NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5823 8.4244 118.1316 53.6537 39.5577 171.6887 3 L 4.1534 8.4830 126.4702 55.0997 41.1220 172.6743 4 P 4.5338 0.0000 0.0000 62.2108 33.1188 176.9443 5 T 4.2189 9.0805 114.3487 60.6284 71.0529 175.5640 6 A 3.9964 8.4722 122.1092 55.7049 18.2079 179.7486 7 Q 3.9085 7.9996 115.6943 59.2288 28.7596 178.8725 8 E 3.8744 8.0189 119.5568 59.2052 29.3472 179.5579 9 V 3.1330 8.1192 118.6544 65.9097 31.6534 177.8486 10 Q 4.0734 8.1900 117.9913 59.2086 28.5870 179.5747 11 G 3.5594 8.0759 106.4397 47.6294 0.0000 175.8647 12 L 3.9581 8.1076 121.7765 57.9557 41.5314 179.5940 13 M 4.1990 8.4129 118.6686 58.1513 31.9323 178.7441 14 A 4.0071 8.0066 121.0737 55.1024 18.5497 179.6687 15 R 3.8269 8.0449 117.3443 59.4368 30.0871 177.8474 16 Y 3.9704 8.1333 119.4735 60.9489 38.6767 178.2271 17 I 3.4130 7.5404 120.2465 64.4163 37.2052 177.9583 18 E 3.8603 7.8476 119.3487 59.2812 29.4696 178.9002 19 L 3.8644 8.1779 119.4038 57.6896 41.4174 179.6567 20 V 3.3409 7.4595 117.5903 65.7763 31.4590 177.1544 21 D 4.4237 8.0102 117.1615 57.5448 41.1872 178.3976 22 V 3.8813 7.5994 110.8837 61.7733 31.7092 176.8797 23 G 3.7528 7.8517 106.2794 46.8388 0.0000 174.7935 24 D 4.5573 7.7050 120.5056 52.1583 39.3755 175.4498 25 I 3.5975 7.8916 125.4543 64.2738 37.5382 177.3470 26 E 3.9734 8.1762 118.2158 59.2132 29.0806 179.1015 27 A 4.0845 7.8396 120.0662 54.7253 18.6490 179.6381 28 I 3.7273 7.5636 118.6285 64.6386 37.2500 178.4805 29 V 3.8105 8.0579 119.3824 66.4885 31.0380 177.8418 30 Q 4.0962 8.0037 118.0148 59.3643 29.1343 177.8710 31 M 4.1994 8.3486 119.5050 56.5928 32.0362 176.2148 32 F 4.8422 7.5590 117.4833 55.8465 40.5263 175.6524 33 A 4.2737 9.1058 127.6649 51.9560 18.9454 178.4904 34 D 4.4676 8.9359 120.4924 55.8451 39.2999 177.7529 35 D 5.0789 7.8681 117.0910 52.5711 40.0300 175.8612 36 A 4.6109 8.0868 121.8510 53.1788 19.8388 177.3342 37 T 5.0228 8.5853 108.9452 59.8262 72.2504 173.2281 38 V 4.6611 8.3615 122.8443 61.1854 35.2434 174.1623 39 E 4.6994 8.8290 125.9076 54.7895 32.5854 174.9428 40 D 4.8576 8.1722 125.6603 52.2190 43.3605 172.9932 41 P 4.4147 0.0000 0.0000 61.8638 32.8555 175.7497 42 F 4.1244 8.5452 124.5774 59.1584 39.6266 174.7498 43 G 3.4884 7.5981 115.5532 45.6562 0.0000 174.0561 44 Q 4.2586 7.1206 118.1545 53.4370 30.1492 173.7663 45 P 4.1786 0.0000 0.0000 62.5271 31.7975 174.9479 46 P 4.4716 0.0000 0.0000 62.6485 32.4861 175.6653 47 I 4.3221 8.5689 124.1949 60.0002 39.2013 174.3228 48 H 5.1185 8.7608 125.1069 55.2508 30.3259 175.6578 49 G 4.1874 8.9219 108.7698 46.0338 0.0000 174.8429 50 R 3.9026 8.2310 119.7715 58.9233 29.9849 179.3349 51 E 3.9305 8.1206 118.6182 59.5480 29.8120 178.8086 52 Q 4.0508 8.0152 117.5542 58.9758 28.7389 178.7067 53 I 3.7110 8.1658 121.0888 64.1881 37.0194 178.3236 54 A 4.1327 8.5786 121.9470 55.1707 18.2523 179.5128 55 A 3.9676 8.1692 119.3485 55.1441 18.4344 179.5093 56 F 4.1169 8.2187 119.1025 61.9270 39.3119 177.0470 57 Y 3.8010 8.2182 116.3507 60.9064 37.5637 178.6454 58 R 3.7968 8.4543 120.0895 59.3561 29.9163 178.7205 59 Q 4.0233 7.9292 117.2576 58.8586 28.8350 178.6487 60 G 3.5049 7.6007 105.2522 47.3749 0.0000 175.1502 61 L 4.5413 8.6528 120.0666 54.3582 43.3171 177.7190 62 G 3.8459 7.8331 110.6052 45.3739 0.0000 174.2834 *65 K 4.2604 7.6868 115.2547 55.5873 34.5179 176.7372 66 V 4.7247 7.5139 118.2441 61.3134 34.5091 174.2601 67 R 5.0311 8.9993 126.2380 54.6759 33.1119 174.9371 68 A 5.3577 9.7561 123.6618 50.9931 22.6194 175.3582 69 C 4.7938 8.8085 114.4580 56.7893 33.4519 173.7810 70 L 4.6458 8.6338 121.0058 55.3344 41.8385 177.1836 71 T 4.5347 8.0744 110.5937 61.1225 69.3562 173.7136 72 G 4.0760 7.3797 109.1598 44.3477 0.0000 171.4447 73 P 4.5043 0.0000 0.0000 61.9699 32.1814 176.1579 74 V 3.9615 8.1301 119.5826 63.0391 32.5374 175.4208 75 R 4.5647 9.4839 127.1481 54.8719 31.3998 175.3260 76 A 5.1036 8.5396 125.5466 50.5372 21.8502 175.2300 77 S 4.7253 8.6077 115.4644 57.2830 65.9989 174.0941 78 H 4.7618 8.8111 115.6503 56.1553 28.8886 175.3706 79 N 4.8453 8.0985 116.3095 52.5590 37.5776 175.1108 80 G 3.9092 8.4204 105.1903 46.8138 0.0000 172.9580 81 C 5.4522 7.5451 115.9441 57.9625 32.4160 172.6811 82 G 4.5173 8.7794 105.6279 46.1398 0.0000 172.1668 83 A 5.5217 9.1010 121.4137 50.7094 23.0369 175.2848 84 M 5.2312 9.3019 117.5674 53.3887 35.4541 171.9052 85 P 5.4996 0.0000 0.0000 61.7816 34.2419 174.0138 86 F 5.4161 9.0565 116.4163 56.2226 42.0880 172.5126 87 R 5.0193 9.0054 119.1224 54.4821 33.3371 174.0511 88 V 4.9001 8.6562 124.8833 61.1173 34.8253 173.8713 89 E 5.2002 9.5336 127.1275 54.8410 32.3108 174.9948 90 M 5.3746 8.9298 121.1738 53.5385 35.7747 174.3771 91 V 4.8040 8.4240 118.2275 61.1190 33.3409 174.1896 92 W 4.8354 9.1295 135.0000 56.6456 31.4890 175.8518 93 N 3.7528 9.5651 123.3366 54.4948 35.1902 175.1406 94 G 3.8871 8.5343 103.3390 45.7178 0.0000 173.5424 95 Q 4.7690 7.6523 120.9118 52.9618 32.1744 172.8603 96 P 4.9282 0.0000 0.0000 63.1889 32.1719 175.2671 97 C 5.2500 9.6130 121.1484 57.7818 32.8368 172.7326 98 A 5.2763 9.5057 122.9551 50.1045 22.3423 175.0101 99 L 4.8733 8.7007 122.3198 53.3459 45.2217 174.9397 100 D 4.9839 8.5056 126.7246 53.5142 41.9163 176.2100 101 V 4.7168 8.6623 122.4245 61.2434 36.1293 173.9027 102 I 5.1958 8.4807 123.6618 59.6962 40.7580 174.3537 103 L 5.3835 9.3047 127.4605 53.1405 44.2520 175.6672 104 V 4.8636 8.8872 122.9850 61.4615 34.3427 174.2293 105 M 5.2100 9.2077 126.5811 53.4444 36.6823 174.2112 106 R 4.9682 8.6290 121.5128 54.7712 32.9564 174.8369 107 F 5.1342 9.4343 125.7490 56.4401 41.6407 174.7590 108 D 5.0903 8.8810 121.1491 51.5508 42.2688 176.8675 109 E 4.1713 8.8643 114.4816 58.1264 29.1104 176.6820 110 H 4.7528 8.9297 116.9804 55.5532 29.4071 175.1057 111 G 3.8995 8.1786 106.1899 46.1176 0.0000 174.1780 112 R 4.8335 7.5917 118.8607 53.9999 32.3636 175.5827 113 I 3.4299 8.4563 122.4733 61.6152 37.4478 176.4950 114 Q 4.2085 9.2386 129.4778 57.9827 30.6075 175.6080 115 T 5.1700 7.5455 113.9309 61.9675 73.2737 172.8247 116 M 5.1676 8.7505 123.9411 54.0825 36.3698 173.8074 117 Q 4.8234 9.2904 123.8062 54.2629 33.0534 173.7611 118 A 5.1065 8.9659 127.1219 50.8306 21.2054 175.0638 119 Y 4.8753 9.1628 121.9694 56.5067 39.6205 175.2121 120 W 4.8177 8.1632 120.4743 56.9232 30.5724 173.7695 121 S 4.4201 8.5311 113.9469 57.3296 65.6108 174.2396 122 E 4.1213 8.9683 118.2892 60.0131 29.2041 179.8325 123 V 3.7769 7.2888 110.5474 63.8249 31.9408 176.6597 124 N 4.6774 8.2807 116.2127 53.3685 39.0827 174.5316 125 L 4.7611 7.8850 121.3883 54.2206 43.2632 175.3228 126 S 4.3986 8.7201 120.2371 58.4805 66.0649 176.3316 *127 V 3.9417 8.2854 116.8705 61.1154 32.0756 174.4568 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 N 8.42 4.58 0.00 2.72 2.88 0.00 0.00 7.15 6.97 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 3 L 8.48 4.15 0.00 1.73 2.16 0.97 0.66 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 4 P 0.00 4.53 0.00 1.81 1.67 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 5 T 9.08 4.22 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 1.19 0.00 0.00 6 A 8.47 4.00 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 7 Q 8.00 3.91 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 8.02 3.87 0.00 2.17 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 2.26 2.25 0.00 9 V 8.12 3.13 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 1.15 0.00 0.00 0.83 0.00 0.00 10 Q 8.19 4.07 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 11 G 8.08 3.56 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 12 L 8.11 3.96 0.00 1.42 1.66 0.20 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.41 4.20 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.73 0.00 14 A 8.01 4.01 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 15 R 8.04 3.83 0.00 1.98 2.13 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 16 Y 8.13 3.97 0.00 3.08 3.12 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 0.00 0.00 0.00 17 I 7.54 3.41 2.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.85 0.00 0.00 18 E 7.85 3.86 0.00 2.26 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 2.28 2.36 0.00 19 L 8.18 3.86 0.00 1.57 1.51 0.88 0.72 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 20 V 7.46 3.34 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 0.74 0.00 0.00 0.18 0.00 0.00 21 D 8.01 4.42 0.00 2.84 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 22 V 7.60 3.88 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 0.74 0.00 0.00 1.02 0.00 0.00 23 G 7.85 3.75 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 0.00 0.00 0.00 24 D 7.70 4.56 0.00 2.67 2.51 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 25 I 7.89 3.60 1.88 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 1.67 0.72 0.97 0.00 0.00 26 E 8.18 3.97 0.00 2.01 2.01 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 2.42 2.38 0.00 27 A 7.84 4.08 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 28 I 7.56 3.73 1.78 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.57 0.37 0.00 0.00 29 V 8.06 3.81 2.29 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 1.08 0.00 0.00 1.08 0.00 0.00 30 Q 8.00 4.10 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 31 M 8.35 4.20 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 32 F 7.56 4.84 0.00 3.34 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 33 A 9.11 4.27 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 34 D 8.94 4.47 0.00 2.86 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 35 D 7.87 5.08 0.00 2.80 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 36 A 8.09 4.61 1.61 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 0.00 0.00 37 T 8.59 5.02 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 38 V 8.36 4.66 1.71 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 0.56 0.00 0.00 0.67 0.00 0.00 39 E 8.83 4.70 0.00 2.01 1.76 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 2.11 2.16 0.00 40 D 8.17 4.86 0.00 2.70 2.46 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 41 P 0.00 4.41 0.00 1.28 0.49 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.17 0.00 42 F 8.55 4.12 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.60 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.12 4.26 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 45 P 0.00 4.18 0.00 1.94 1.93 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 46 P 0.00 4.47 0.00 1.78 1.83 0.00 3.58 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 47 I 8.57 4.32 1.52 0.00 0.00 0.50 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 0.75 0.82 0.00 0.00 48 H 8.76 5.12 0.00 2.91 3.21 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.92 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.23 3.90 0.00 1.87 2.04 0.00 3.19 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 51 E 8.12 3.93 0.00 2.05 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 2.39 2.42 0.00 52 Q 8.02 4.05 0.00 2.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 53 I 8.17 3.71 1.79 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 1.17 0.62 0.76 0.00 0.00 54 A 8.58 4.13 1.42 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 55 A 8.17 3.97 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 56 F 8.22 4.12 0.00 3.06 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 57 Y 8.22 3.80 0.00 3.10 2.96 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 58 R 8.45 3.80 0.00 2.03 2.12 0.00 3.12 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 59 Q 7.93 4.02 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 60 G 7.60 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 4.54 0.00 1.63 1.72 0.97 1.04 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 62 G 7.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 7.69 4.26 0.00 1.78 1.92 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.39 7.81 66 V 7.51 4.72 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 0.85 0.00 0.00 0.92 0.00 0.00 67 R 9.00 5.03 0.00 1.79 1.79 0.00 3.16 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 68 A 9.76 5.36 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.81 4.79 0.00 3.02 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 70 L 8.63 4.65 0.00 1.71 1.86 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.07 4.53 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 1.26 0.00 0.00 72 G 7.38 4.08 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 0.00 0.00 0.00 73 P 0.00 4.50 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 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 74 V 8.13 3.96 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 0.82 0.00 0.00 0.96 0.00 0.00 75 R 9.48 4.56 0.00 1.94 1.85 0.00 3.27 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 76 A 8.54 5.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.61 4.73 0.00 3.72 3.80 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 78 H 8.81 4.76 0.00 3.15 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.10 4.85 0.00 2.82 2.89 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.42 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 81 C 7.55 5.45 0.00 2.88 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 82 G 8.78 4.52 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 0.00 83 A 9.10 5.52 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 9.30 5.23 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 85 P 0.00 5.50 0.00 2.18 2.25 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 86 F 9.06 5.42 0.00 3.26 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 87 R 9.01 5.02 0.00 2.01 1.80 0.00 3.04 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 88 V 8.66 4.90 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 1.06 0.00 0.00 1.09 0.00 0.00 89 E 9.53 5.20 0.00 1.88 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 2.21 2.22 0.00 90 M 8.93 5.37 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 91 V 8.42 4.80 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 0.85 0.00 0.00 0.95 0.00 0.00 92 W 9.13 4.84 0.00 3.32 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 93 N 9.57 3.75 0.00 2.23 2.54 0.00 0.00 7.19 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 94 G 8.53 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 0.00 0.00 0.00 95 Q 7.65 4.77 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 96 P 0.00 4.93 0.00 2.13 2.07 0.00 3.76 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 2.00 2.01 0.00 97 C 9.61 5.25 0.00 2.88 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 98 A 9.51 5.28 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.70 4.87 0.00 1.43 1.19 -0.32 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.51 4.98 0.00 2.62 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 0.00 101 V 8.66 4.72 0.67 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 1.04 0.00 0.00 0.41 0.00 0.00 102 I 8.48 5.20 1.98 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 1.29 0.52 0.99 0.00 0.00 103 L 9.30 5.38 0.00 1.88 1.65 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.89 4.86 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 1.14 0.00 0.00 1.06 0.00 0.00 105 M 9.21 5.21 0.00 1.29 1.68 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 106 R 8.63 4.97 0.00 1.81 1.68 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 107 F 9.43 5.13 0.00 2.96 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 0.00 108 D 8.88 5.09 0.00 2.81 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 0.00 109 E 8.86 4.17 0.00 1.97 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 0.00 2.01 2.18 0.00 110 H 8.93 4.75 0.00 3.37 3.33 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.18 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 0.00 0.00 0.00 112 R 7.59 4.83 0.00 2.41 1.98 0.00 3.18 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 113 I 8.46 3.43 1.04 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.55 0.42 0.00 0.00 114 Q 9.24 4.21 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 115 T 7.55 5.17 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 1.20 0.00 0.00 116 M 8.75 5.17 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 117 Q 9.29 4.82 0.00 1.89 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 118 A 8.97 5.11 1.59 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 0.00 119 Y 9.16 4.88 0.00 3.04 2.96 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 0.00 120 W 8.16 4.82 0.00 3.36 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 0.00 121 S 8.53 4.42 0.00 3.96 3.94 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 0.00 122 E 8.97 4.12 0.00 2.14 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 2.43 2.46 0.00 123 V 7.29 3.78 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 0.69 0.00 0.00 0.98 0.00 0.00 124 N 8.28 4.68 0.00 3.19 3.03 0.00 0.00 6.42 6.02 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 0.00 125 L 7.89 4.76 0.00 1.54 1.77 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.72 4.40 0.00 4.01 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 *127 V 8.29 3.94 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 0.71 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.