0.00 100 P 0.00 4.67 0.00 2.25 2.10 0.00 3.83 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 2.07 2.00 0.00 101 E 8.68 4.23 0.00 2.14 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 2.38 2.38 0.00 102 R 7.78 4.86 0.00 1.84 1.77 0.00 3.23 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 103 I 8.73 4.66 1.99 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 1.32 0.81 1.09 0.00 0.00 104 D 8.91 5.21 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 9.33 4.65 0.00 2.89 3.00 0.00 0.00 6.87 7.23 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 0.00 106 V 7.40 3.91 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 0.71 0.00 0.00 0.54 0.00 0.00 107 L 8.18 4.57 0.00 1.86 1.71 0.63 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.80 4.56 2.24 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 0.87 0.00 0.00 0.96 0.00 0.00 109 C 8.89 4.70 0.00 3.11 2.83 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 0.00 0.00 0.00 110 P 0.00 4.02 0.00 0.94 1.73 0.00 3.22 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.76 0.00 111 N 7.71 4.57 0.00 3.22 2.86 0.00 0.00 6.82 7.51 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 0.00 112 S 8.64 4.24 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.62 0.00 2.72 2.89 0.00 0.00 6.93 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 0.00 114 C 8.01 4.31 0.00 3.06 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 0.00 115 I 8.34 3.78 1.83 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 1.40 0.93 0.72 0.00 0.00 116 S 7.01 3.89 0.00 3.98 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.74 4.39 0.00 3.10 3.34 0.00 5.66 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 0.00 118 A 7.85 4.44 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 0.00 119 E 7.56 4.72 0.00 1.79 1.74 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 2.12 2.09 0.00 120 P 0.00 4.65 0.00 2.16 2.09 0.00 3.66 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 1.96 1.93 0.00 121 V 7.08 4.49 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 0.53 0.00 0.00 0.91 0.00 0.00 122 S 8.48 4.85 0.00 3.84 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 0.00 123 S 8.71 4.55 0.00 4.17 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 0.00 124 S 8.24 5.21 0.00 4.00 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 0.00 125 F 9.32 5.38 0.00 2.98 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 0.00 126 A 9.13 4.80 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 0.00 127 V 7.92 4.62 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 0.80 0.00 0.00 1.04 0.00 0.00 128 R 8.65 4.36 0.00 1.92 1.74 0.00 3.14 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 129 K 8.81 4.55 0.00 1.80 1.74 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.55 7.81 130 R 8.96 4.13 0.00 1.93 2.00 0.00 3.23 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 131 A 7.68 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.40 4.55 0.00 2.80 2.91 0.00 0.00 7.05 8.47 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 0.00 133 D 8.48 5.12 0.00 2.90 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 0.00 134 I 8.16 4.97 1.66 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 1.23 0.71 0.88 0.00 0.00 135 A 9.31 5.02 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 0.00 136 L 8.86 5.31 0.00 1.69 1.71 0.69 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.17 5.02 0.00 1.83 1.71 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.33 7.81 138 C 8.93 3.73 0.00 2.98 2.74 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 0.00 139 K 8.09 3.63 0.00 1.62 1.19 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.68 1.10 7.81 140 Y 7.80 4.20 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 8.04 4.28 0.00 3.16 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 0.00 142 E 7.96 4.84 0.00 2.11 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 2.15 2.22 0.00 143 K 7.34 4.32 0.00 1.62 1.27 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.31 7.81 144 E 8.11 4.98 0.00 1.85 1.67 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 2.15 2.30 0.00 145 F 9.05 5.13 0.00 2.96 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 0.00 146 S 8.79 4.52 0.00 3.87 3.76 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 0.00 0.00 0.00 147 H 9.08 4.16 0.00 3.32 3.64 0.00 5.32 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.33 4.22 0.00 2.67 2.83 0.00 0.00 6.48 7.56 0.00 0.00 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 V 7.86 3.58 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 0.91 0.00 0.00 0.97 0.00 0.00 150 V 7.41 3.46 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 0.60 0.00 0.00 0.80 0.00 0.00 151 L 8.05 4.17 0.00 1.62 1.69 0.78 0.58 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 0.00 152 A 8.10 4.19 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 0.00 153 N 7.80 4.28 0.00 2.77 2.84 0.00 0.00 7.00 7.53 0.00 0.00 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.