NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2511 8.1576 121.7839 56.0752 34.2553 177.6696 3 P 3.8825 0.0000 0.0000 65.7114 31.2322 176.9828 4 L 3.9397 8.0127 119.2874 56.4726 41.9523 180.3685 5 K 3.8767 7.5335 119.7638 59.5893 32.0774 178.6246 6 E 3.9513 7.8892 118.7898 58.9485 29.3842 179.3842 7 V 3.3332 7.4885 117.8813 66.0143 31.6422 178.1888 8 V 3.7208 7.9812 118.2103 65.7700 31.3450 178.0540 9 G 3.6622 8.2337 105.3699 47.8477 0.0000 175.5363 10 A 4.1069 8.1138 123.2708 55.0803 18.3692 179.2740 11 Y 4.1019 8.2610 115.3267 61.4471 37.9856 179.0705 12 L 4.1000 8.5424 119.8967 57.5555 41.6720 179.4227 13 A 4.0351 8.1480 120.9829 55.1050 18.3157 179.4945 14 L 3.9239 8.1503 118.9047 58.3209 42.1691 179.3047 15 S 4.1693 8.3924 115.3011 61.6588 62.7902 176.3503 16 D 4.3489 8.3498 121.3421 57.3617 40.5820 178.6720 17 A 4.2726 7.9226 122.4780 54.8355 18.2593 179.7071 18 Q 3.9808 8.3015 116.5305 59.2279 28.7677 179.3402 19 R 3.9677 8.0584 119.1142 59.2914 29.7980 179.1330 20 Q 4.0049 8.2747 117.9666 58.6869 28.7061 178.7221 21 L 4.1433 8.1327 120.2143 57.8979 41.4997 179.6337 22 V 3.6129 7.3617 116.7570 65.8676 31.5621 177.2572 23 A 4.2320 7.7168 117.8689 52.2698 18.5029 178.1857 24 G 3.1327 7.3853 105.1131 46.0312 0.0000 175.6887 25 E 4.1933 7.6007 121.8420 55.1051 26.3089 176.4965 26 Y 4.3798 7.2540 120.3087 60.8891 38.5704 177.4693 27 D 4.4006 8.1693 119.4779 57.6148 40.9660 178.6541 28 E 3.9977 8.1608 118.2362 59.2055 29.5789 179.0365 29 A 4.0971 8.1927 120.6707 55.0969 18.4927 179.5312 30 A 3.9441 8.3331 119.1693 55.2519 18.4290 179.6708 31 A 3.9458 7.8381 118.7969 55.5767 18.4194 179.7147 32 N 4.3320 8.4509 115.0173 56.4116 38.3070 177.6066 33 C 4.1124 7.9865 117.6450 62.8806 28.3196 175.9838 34 R 4.0611 7.7066 118.4000 59.2203 29.9564 178.7827 35 R 4.0942 8.3197 118.4892 59.1512 30.0222 178.7368 36 A 4.0086 8.0612 116.8804 53.1149 17.6698 178.4873 *38 E 4.2553 8.0948 122.9162 57.7227 31.7097 178.2244 39 I 3.6450 7.9502 119.6001 64.2978 37.3340 178.5274 40 S 3.6927 7.9199 113.8785 61.3826 62.6976 174.7724 41 H 4.6094 7.5709 115.4458 56.2808 28.9237 176.3326 42 T 4.1949 7.3078 113.0678 59.2937 67.2712 172.2813 *44 P 4.2146 0.0000 0.0000 62.2669 32.9515 176.8544 45 P 4.2117 0.0000 0.0000 66.5055 31.3219 177.8318 46 E 4.1817 8.1020 112.1725 56.4026 29.8523 179.1998 47 E 4.4025 7.6969 120.1182 55.1713 30.5134 175.5160 48 A 4.1102 8.5914 129.7112 52.5670 18.8260 176.2484 49 F 4.5134 8.2317 121.9371 56.4988 42.2902 174.4761 50 D 4.4975 7.1271 127.2728 53.1299 39.0690 176.3694 51 H 4.2950 8.3427 121.4528 58.1977 29.2922 176.5981 52 A 3.9522 8.0114 122.1602 55.1331 18.3131 179.8250 53 G 2.6176 7.7165 103.8730 47.4380 0.0000 175.6963 54 F 3.5538 7.8683 123.4743 60.9538 39.3138 176.9696 55 D 4.2863 8.4123 118.6076 57.1512 40.5659 178.6379 56 A 3.8540 7.4634 121.1162 55.1058 18.2769 179.7249 57 F 4.2653 8.1747 116.3202 60.9196 38.8777 177.7397 58 C 4.0029 7.8482 116.3058 63.1789 27.8294 175.9575 59 H 4.3066 8.7436 119.1814 58.0217 28.1975 177.8179 60 A 4.1752 8.3737 122.8700 55.2001 18.3206 179.8768 61 G 3.5861 8.0968 104.2976 47.9052 0.0000 175.5990 62 L 3.9793 8.3758 123.0801 57.7727 42.0904 178.9076 63 A 3.9818 8.3103 120.9608 55.1019 18.3294 179.2064 64 E 3.8476 8.2886 117.6409 59.2796 29.7145 178.9501 65 A 3.8943 8.0216 120.7507 55.2771 18.4632 179.6817 66 L 3.8654 8.1657 117.5104 57.6830 41.6081 179.6703 67 A 3.9615 8.1288 121.0792 55.0243 18.0976 179.8616 68 G 2.7591 7.3437 103.1619 47.4279 0.0000 175.1385 69 L 4.2038 7.3232 118.2329 54.1824 41.9285 177.1379 70 R 2.5100 7.1054 116.8502 57.2569 28.3733 177.9688 71 S 4.3602 7.2580 113.1937 57.1482 59.3201 173.4495 72 F 4.4093 7.4954 124.6717 59.9654 39.0986 176.5119 73 D 4.3690 8.1426 117.3838 57.5990 41.1989 178.0832 74 E 4.0226 8.2094 118.3526 59.1432 29.3892 179.0533 75 A 3.9737 7.9855 120.8721 55.0156 18.4764 179.2883 76 L 3.8788 8.1982 119.0437 58.8609 42.2841 179.0417 77 H 4.1222 8.0680 116.0008 58.7543 28.6150 177.8534 78 S 4.1397 8.2337 114.9172 61.2615 62.1837 176.0207 79 A 4.1790 8.3394 123.8123 55.3369 18.1469 179.2982 80 D 4.3393 8.2857 117.4036 57.5550 40.5459 179.2576 81 K 3.9583 8.0174 118.3246 59.1777 31.9451 179.3794 82 A 4.0729 7.9737 120.8674 55.1979 18.3186 179.7698 83 L 4.2264 8.4651 117.8015 57.9852 40.0683 179.0907 84 H 4.0747 8.3904 118.5872 59.1993 29.6685 176.7445 85 Y 3.8838 7.4446 121.5182 60.6855 38.7386 177.5267 86 F 3.7636 7.6813 118.6133 60.3828 38.5592 177.4768 87 N 4.5029 8.2500 118.0198 56.2866 38.3109 177.9765 88 R 4.1685 6.9040 119.9402 60.2661 29.9197 181.6521 89 R 4.5528 7.2853 115.9069 55.2614 30.7227 176.5248 90 G 3.4178 7.3112 107.3084 44.9739 0.0000 174.0652 91 E 4.7181 9.2666 121.3693 53.9704 31.4603 176.7523 92 L 4.0718 8.9547 127.2498 58.0313 42.3679 177.8143 93 N 4.8800 8.1825 113.4473 53.1363 38.5875 174.1266 94 Q 4.7710 7.5964 118.0523 53.5890 32.0515 176.2080 95 D 4.3833 8.8098 118.4133 57.8908 41.3652 178.8773 96 E 3.9063 8.6939 118.9594 59.6994 29.3928 179.0930 97 G 4.0204 8.3990 106.9983 47.1613 0.0000 175.7236 98 K 3.9551 8.0868 120.5593 59.3812 32.0602 179.3776 99 L 3.9862 7.6712 118.7549 56.8932 41.4500 179.2894 100 W 3.1545 7.3725 128.0294 60.2720 30.6595 177.7713 101 I 3.5446 7.6676 119.6848 64.3848 36.4778 178.2345 102 S 4.1274 8.0162 113.5898 61.5297 62.2360 176.1730 103 A 4.1242 8.1754 123.3332 55.1833 18.1312 179.8203 104 V 3.6024 7.9651 116.8868 66.1705 31.5676 177.7122 105 Y 4.0759 8.2674 119.3975 60.8529 38.6034 178.0139 106 S 3.9951 8.5621 116.5502 61.6067 62.8390 176.7282 107 R 3.7879 8.1037 121.0639 59.2063 29.8101 178.4307 108 A 3.4769 7.6524 120.4843 54.9973 18.1298 179.6090 109 L 3.8286 7.5284 117.2740 57.6599 41.5958 179.7469 110 A 3.9793 8.1336 120.9226 55.2069 18.3396 179.6170 111 L 3.8384 7.9123 117.7591 57.9238 41.6451 179.3858 112 D 4.3134 8.0878 118.0387 57.3174 41.0106 178.5955 113 G 2.4343 7.4093 105.0908 46.7389 0.0000 174.6362 114 L 4.4370 7.3910 118.7040 54.2601 41.8719 177.4664 115 G 3.8270 7.6824 107.1371 46.0896 0.0000 175.4413 116 R 4.4531 7.8259 120.1604 54.5834 28.8671 177.6669 117 G 3.5990 7.8190 108.0063 48.3586 0.0000 173.3381 118 A 4.1171 8.0580 121.9770 54.7952 18.5189 178.1471 119 E 4.2334 8.0891 114.2824 58.3718 30.4088 178.4020 120 A 4.3156 7.6689 121.8552 51.5804 17.9226 177.4406 *122 P 4.3987 0.0000 0.0000 64.3954 33.5810 178.5931 123 E 3.9428 7.6924 118.7701 59.2332 29.1115 179.1775 124 F 4.3326 8.2480 117.9713 60.3746 38.9103 177.6264 125 K 3.9967 8.1509 118.9391 59.3932 31.8680 178.6145 126 K 4.0347 7.8579 118.9936 59.3174 32.1184 178.6382 127 V 3.6790 7.5767 117.8816 65.9821 31.7917 177.9047 128 V 3.7760 7.5612 118.0385 65.8871 31.3053 178.6054 129 E 3.7512 8.0723 115.3396 57.1218 28.1531 178.8763 *131 I 4.0047 7.7257 122.0574 61.5549 39.2749 178.0108 132 E 3.9265 8.1080 118.5754 59.4521 29.4420 178.0556 133 E 3.9285 8.0881 118.2261 58.8736 29.7872 177.3615 134 R 4.0342 7.3275 122.3439 56.6539 30.3082 176.2513 135 K 4.2404 8.7222 128.1182 53.8868 32.4980 172.3950 136 G 4.2230 9.0941 113.2702 42.9271 0.0000 174.0940 137 E 4.0339 8.6665 117.4482 56.4612 30.2127 178.4486 138 T 4.5279 8.0573 119.5972 59.2681 69.2266 170.6682 139 P 4.2237 0.0000 0.0000 64.0916 32.1962 177.0253 140 G 3.9167 8.9409 109.6035 45.5001 0.0000 175.3244 141 K 3.8792 7.6613 120.0046 59.6520 32.7916 178.5060 142 E 3.9867 8.1327 118.1955 59.2441 30.3504 177.5739 143 R 4.0756 7.2390 119.1783 56.5926 28.4586 176.0075 *146 E 4.2042 7.9528 122.7049 56.1997 32.1975 177.6386 147 V 3.5386 7.8454 117.3395 65.8819 31.5683 177.6683 148 A 3.4608 8.0514 119.9663 55.2887 18.1352 179.3550 149 I 3.6433 7.5858 116.4692 64.1324 38.1577 177.6858 150 D 4.2870 8.1105 119.9022 57.3218 40.6346 178.9902 151 R 3.7618 7.8504 118.6829 59.2139 29.8628 179.0170 152 I 3.7237 7.5848 119.3586 64.3199 36.8877 178.3998 153 A 3.9821 7.7344 121.4833 55.2149 18.1015 179.7624 154 Q 3.9304 7.8710 115.4373 59.0740 28.8362 178.6687 155 L 4.2296 8.2468 119.7804 57.6242 41.7334 179.5208 156 G 3.6899 7.8939 104.5493 46.4180 0.0000 173.3840 157 A 4.3435 7.4555 128.2381 52.1786 19.2523 176.0314 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.16 4.25 0.00 1.88 1.84 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.01 7.81 3 P 0.00 3.88 0.00 2.34 2.25 0.00 3.72 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 2.04 2.09 0.00 4 L 8.01 3.94 0.00 1.72 1.72 0.89 0.81 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 5 K 7.53 3.88 0.00 1.64 1.89 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 6 E 7.89 3.95 0.00 2.03 1.82 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 2.26 2.31 0.00 7 V 7.49 3.33 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 1.00 0.00 0.00 0.81 0.00 0.00 8 V 7.98 3.72 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 1.06 0.00 0.00 0.92 0.00 0.00 9 G 8.23 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 10 A 8.11 4.11 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 11 Y 8.26 4.10 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.54 4.10 0.00 1.75 1.78 0.96 1.06 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 13 A 8.15 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.15 3.92 0.00 1.76 1.82 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.39 4.17 0.00 3.98 3.96 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 0.00 0.00 0.00 0.00 16 D 8.35 4.35 0.00 2.90 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 17 A 7.92 4.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.30 3.98 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 19 R 8.06 3.97 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 20 Q 8.27 4.00 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 21 L 8.13 4.14 0.00 1.92 1.99 1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.36 3.61 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 0.81 0.00 0.00 0.95 0.00 0.00 23 A 7.72 4.23 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 24 G 7.39 3.13 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 0.00 0.00 0.00 25 E 7.60 4.19 0.00 1.94 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 2.21 2.24 0.00 26 Y 7.25 4.38 0.00 3.02 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 27 D 8.17 4.40 0.00 2.70 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 28 E 8.16 4.00 0.00 2.18 2.11 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 2.39 2.44 0.00 29 A 8.19 4.10 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.33 3.94 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 31 A 7.84 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.45 4.33 0.00 2.76 3.10 0.00 0.00 7.08 7.49 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 33 C 7.99 4.11 0.00 3.11 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 34 R 7.71 4.06 0.00 1.96 2.00 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 35 R 8.32 4.09 0.00 2.00 2.09 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 36 A 8.06 4.01 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 *38 E 8.09 4.26 0.00 2.18 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 0.00 2.29 2.36 0.00 39 I 7.95 3.64 2.01 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 1.35 0.52 0.92 0.00 0.00 40 S 7.92 3.69 0.00 3.58 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 41 H 7.57 4.61 0.00 2.98 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.31 4.19 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 1.29 0.00 0.00 *44 P 0.00 4.21 0.00 2.25 2.24 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 45 P 0.00 4.21 0.00 2.20 2.21 0.00 3.75 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 1.98 1.95 0.00 46 E 8.10 4.18 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 47 E 7.70 4.40 0.00 2.10 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 0.00 2.26 2.11 0.00 48 A 8.59 4.11 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 49 F 8.23 4.51 0.00 2.80 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 50 D 7.13 4.50 0.00 2.60 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 0.00 0.00 0.00 51 H 8.34 4.30 0.00 3.35 3.44 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.01 3.95 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 53 G 7.72 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 0.00 0.00 0.00 54 F 7.87 3.55 0.00 2.77 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.29 0.00 2.73 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 56 A 7.46 3.85 0.71 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 0.00 0.00 57 F 8.17 4.27 0.00 2.83 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 58 C 7.85 4.00 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.74 4.31 0.00 3.42 3.58 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.37 4.18 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.10 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 0.00 0.00 0.00 62 L 8.38 3.98 0.00 1.84 1.89 0.93 0.96 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 63 A 8.31 3.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.29 3.85 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 2.35 2.39 0.00 65 A 8.02 3.89 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 66 L 8.17 3.87 0.00 1.65 1.84 0.93 1.07 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 67 A 8.13 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.34 2.76 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 0.00 0.00 0.00 69 L 7.32 4.20 0.00 1.65 1.65 0.96 1.13 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 70 R 7.11 2.51 0.00 1.75 1.65 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 71 S 7.26 4.36 0.00 3.75 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.50 4.41 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.14 4.37 0.00 2.84 2.70 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 74 E 8.21 4.02 0.00 2.05 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 2.40 2.38 0.00 75 A 7.99 3.97 1.48 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 0.00 0.00 76 L 8.20 3.88 0.00 1.88 1.89 0.88 1.31 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 77 H 8.07 4.12 0.00 3.18 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.23 4.14 0.00 3.97 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 79 A 8.34 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.29 4.34 0.00 2.83 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 81 K 8.02 3.96 0.00 1.68 1.53 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.56 7.81 82 A 7.97 4.07 1.63 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 0.00 0.00 83 L 8.47 4.23 0.00 1.79 1.87 1.02 1.36 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 84 H 8.39 4.07 0.00 3.37 3.47 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.44 3.88 0.00 3.01 2.68 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 86 F 7.68 3.76 0.00 2.47 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 87 N 8.25 4.50 0.00 2.71 2.91 0.00 0.00 6.90 8.52 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 88 R 6.90 4.17 0.00 1.90 1.83 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 89 R 7.29 4.55 0.00 0.76 1.60 0.00 3.12 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.00 90 G 7.31 3.42 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 0.00 91 E 9.27 4.72 0.00 2.22 1.96 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 0.00 2.28 2.25 0.00 92 L 8.95 4.07 0.00 1.65 1.67 0.58 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.18 4.88 0.00 2.78 2.83 0.00 0.00 6.73 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 94 Q 7.60 4.77 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 95 D 8.81 4.38 0.00 2.84 2.76 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 96 E 8.69 3.91 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 3.01 0.00 97 G 8.40 4.02 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 0.00 0.00 0.00 98 K 8.09 3.96 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 L 7.67 3.99 0.00 1.59 1.64 0.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 W 7.37 3.15 0.00 2.61 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 0.00 101 I 7.67 3.54 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.34 0.81 0.00 0.00 102 S 8.02 4.13 0.00 3.98 4.06 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 0.00 103 A 8.18 4.12 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.97 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.10 0.00 0.00 105 Y 8.27 4.08 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.56 4.00 0.00 4.05 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 0.00 107 R 8.10 3.79 0.00 1.97 2.04 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 108 A 7.65 3.48 0.05 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 0.00 0.00 109 L 7.53 3.83 0.00 1.71 1.69 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.13 3.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.84 0.00 1.69 1.81 0.83 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.09 4.31 0.00 2.99 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 0.00 113 G 7.41 2.43 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 0.00 114 L 7.39 4.44 0.00 1.72 1.69 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.68 3.83 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 0.00 0.00 0.00 116 R 7.83 4.45 0.00 1.97 1.85 0.00 3.12 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 117 G 7.82 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.06 4.12 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 0.00 119 E 8.09 4.23 0.00 2.01 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 2.35 2.28 0.00 120 A 7.67 4.32 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 0.00 0.00 0.00 0.00 0.00 *122 P 0.00 4.40 0.00 2.25 2.37 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 123 E 7.69 3.94 0.00 1.89 1.82 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 2.26 2.38 0.00 124 F 8.25 4.33 0.00 3.10 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 0.00 125 K 8.15 4.00 0.00 1.87 2.00 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 126 K 7.86 4.03 0.00 1.89 2.01 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.41 1.39 7.81 127 V 7.58 3.68 2.38 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 0.87 0.00 0.00 1.07 0.00 0.00 128 V 7.56 3.78 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 129 E 8.07 3.75 0.00 2.13 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 2.30 2.48 0.00 *131 I 7.73 4.00 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 0.85 0.00 0.00 132 E 8.11 3.93 0.00 2.11 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 2.31 2.38 0.00 133 E 8.09 3.93 0.00 2.01 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 0.00 2.26 2.20 0.00 134 R 7.33 4.03 0.00 1.90 1.76 0.00 3.22 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 135 K 8.72 4.24 0.00 1.83 1.59 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.25 7.81 136 G 9.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.67 4.03 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 138 T 8.06 4.53 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 139 P 0.00 4.22 0.00 2.01 1.99 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 140 G 8.94 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 0.00 0.00 0.00 141 K 7.66 3.88 0.00 1.78 2.01 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.37 7.81 142 E 8.13 3.99 0.00 1.93 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 2.29 2.33 0.00 143 R 7.24 4.08 0.00 1.96 1.99 0.00 3.14 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 *146 E 7.95 4.20 0.00 2.05 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 2.27 2.29 0.00 147 V 7.85 3.54 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 1.10 0.00 0.00 1.08 0.00 0.00 148 A 8.05 3.46 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.59 3.64 1.84 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 1.61 1.16 0.89 0.00 0.00 150 D 8.11 4.29 0.00 2.69 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 0.00 151 R 7.85 3.76 0.00 0.96 1.53 0.00 3.32 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.00 152 I 7.58 3.72 1.81 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 0.90 0.00 0.00 153 A 7.73 3.98 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 0.00 154 Q 7.87 3.93 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 155 L 8.25 4.23 0.00 1.62 1.73 0.98 0.89 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 0.00 156 G 7.89 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 0.00 157 A 7.46 4.34 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.