NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.4946 8.1627 120.3374 55.7593 34.4912 177.3412 7 Y 3.8317 8.1359 118.8972 60.1796 38.8954 175.7876 8 L 3.9605 8.1045 120.0136 58.3477 42.1624 179.3484 9 S 4.2283 8.0059 113.0249 60.8325 63.2232 176.2026 10 K 3.8690 7.8073 122.9389 59.6487 31.9288 178.9191 11 Q 3.9100 8.0954 118.7253 58.6952 28.3441 178.5389 12 L 3.9999 8.0281 121.5470 58.0303 42.1218 178.2150 13 C 4.1450 8.2727 118.8214 62.6999 31.4154 175.5338 14 F 4.1642 8.4055 121.7608 61.4559 39.2377 177.1861 15 L 3.9120 8.3848 118.8270 57.7649 41.3629 179.6375 16 F 3.9644 8.0454 117.9088 60.2593 38.9648 177.0438 17 Y 4.0838 8.0765 119.3128 60.8092 38.6841 178.6349 18 V 3.0962 7.7236 119.1288 65.7705 31.5289 177.9029 19 S 4.0314 7.6820 114.7582 61.9708 62.7391 176.9185 20 S 4.0775 7.9300 115.3130 60.9797 62.1710 175.9174 21 K 3.6811 7.7977 122.5251 59.2646 31.6222 178.3935 22 E 4.0903 7.8448 118.0241 58.6143 29.6296 178.8201 23 I 3.7733 8.0649 120.2953 64.6006 37.1549 178.5676 24 I 3.4198 7.5448 120.4832 63.9596 36.8680 178.1297 25 K 3.7371 7.8078 120.3829 59.7163 31.7576 178.9288 26 K 3.7808 7.5704 118.3346 59.6243 32.1042 179.1017 27 Y 4.0782 8.2317 117.1920 61.0712 37.5487 178.8728 28 T 3.9235 8.3258 117.3628 66.6506 68.3534 175.9911 29 N 4.1481 7.6245 116.9857 57.1356 38.6394 176.7249 30 Y 4.3802 7.5913 117.4865 61.0088 37.9596 178.2433 31 L 4.1553 8.6614 119.9163 57.0139 41.6973 179.3237 32 K 3.9545 7.9078 119.3945 59.5611 31.7548 178.5929 33 E 3.9851 7.8219 118.0521 58.5130 29.5567 177.3754 34 Y 4.5088 8.1078 114.1712 56.4636 39.1652 174.8947 35 D 4.5346 8.0896 118.8245 55.5790 39.1767 173.4424 36 L 4.9301 8.0516 116.8597 53.0673 44.5778 177.6206 37 T 4.4114 8.2642 113.0285 61.0813 71.3501 175.1996 38 Y 4.2264 8.6292 121.9944 61.5316 38.7979 178.5634 39 T 3.8218 8.1024 116.1601 66.3446 68.6001 176.8814 40 G 3.6441 8.1266 107.6985 47.6883 0.0000 175.2039 41 Y 4.0063 8.1583 121.7920 60.6030 38.6387 177.8917 42 I 3.3444 7.3541 119.3045 64.4663 37.6011 178.2075 43 V 3.6420 7.5572 118.5408 66.0136 31.5242 177.9823 44 L 3.9082 7.8277 118.6612 58.1597 41.2142 179.5106 45 M 3.8604 7.6587 117.2166 57.7794 31.8467 177.4147 46 A 4.0625 7.4732 119.9955 53.0107 19.1876 177.0247 47 I 4.2141 7.1513 116.8324 59.1999 37.6927 175.7436 48 E 4.1310 8.7748 125.7903 56.1653 30.1040 178.2227 49 N 4.2417 8.8598 118.6707 56.5299 38.5838 176.0349 50 D 4.7820 7.8239 113.4971 53.7350 41.4213 176.1371 51 E 4.0862 7.8649 121.1090 55.8475 30.1746 175.6669 52 K 4.8247 8.4675 125.7929 54.6504 34.6323 174.9251 53 L 5.0150 8.8225 126.7795 52.6961 45.7374 175.3657 54 N 5.0379 8.4596 117.9932 52.2947 38.8096 176.3340 55 I 3.7114 8.5252 122.0880 64.2527 37.1143 178.8380 56 K 3.8605 8.0343 120.1942 59.4387 32.1245 178.5729 57 K 3.8852 8.5831 120.1435 59.2235 32.1638 178.4804 58 L 3.9590 7.9982 120.8060 58.0998 42.0840 178.8376 59 G 3.8136 8.2710 106.1124 48.1195 0.0000 175.0350 60 E 3.7177 8.0064 121.5081 59.0279 29.4265 179.1596 61 R 3.8853 7.7855 116.9054 58.2522 30.1228 177.8997 62 V 4.3357 7.1826 108.5526 60.2980 32.2642 175.3529 63 F 3.6863 7.4254 116.4641 58.7879 36.6758 175.1000 64 L 4.7888 7.8222 118.9176 52.5319 44.5853 177.4096 65 D 4.7287 8.3662 122.9097 52.5139 42.1787 177.6558 66 S 4.2040 8.5532 114.3538 61.2561 62.6814 176.5317 67 G 3.6639 8.1210 108.5029 47.5602 0.0000 174.7865 68 T 4.3248 7.7158 116.5628 65.3837 69.2421 177.0213 69 L 4.0754 8.1604 122.5735 58.2428 42.0682 179.1517 70 T 3.8566 8.0209 115.9710 66.1675 68.5118 174.9032 71 P 4.2618 0.0000 0.0000 65.7230 31.1148 178.1595 72 L 3.9619 7.5828 118.9466 57.9963 41.9544 178.9477 73 L 3.9870 8.1486 119.2877 57.5561 41.5646 179.2142 74 K 3.8820 8.2204 119.6700 59.5137 32.0259 179.0004 75 K 3.9815 8.0191 118.4518 59.5895 32.0769 179.2902 76 L 4.0817 8.1567 119.3631 57.9195 41.5044 179.3331 77 E 4.2762 8.4831 120.9913 58.5989 29.3497 178.7827 78 K 3.9786 7.8428 118.9027 59.1699 32.3130 178.1230 79 K 4.0380 7.8399 115.7702 55.9767 31.8322 176.6183 80 D 4.4800 7.6879 117.7237 55.7029 38.8056 174.2401 81 Y 4.9716 7.8843 118.8072 58.7793 40.1265 176.2053 82 V 5.0567 7.7851 110.5491 59.4986 36.5860 174.9140 83 V 4.5004 8.9228 116.0001 59.7153 34.5156 174.8726 84 R 5.1738 8.5116 124.3104 54.6989 31.8035 175.8319 85 T 4.6393 9.2783 116.3460 60.0189 72.4617 173.5854 86 R 4.0220 8.7508 124.3124 57.3314 29.6928 174.4516 *94 L 4.1668 8.2462 126.3726 54.1910 43.2637 175.3859 95 Q 5.2217 9.3755 125.9515 54.3039 31.6044 174.6541 96 I 5.1556 9.0129 123.4175 59.7143 40.8811 174.7781 97 S 5.0744 8.7019 119.3386 56.7092 66.9776 173.1490 98 L 4.7362 8.3987 120.6460 54.7789 42.4840 177.3474 99 T 4.2300 8.4659 113.3521 61.2081 70.3427 175.2966 100 E 4.0235 8.8416 120.2842 59.5413 29.1855 179.3683 101 Q 4.1729 8.1720 119.4975 59.0035 29.0139 178.1888 102 G 3.6854 8.3834 106.4634 47.7508 0.0000 175.6122 103 K 4.2133 8.3237 120.6148 59.1156 31.8209 179.3271 104 A 4.1284 8.0712 120.5762 54.1082 18.5952 178.5776 105 I 4.3019 7.3831 110.0398 61.0320 38.0832 177.7409 106 K 3.8921 7.7042 121.8926 59.8738 31.9221 179.0293 107 S 4.1104 8.0174 115.0626 61.1111 62.9825 174.7261 108 P 4.2840 0.0000 0.0000 65.9115 30.7492 178.1428 109 L 3.8652 8.1346 117.8974 57.6177 41.5191 178.9669 110 A 4.2025 8.1698 120.5986 55.4365 18.2784 179.5697 111 E 3.9671 8.1510 116.6644 59.0759 29.4289 179.4051 112 I 3.2633 7.5268 119.8998 64.4585 37.2198 177.8400 113 S 4.7285 7.8835 114.6047 60.9238 62.2659 176.5507 114 V 3.6525 7.7898 119.9720 65.9360 31.1739 177.6143 115 K 3.7408 7.6091 116.8435 59.8084 32.2782 178.9289 116 V 3.5238 7.8553 118.3616 66.2295 31.5164 178.1060 117 F 4.5610 8.4989 117.2440 59.9997 38.5450 177.3433 118 N 4.4063 7.9840 116.3190 56.7775 38.9059 176.4207 119 E 3.9955 7.7598 117.7243 57.6683 29.7376 177.5011 120 F 4.2907 7.2040 117.2039 56.8870 39.7459 175.3598 121 N 4.7182 8.5680 122.2695 52.2735 37.7947 173.6831 122 I 4.7639 7.8474 124.1576 58.1684 41.2013 175.6806 123 S 4.5577 9.2560 123.5733 57.4478 65.3939 175.2593 124 E 3.9283 8.5419 120.6982 59.6279 29.1766 179.5916 125 R 3.8744 7.9312 118.1830 59.4052 30.2121 178.2675 126 E 3.9411 8.3281 118.2213 59.3315 29.3934 179.1589 127 A 3.9524 8.3041 121.1435 55.2670 18.3784 179.8934 128 S 4.0471 8.3002 113.8157 61.7686 62.8959 176.6706 129 D 4.3546 8.1500 121.6034 57.3631 40.5571 178.9235 130 I 3.6565 7.6640 120.2143 64.3093 37.0680 178.3740 131 I 3.6637 7.9345 120.9238 64.6560 36.9892 178.1763 132 N 4.3610 8.5104 117.4534 56.2986 38.3432 177.0806 133 N 4.3250 8.2241 117.7829 56.6266 38.6808 177.4702 134 L 4.2371 8.1075 120.0852 57.5109 41.7037 179.5024 135 R 3.9533 8.5182 119.3705 59.2263 30.0387 177.8825 136 N 4.2536 8.2321 116.9152 56.7820 38.0934 176.2401 137 F 4.1139 8.3805 121.8690 61.6082 39.4121 177.3811 138 V 3.6335 8.3948 117.9498 66.1503 31.1318 178.2011 139 S 4.1779 8.2282 114.2977 61.2806 62.7668 176.0513 140 K 4.1810 7.6867 118.3905 57.3854 32.0088 177.3143 141 N 4.3336 7.0663 110.9811 52.9870 41.4976 174.4423 142 F 4.6365 7.5481 120.3951 57.5822 39.6089 174.7018 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 6 M 8.16 4.49 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 7 Y 8.14 3.83 0.00 3.14 2.98 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 8 L 8.10 3.96 0.00 1.77 1.77 0.97 0.91 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 9 S 8.01 4.23 0.00 4.06 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 10 K 7.81 3.87 0.00 1.81 1.97 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.39 7.81 11 Q 8.10 3.91 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 12 L 8.03 4.00 0.00 1.95 1.72 0.97 0.63 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 13 C 8.27 4.14 0.00 3.25 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 14 F 8.41 4.16 0.00 3.19 3.09 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 0.00 0.00 0.00 15 L 8.38 3.91 0.00 1.77 1.62 0.92 1.36 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 16 F 8.05 3.96 0.00 3.40 3.01 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 17 Y 8.08 4.08 0.00 3.05 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 18 V 7.72 3.10 1.84 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 0.88 0.00 0.00 0.41 0.00 0.00 19 S 7.68 4.03 0.00 3.92 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 20 S 7.93 4.08 0.00 3.98 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 21 K 7.80 3.68 0.00 1.52 1.53 0.00 1.21 0.00 0.00 0.99 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.96 1.30 7.81 22 E 7.84 4.09 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 2.42 2.50 0.00 23 I 8.06 3.77 1.90 0.00 0.00 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 1.35 0.78 1.16 0.00 0.00 24 I 7.54 3.42 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.11 0.75 0.00 0.00 25 K 7.81 3.74 0.00 1.87 1.86 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.42 7.81 26 K 7.57 3.78 0.00 1.76 1.61 0.00 1.36 0.00 0.00 1.29 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.35 7.81 27 Y 8.23 4.08 0.00 3.01 3.01 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 28 T 8.33 3.92 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 1.20 0.00 0.00 29 N 7.62 4.15 0.00 2.30 2.51 0.00 0.00 7.14 7.48 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 30 Y 7.59 4.38 0.00 2.89 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 31 L 8.66 4.16 0.00 1.82 2.01 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.91 3.95 0.00 1.77 1.89 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.78 7.81 33 E 7.82 3.99 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.22 0.00 34 Y 8.11 4.51 0.00 3.18 3.09 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 0.00 0.00 0.00 35 D 8.09 4.53 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.05 4.93 0.00 1.78 1.70 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.26 4.41 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 1.28 0.00 0.00 38 Y 8.63 4.23 0.00 3.04 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.10 3.82 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 1.18 0.00 0.00 40 G 8.13 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 0.00 0.00 0.00 0.00 41 Y 8.16 4.01 0.00 3.02 3.07 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 0.00 0.00 0.00 0.00 42 I 7.35 3.34 1.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.51 0.78 0.00 0.00 43 V 7.56 3.64 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 1.00 0.00 0.00 0.91 0.00 0.00 44 L 7.83 3.91 0.00 1.66 1.52 0.60 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.66 3.86 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 46 A 7.47 4.06 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 47 I 7.15 4.21 1.82 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 1.26 0.77 0.89 0.00 0.00 48 E 8.77 4.13 0.00 2.09 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 2.41 0.00 49 N 8.86 4.24 0.00 2.69 2.89 0.00 0.00 6.87 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.82 4.78 0.00 2.64 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 51 E 7.86 4.09 0.00 1.93 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 2.30 2.23 0.00 52 K 8.47 4.82 0.00 1.75 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.53 7.81 53 L 8.82 5.02 0.00 1.57 1.48 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.46 5.04 0.00 2.75 2.92 0.00 0.00 5.98 7.81 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 55 I 8.53 3.71 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 1.40 0.78 0.90 0.00 0.00 56 K 8.03 3.86 0.00 1.79 1.95 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 57 K 8.58 3.89 0.00 1.81 1.85 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 58 L 8.00 3.96 0.00 1.78 1.76 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.27 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.01 3.72 0.00 2.06 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 2.08 2.17 0.00 61 R 7.79 3.89 0.00 1.94 1.92 0.00 3.11 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 62 V 7.18 4.34 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 0.65 0.00 0.00 0.92 0.00 0.00 63 F 7.43 3.69 0.00 3.16 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 64 L 7.82 4.79 0.00 1.59 1.53 0.91 0.82 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 65 D 8.37 4.73 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.55 4.20 0.00 4.06 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 67 G 8.12 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 0.00 0.00 0.00 68 T 7.72 4.32 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 69 L 8.16 4.08 0.00 1.73 1.70 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.02 3.86 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 1.21 0.00 0.00 71 P 0.00 4.26 0.00 2.27 2.32 0.00 3.82 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 2.26 2.07 0.00 72 L 7.58 3.96 0.00 2.04 1.84 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.15 3.99 0.00 1.86 1.71 0.92 1.11 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 74 K 8.22 3.88 0.00 1.83 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 75 K 8.02 3.98 0.00 2.07 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.67 7.81 76 L 8.16 4.08 0.00 1.90 1.85 0.96 1.00 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 77 E 8.48 4.28 0.00 2.12 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 0.00 2.30 2.31 0.00 78 K 7.84 3.98 0.00 1.92 2.02 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 79 K 7.84 4.04 0.00 1.54 1.18 0.00 1.95 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.56 7.81 80 D 7.69 4.48 0.00 2.67 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 81 Y 7.88 4.97 0.00 3.06 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 82 V 7.79 5.06 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 0.85 0.00 0.00 0.97 0.00 0.00 83 V 8.92 4.50 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 0.75 0.00 0.00 0.94 0.00 0.00 84 R 8.51 5.17 0.00 1.75 1.84 0.00 3.11 0.00 0.00 3.56 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 85 T 9.28 4.64 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 86 R 8.75 4.02 0.00 1.62 1.84 0.00 3.30 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 *94 L 8.25 4.17 0.00 1.69 1.61 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 9.38 5.22 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 96 I 9.01 5.16 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 1.02 0.91 0.00 0.00 97 S 8.70 5.07 0.00 3.90 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 98 L 8.40 4.74 0.00 1.56 1.66 0.97 0.92 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 99 T 8.47 4.23 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 1.25 0.00 0.00 100 E 8.84 4.02 0.00 2.03 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 0.00 2.42 2.32 0.00 101 Q 8.17 4.17 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 102 G 8.38 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.32 4.21 0.00 1.98 2.02 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.72 7.81 104 A 8.07 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 4.30 1.98 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.73 1.18 0.00 0.00 106 K 7.70 3.89 0.00 1.71 1.85 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.66 1.59 7.81 107 S 8.02 4.11 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.28 0.00 2.41 2.42 0.00 3.71 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 2.23 2.17 0.00 109 L 8.13 3.87 0.00 1.65 1.83 0.67 0.08 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 0.00 110 A 8.17 4.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.15 3.97 0.00 2.21 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 2.33 2.49 0.00 112 I 7.53 3.26 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 1.21 0.62 0.66 0.00 0.00 113 S 7.88 4.73 0.00 4.36 4.31 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 0.00 114 V 7.79 3.65 2.25 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 1.03 0.00 0.00 0.97 0.00 0.00 115 K 7.61 3.74 0.00 1.06 1.37 0.00 1.16 0.00 0.00 1.16 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.46 7.81 116 V 7.86 3.52 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.08 0.00 0.00 117 F 8.50 4.56 0.00 3.23 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 0.00 118 N 7.98 4.41 0.00 3.21 3.00 0.00 0.00 7.20 6.96 0.00 0.00 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 7.76 4.00 0.00 1.86 1.69 0.00 0.00 0.00 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 2.56 0.00 120 F 7.20 4.29 0.00 3.27 2.98 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 0.00 121 N 8.57 4.72 0.00 2.69 2.81 0.00 0.00 6.71 7.94 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 0.00 122 I 7.85 4.76 1.95 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 1.49 1.01 1.08 0.00 0.00 123 S 9.26 4.56 0.00 4.08 4.01 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 0.00 124 E 8.54 3.93 0.00 2.03 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 2.41 2.38 0.00 125 R 7.93 3.87 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 126 E 8.33 3.94 0.00 2.29 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 2.33 2.33 0.00 127 A 8.30 3.95 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 0.00 128 S 8.30 4.05 0.00 4.01 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 0.00 129 D 8.15 4.35 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.66 3.66 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.80 0.00 0.00 131 I 7.93 3.66 1.98 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 1.44 0.63 0.89 0.00 0.00 132 N 8.51 4.36 0.00 2.86 2.87 0.00 0.00 7.10 6.49 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 0.00 133 N 8.22 4.33 0.00 2.99 2.88 0.00 0.00 7.06 6.12 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 0.00 134 L 8.11 4.24 0.00 1.75 1.83 0.93 0.84 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 0.00 135 R 8.52 3.95 0.00 1.94 2.05 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 136 N 8.23 4.25 0.00 3.04 3.07 0.00 0.00 6.84 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.38 4.11 0.00 3.24 3.30 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 0.00 138 V 8.39 3.63 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 1.01 0.00 0.00 1.17 0.00 0.00 139 S 8.23 4.18 0.00 3.83 3.90 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 0.00 0.00 0.00 140 K 7.69 4.18 0.00 1.55 1.71 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.61 7.81 141 N 7.07 4.33 0.00 1.44 1.42 0.00 0.00 6.71 7.33 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 0.00 142 F 7.55 4.64 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.