NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.5456 8.3101 120.0251 56.5089 34.3038 176.0350 8 A 4.1100 8.2993 123.3583 51.2159 15.7397 176.7059 9 A 4.3978 6.9543 118.1233 51.3242 21.7954 175.9169 10 G 4.3300 8.1800 105.9452 47.1744 0.0000 175.4322 11 D 4.3004 9.2929 130.3485 55.0569 38.3171 176.1826 12 A 3.9438 8.8819 125.1838 52.2228 19.5427 178.1679 13 E 4.0327 8.7671 124.6726 55.8571 29.6180 175.2794 14 A 5.0490 8.5050 128.9327 50.5415 21.4250 175.1245 15 I 4.8983 8.9574 123.6759 59.7909 39.5908 174.8687 16 A 5.2058 8.8733 128.5072 50.8951 20.7057 176.5321 17 F 4.7960 9.5789 120.0866 55.6691 42.0564 175.6183 18 D 4.6277 8.9092 122.4400 52.8747 39.9681 176.5553 19 G 4.1598 8.4302 109.3911 45.7965 0.0000 175.4251 20 R 4.6106 8.3714 116.0990 56.1745 31.5622 176.3351 21 T 4.2898 8.1430 116.0381 63.3750 69.0150 173.3645 22 Y 5.5674 8.2874 123.4884 56.2569 41.0614 173.8194 23 M 4.8319 9.6049 122.2619 53.5839 35.2820 174.2183 24 E 4.0353 8.7632 123.9893 54.5334 31.8703 174.2716 25 Y 5.0716 8.8470 122.9534 56.4746 42.9897 173.4639 26 H 5.1912 8.6887 119.7226 53.9482 32.8036 172.7695 27 N 4.6084 8.4348 124.2005 53.3259 34.8369 174.1937 28 A 4.5982 8.1275 124.4084 52.4705 19.9327 177.2268 29 V 4.3938 7.4697 116.1234 61.6882 34.3372 175.3213 30 T 4.3056 7.8790 120.8018 63.3749 69.4097 175.2148 31 K 4.5157 8.3972 121.8746 57.7198 30.0962 175.6025 32 S 3.9536 8.8921 121.3846 60.9368 63.0378 174.4112 *40 A 3.9753 7.5526 121.3077 52.2154 18.8280 173.6552 41 E 4.5491 8.6862 125.6020 53.7292 29.8291 176.4087 42 P 4.9133 0.0000 0.0000 61.6236 32.9344 179.3353 43 S 3.4042 8.6973 111.6621 58.7363 62.0287 173.0555 44 E 4.8004 8.2781 118.6127 55.6188 32.2271 172.5098 45 K 4.6780 9.1259 119.4787 54.5903 36.1871 175.9631 46 A 4.9496 8.5377 125.6314 50.0919 19.0761 174.2187 47 L 4.1462 8.8242 120.9170 54.6397 42.6666 178.1315 48 Q 4.1441 8.8905 123.3737 58.4913 29.9619 175.7872 49 S 5.0343 7.6938 111.0285 57.1594 66.6831 173.2128 50 N 5.0333 8.9095 116.3901 52.0109 43.2113 173.6348 51 H 5.0692 8.9056 119.0185 54.0804 33.0657 172.4332 52 F 5.5319 9.5648 121.5516 55.8441 42.9975 173.9389 53 E 5.3570 9.1217 121.5491 54.9047 34.1034 174.3495 54 L 5.2296 8.1448 121.5197 56.3332 44.5888 173.2121 55 S 5.5482 8.7742 115.5446 56.8258 66.2818 173.5603 56 I 5.4939 9.0583 116.2822 59.2391 41.7453 174.0387 57 K 4.4674 8.5615 123.4833 55.0998 35.1801 174.8716 58 T 4.5495 8.1104 119.5397 61.6955 70.6196 173.1665 59 E 4.4724 8.5956 122.6746 55.7340 30.7948 176.5045 60 A 4.0970 7.9515 123.5226 52.3369 18.9572 177.7736 61 T 4.4020 8.3498 110.4570 61.6867 70.1379 174.3599 62 Q 4.8848 7.7080 120.7520 53.5559 32.8988 174.4171 63 G 4.3231 7.9896 114.8590 45.1793 0.0000 171.3267 64 L 4.2431 8.6134 126.2828 54.8094 42.3582 176.4101 65 I 3.7074 8.6512 127.7642 63.2952 38.4154 175.6738 66 L 5.1066 7.4603 122.2110 53.4552 45.8631 173.7738 67 W 5.1572 9.5683 135.0000 55.7822 34.2135 173.4165 68 S 5.3082 10.1831 123.0818 55.9193 63.2198 173.7134 69 G 4.6743 8.4296 117.4246 44.6217 0.0000 172.8775 70 K 4.2817 8.4065 120.9228 57.7264 32.2976 177.8936 71 G 3.9403 8.0558 102.6896 45.6600 0.0000 173.1040 72 L 4.6137 7.6214 119.1138 52.7125 43.3520 177.5592 73 E 3.9624 8.7876 120.2917 59.5692 29.4034 178.8222 74 R 4.2775 7.8667 112.4011 57.1425 30.3085 176.9243 75 S 4.4285 7.8941 115.6982 58.3928 63.4077 173.7568 76 D 4.9218 8.5322 123.4541 55.1839 41.7073 174.8579 77 Y 4.9256 7.7382 116.1698 56.3994 41.7991 173.1322 78 I 5.0938 8.3749 120.0633 59.4522 41.6971 173.8141 79 A 5.0388 9.2454 129.7327 50.3568 23.2938 174.4510 80 L 5.3193 8.7082 119.3534 53.0443 44.7016 175.7346 81 A 4.8325 8.6607 123.3560 50.6648 23.4891 174.9605 82 I 4.5545 8.9399 121.4097 60.1717 39.0303 175.2705 83 V 4.4901 8.6891 127.7917 61.1924 34.1699 175.2964 84 D 4.8136 10.1358 129.1289 55.4886 38.6848 174.8334 85 G 3.7611 8.8115 106.2637 45.0337 0.0000 173.3972 86 F 5.0852 7.8600 117.5909 55.1684 43.1588 174.6737 87 V 4.3973 8.5327 122.8465 63.1097 32.7930 174.6570 88 Q 5.0175 9.3111 124.6706 54.8093 32.5891 173.1869 89 M 5.2280 9.0403 120.8544 54.2701 35.0567 174.2626 90 M 5.6760 9.2706 124.1319 53.1752 36.4026 173.2592 91 Y 4.9119 7.7464 121.9361 55.4857 42.3786 173.0793 92 D 4.4479 7.7655 120.3656 52.6772 43.9990 175.6790 93 L 4.4501 8.6204 124.6536 54.1476 42.3602 176.6505 94 G 4.1148 8.0124 106.5649 45.7146 0.0000 174.6015 95 S 4.6182 7.7978 114.5278 57.8551 64.3295 174.5810 96 K 4.3656 8.4841 115.5642 56.1202 30.7879 174.6732 97 P 5.3609 0.0000 0.0000 61.9160 32.6071 175.8873 98 V 4.4180 7.6905 119.6464 59.8376 35.0426 174.3545 99 V 4.7853 8.1884 121.1401 61.0994 34.2685 174.3774 100 L 4.6930 9.0678 127.9006 52.9603 44.1749 175.1679 101 R 4.8098 8.4144 124.5213 54.2460 31.8293 175.5617 102 S 4.4978 8.9872 121.8957 58.5790 63.2129 173.8578 103 T 4.1376 9.0584 113.2319 61.2007 69.0528 174.3902 104 V 4.2635 7.8247 123.1657 60.6360 32.0586 173.7549 105 P 3.7359 0.0000 0.0000 63.0403 31.4257 176.1667 106 I 4.0648 7.7395 123.3143 62.1602 38.5638 175.0607 107 N 4.8688 7.7000 117.6562 53.3372 37.4815 175.6194 108 T 3.9978 7.7722 107.9008 62.3697 69.7264 173.9414 109 N 4.1362 8.0155 119.5289 54.9908 37.9241 172.8287 110 H 5.1072 7.3942 110.7356 52.6722 32.0560 174.0330 111 W 4.5663 8.9133 121.7148 57.8254 29.6494 175.6597 112 T 4.8049 9.3600 121.1961 61.9995 72.0389 172.7986 113 H 5.1077 8.9833 125.7351 55.8558 31.8819 173.7088 114 I 5.0179 8.6662 125.1594 59.3369 41.0072 174.1855 115 K 5.0126 9.3317 127.8411 54.5850 35.1431 174.5930 116 A 5.3506 9.4991 129.5133 50.4633 22.4052 174.2033 117 Y 5.1803 8.6808 119.5773 55.6153 42.4245 173.9717 118 R 4.8880 9.0454 120.0590 54.6689 34.0877 173.8775 119 V 4.4675 8.7518 125.9092 60.5992 34.1567 175.9583 120 Q 3.9905 9.1387 129.7238 56.6771 28.3536 177.7059 121 R 4.2762 8.5910 127.9731 58.6966 30.5816 175.2860 122 E 4.8857 7.7087 119.2623 55.0305 30.8866 176.1272 123 G 4.5553 9.3885 111.2289 43.6602 0.0000 171.7430 124 S 5.0068 8.5645 114.9823 56.3026 66.3821 172.5405 125 L 5.0790 9.0036 128.2537 53.3860 45.5098 174.7368 126 Q 4.7243 9.4239 127.1825 54.5640 32.3701 173.4455 127 V 4.5946 9.4183 127.6566 61.3776 33.5187 175.4922 128 G 3.7880 9.0830 116.5592 47.6106 0.0000 173.9877 129 N 5.0829 8.7384 121.6782 52.6511 38.9043 174.6250 130 E 4.1461 7.7788 115.9518 55.6537 30.2386 176.5477 131 A 4.0900 8.3444 123.3069 51.5200 18.9457 175.8831 132 P 4.5372 0.0000 0.0000 63.2923 32.2892 175.8812 133 I 4.3507 9.0043 125.2159 60.6882 38.4285 175.1323 134 T 5.3573 7.7965 116.0667 58.7403 72.2269 172.9074 135 G 4.0669 7.6815 108.6827 46.5276 0.0000 171.8318 136 S 6.0656 7.9716 114.6534 55.2506 67.1513 174.4319 137 S 4.3961 8.7699 117.5445 57.2069 63.9244 172.2308 138 P 4.3097 0.0000 0.0000 62.2082 31.6906 176.3154 139 L 4.0085 8.4811 122.7473 55.3712 44.0259 171.8062 140 G 3.9524 9.2061 116.3212 44.3886 0.0000 175.8744 141 A 4.1983 5.8000 123.0661 52.3323 19.5796 178.9650 142 T 4.6153 8.4316 108.8067 60.7604 70.4487 173.1741 143 Q 5.0158 7.9131 120.6337 54.0393 31.9805 174.8690 144 L 4.4995 8.6632 125.7028 53.9025 43.2999 175.2110 145 D 5.2216 9.2964 128.5470 54.1172 41.3397 176.0550 146 T 4.8746 8.9737 118.0500 60.8888 71.2347 173.8645 147 D 4.5683 8.9450 123.3106 53.7925 40.3721 177.3444 148 G 3.8654 8.5417 109.3070 44.7068 0.0000 173.1734 149 A 4.6513 8.6149 122.7619 51.9758 19.8732 176.7332 150 L 5.3213 8.7579 122.5721 53.3249 45.9872 174.9882 151 W 5.5337 9.8141 125.9117 54.8770 32.7915 174.1203 152 L 5.1046 9.5746 125.9675 54.5564 44.3109 177.5488 153 G 4.0109 9.5394 114.3376 44.7606 0.0000 173.3777 154 G 3.9625 7.1929 105.1919 46.3216 0.0000 171.1847 155 M 4.0661 7.2291 116.9634 53.5305 35.2570 174.9887 156 E 3.2305 6.7581 125.8589 58.8321 29.9018 177.8991 157 R 4.1088 6.8514 122.5123 54.7458 29.0601 176.0240 158 L 3.8976 7.8481 123.6540 56.4355 42.4923 178.7550 159 S 3.5843 7.9559 113.3820 61.1471 63.1787 175.1510 160 V 3.7506 7.1310 120.7781 60.7004 30.1311 175.4077 161 A 4.3778 6.8943 120.1538 53.0729 23.3286 178.2932 162 H 4.3200 8.1759 114.3427 58.2960 28.8078 176.6254 163 K 4.2716 7.9408 115.7669 57.1230 32.8658 175.8921 164 L 4.7775 7.3389 118.9250 51.8030 45.2242 174.3067 165 P 4.4665 0.0000 0.0000 62.9371 31.9340 177.9114 166 K 3.9443 8.9005 120.0248 59.7383 31.8183 179.2018 167 A 3.9483 8.1950 120.5551 55.5153 17.9583 178.8666 168 Y 4.1388 8.2216 113.6183 59.9784 37.9745 177.4549 169 S 4.6941 7.9006 114.5687 57.2734 63.6863 173.2319 170 T 4.5155 7.3093 120.5937 61.3610 70.2889 174.4116 171 G 4.5562 8.6441 114.2332 45.5843 0.0000 172.8628 172 F 4.5485 9.1788 127.5471 58.1565 40.2170 174.3843 173 I 4.2827 8.8266 126.2340 59.1558 39.2435 175.9228 174 G 3.4578 6.6472 115.4516 45.7009 0.0000 169.7894 175 C 6.0037 8.5029 117.3173 55.4567 45.7671 173.5502 176 I 5.7552 9.3444 121.5021 60.0331 41.2917 174.6228 177 R 4.8275 9.2599 120.6245 54.7212 33.5366 173.9345 178 D 4.4949 8.3165 117.1816 55.4028 38.3798 173.9539 179 V 4.5032 7.2908 118.6753 62.2427 33.6841 175.3410 180 I 4.8773 9.2210 129.3855 59.5307 40.0106 174.6422 181 V 4.6026 8.7082 127.8356 61.2043 33.7166 175.4488 182 D 4.4045 9.4699 130.3677 55.6534 38.6899 174.8328 183 R 3.9915 8.0521 113.5141 56.1472 28.2929 176.3592 184 Q 4.5148 7.7734 119.8513 53.6209 31.2594 174.1189 185 E 4.3794 8.6627 126.4511 55.8512 30.3109 175.8059 186 L 4.1022 8.8125 128.9312 55.0263 42.9165 176.6748 187 H 4.8419 9.0888 123.7559 53.8300 27.7273 175.5046 188 L 4.4544 8.5423 123.3423 57.1536 42.1452 179.5273 189 V 3.8237 8.0029 117.3142 66.0101 31.7935 177.8884 190 E 4.0784 8.1581 117.3751 59.1010 29.5731 177.9077 191 D 4.5617 8.8841 117.8586 55.8488 41.3469 176.8906 192 A 3.5402 7.3924 122.0306 52.2596 18.6194 177.2169 193 L 4.4619 8.0499 121.2360 54.6450 43.0617 177.1270 194 N 4.6842 7.8235 114.9560 51.7004 38.0193 174.6713 195 N 3.9725 8.0240 114.2357 54.6289 36.9693 171.3187 196 P 4.4108 0.0000 0.0000 62.2034 33.0663 176.7487 197 T 4.0736 8.0929 116.1415 63.0111 68.4444 174.6651 198 I 4.0717 8.1410 128.2863 60.3990 38.1898 175.3528 199 L 4.7863 8.0097 124.1820 53.2511 45.6715 175.4617 200 H 5.2124 8.6293 119.3395 54.2801 30.8479 175.7145 201 C 4.5816 8.8264 120.1744 57.2002 44.1256 173.3722 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 7 K 8.31 4.55 0.00 1.93 2.23 0.00 1.48 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.61 7.81 8 A 8.30 4.11 1.13 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 9 A 6.95 4.40 1.22 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 10 G 8.18 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 0.00 0.00 0.00 0.00 11 D 9.29 4.30 0.00 2.82 2.55 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 12 A 8.88 3.94 1.06 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 0.00 0.00 13 E 8.77 4.03 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 14 A 8.50 5.05 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.96 4.90 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.73 0.00 0.00 16 A 8.87 5.21 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 17 F 9.58 4.80 0.00 3.10 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 18 D 8.91 4.63 0.00 2.79 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 19 G 8.43 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 20 R 8.37 4.61 0.00 1.95 2.05 0.00 3.19 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 21 T 8.14 4.29 4.46 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 0.89 0.00 0.00 22 Y 8.29 5.57 0.00 3.34 3.03 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 0.00 0.00 0.00 23 M 9.60 4.83 0.00 1.57 2.34 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 24 E 8.76 4.04 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 25 Y 8.85 5.07 0.00 2.86 2.77 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 0.00 0.00 0.00 26 H 8.69 5.19 0.00 3.10 3.11 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.43 4.61 0.00 2.73 2.82 0.00 0.00 6.86 6.56 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 28 A 8.13 4.60 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 29 V 7.47 4.39 2.06 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 0.82 0.00 0.00 0.90 0.00 0.00 30 T 7.88 4.31 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 1.20 0.00 0.00 31 K 8.40 4.52 0.00 1.84 2.16 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.35 7.81 32 S 8.89 3.95 0.00 3.75 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 0.00 *40 A 7.55 3.98 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 41 E 8.69 4.55 0.00 2.00 2.26 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 2.14 2.23 0.00 42 P 0.00 4.91 0.00 2.19 1.10 0.00 4.02 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 1.88 1.91 0.00 43 S 8.70 3.40 0.00 3.99 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 44 E 8.28 4.80 0.00 1.99 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 2.16 2.33 0.00 45 K 9.13 4.68 0.00 1.74 1.63 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.51 7.81 46 A 8.54 4.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.82 4.15 0.00 1.58 1.73 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.89 4.14 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 49 S 7.69 5.03 0.00 3.91 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 50 N 8.91 5.03 0.00 2.40 2.12 0.00 0.00 7.18 7.67 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 51 H 8.91 5.07 0.00 2.88 3.04 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 9.56 5.53 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 53 E 9.12 5.36 0.00 1.92 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 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9.36 4.80 4.32 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 1.28 0.00 0.00 113 H 8.98 5.11 0.00 3.32 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.67 5.02 1.84 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 1.12 0.52 0.91 0.00 0.00 115 K 9.33 5.01 0.00 1.85 1.71 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 116 A 9.50 5.35 1.31 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 0.00 0.00 117 Y 8.68 5.18 0.00 2.58 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 0.00 118 R 9.05 4.89 0.00 1.37 1.43 0.00 2.49 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 0.00 119 V 8.75 4.47 2.14 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 0.93 0.00 0.00 1.00 0.00 0.00 120 Q 9.14 3.99 0.00 2.17 1.26 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 0.00 129 N 8.74 5.08 0.00 2.74 2.84 0.00 0.00 6.77 7.66 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 0.00 130 E 7.78 4.15 0.00 2.10 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 2.50 2.29 0.00 131 A 8.34 4.09 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 P 0.00 4.54 0.00 1.95 2.01 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 2.08 2.18 0.00 133 I 9.00 4.35 1.85 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 1.39 1.13 0.95 0.00 0.00 134 T 7.80 5.36 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 1.18 0.00 0.00 135 G 7.68 4.07 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 0.00 0.00 0.00 136 S 7.97 6.07 0.00 3.73 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 0.00 137 S 8.77 4.40 0.00 3.83 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 0.00 138 P 0.00 4.31 0.00 2.21 2.01 0.00 3.78 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 139 L 8.48 4.01 0.00 1.58 1.59 0.92 1.04 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 0.00 140 G 9.21 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 0.00 141 A 5.80 4.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.43 4.62 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 143 Q 7.91 5.02 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 144 L 8.66 4.50 0.00 1.63 1.52 0.88 1.55 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 0.00 145 D 9.30 5.22 0.00 2.68 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 0.00 146 T 8.97 4.87 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 1.24 0.00 0.00 147 D 8.95 4.57 0.00 2.90 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 0.00 148 G 8.54 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.61 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.76 5.32 0.00 1.86 1.57 1.12 0.81 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 0.00 151 W 9.81 5.53 0.00 3.47 3.46 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 0.00 152 L 9.57 5.10 0.00 2.03 1.93 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 153 G 9.54 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 0.00 0.00 0.00 154 G 7.19 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 0.00 0.00 0.00 155 M 7.23 4.07 0.00 1.39 1.50 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 156 E 6.76 3.23 0.00 1.16 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 2.09 2.23 0.00 157 R 6.85 4.11 0.00 1.54 1.69 0.00 3.29 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 1.45 1.42 0.00 158 L 7.85 3.90 0.00 1.47 1.56 0.76 0.65 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 0.00 159 S 7.96 3.58 0.00 3.76 3.98 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 0.00 160 V 7.13 3.75 1.66 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 0.79 0.00 0.00 0.87 0.00 0.00 161 A 6.89 4.38 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 0.00 162 H 8.18 4.32 0.00 3.12 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 K 7.94 4.27 0.00 1.86 1.91 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.42 7.81 164 L 7.34 4.78 0.00 1.67 1.23 0.63 0.83 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 0.00 165 P 0.00 4.47 0.00 2.48 2.12 0.00 3.59 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 2.35 2.22 0.00 166 K 8.90 3.94 0.00 1.79 1.89 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.48 7.81 167 A 8.19 3.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Y 8.22 4.14 0.00 3.13 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 0.00 169 S 7.90 4.69 0.00 3.81 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 0.00 170 T 7.31 4.52 4.37 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 1.26 0.00 0.00 171 G 8.64 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 F 9.18 4.55 0.00 3.13 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 0.00 173 I 8.83 4.28 1.64 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 1.29 0.84 0.76 0.00 0.00 174 G 6.65 3.46 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 0.00 175 C 8.50 6.00 0.00 2.57 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 0.00 176 I 9.34 5.76 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 0.00 1.13 0.80 1.01 0.00 0.00 177 R 9.26 4.83 0.00 1.71 1.87 0.00 2.22 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.34 0.00 178 D 8.32 4.49 0.00 2.85 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 0.00 179 V 7.29 4.50 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 0.96 0.00 0.00 0.95 0.00 0.00 180 I 9.22 4.88 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 1.27 0.97 0.89 0.00 0.00 181 V 8.71 4.60 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 1.01 0.00 0.00 1.03 0.00 0.00 182 D 9.47 4.40 0.00 2.70 2.58 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 0.00 0.00 0.00 0.00 183 R 8.05 3.99 0.00 1.92 2.07 0.00 3.03 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 184 Q 7.77 4.51 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 185 E 8.66 4.38 0.00 1.96 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 0.00 2.31 2.30 0.00 186 L 8.81 4.10 0.00 1.65 1.37 0.78 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 187 H 9.09 4.84 0.00 3.57 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.54 4.45 0.00 1.76 1.97 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 189 V 8.00 3.82 2.14 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 1.02 0.00 0.00 1.00 0.00 0.00 190 E 8.16 4.08 0.00 2.07 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 2.34 2.28 0.00 191 D 8.88 4.56 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 A 7.39 3.54 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 L 8.05 4.46 0.00 1.39 1.58 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 194 N 7.82 4.68 0.00 2.81 3.00 0.00 0.00 6.21 8.04 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 0.00 195 N 8.02 3.97 0.00 2.75 2.77 0.00 0.00 7.20 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 0.00 196 P 0.00 4.41 0.00 2.11 1.89 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 197 T 8.09 4.07 4.20 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 1.17 0.00 0.00 198 I 8.14 4.07 1.80 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 1.49 0.73 0.79 0.00 0.00 199 L 8.01 4.79 0.00 1.50 1.45 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 200 H 8.63 5.21 0.00 3.08 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 C 8.83 4.58 0.00 3.36 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 * Residues marked with a * may have inaccurate shift predictions.