NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3464 8.3149 122.0531 55.7357 34.6205 175.0260 4 I 4.5004 7.8531 120.0928 59.4326 40.8301 172.5544 5 R 5.7922 8.7826 128.8624 54.4062 31.7012 174.7292 6 I 5.0451 8.3019 118.0811 59.0218 40.9718 174.2146 7 K 4.7246 9.0893 125.0726 54.7473 34.3616 175.3683 8 L 5.5291 8.3918 124.2819 51.9986 42.8311 174.0953 9 R 4.5317 8.2292 120.1022 54.9812 31.1551 175.1380 10 G 4.3998 8.5843 110.6179 44.3575 0.0000 172.1976 11 F 4.9158 8.5495 117.0028 59.0188 39.4782 176.3744 12 D 4.6960 7.8413 119.6362 53.2863 42.3788 176.3340 13 H 4.5949 8.6225 119.7189 57.5152 29.4513 177.2835 14 K 4.2752 8.8716 116.6972 57.2850 31.3169 177.3690 15 T 4.6349 7.6673 108.1104 60.8892 70.6421 175.4879 16 L 4.8848 7.2847 123.3652 56.3461 42.5092 178.7914 17 D 4.8593 8.2891 116.9556 53.9774 39.6654 176.8436 18 A 4.7045 8.7174 121.5828 51.5690 24.4733 179.0957 19 S 4.5561 7.7608 109.1225 59.6587 63.6805 176.1277 20 A 4.1254 7.7744 124.4067 54.7080 18.6555 178.8477 21 Q 3.9484 7.9736 116.3379 58.1264 29.1794 177.9731 22 K 4.1513 7.1918 116.5351 59.7594 32.3188 178.3713 23 I 3.8996 7.3791 119.0167 64.5355 36.9817 177.2478 24 V 3.7352 8.3006 119.9221 66.0896 30.7454 176.4914 25 E 4.2334 7.9052 115.6125 56.9660 29.7590 177.6503 26 A 4.5948 7.4076 118.3212 52.1391 19.8359 177.9436 27 A 5.1053 7.4466 117.3567 51.8749 22.3303 178.8018 28 R 3.8886 8.1833 114.6128 59.5461 30.0939 178.1472 29 R 4.1174 7.9298 115.0044 57.4499 31.1608 176.1483 30 S 4.7767 8.5154 113.1401 56.8959 63.1806 171.5082 31 G 3.8494 8.0900 107.7196 44.8227 0.0000 172.5818 32 A 4.0587 8.9706 126.7336 52.4044 18.5658 177.9789 33 Q 4.3666 8.3151 118.9370 56.4502 30.2345 175.1312 34 V 4.8022 8.0493 118.1924 62.1243 35.0831 173.8479 35 S 4.6756 8.2445 119.3596 56.3310 64.1067 174.4611 36 G 3.8665 8.8630 113.7660 44.1214 0.0000 171.0285 37 P 4.7192 0.0000 0.0000 62.0234 31.1950 176.4836 38 I 4.0941 9.2202 121.1138 59.5476 38.7380 173.6502 39 P 4.9442 0.0000 0.0000 62.0069 31.6779 175.5819 40 L 4.6661 8.0200 124.7025 53.1188 42.3865 174.6622 41 P 4.1623 0.0000 0.0000 63.0469 32.0115 175.8112 42 T 4.6742 8.1319 117.7227 62.0834 70.1853 174.4124 43 R 4.5289 8.5202 123.7568 54.8308 32.0127 175.6059 44 V 4.6604 8.2842 123.2869 59.7250 34.5604 175.1651 45 R 4.6403 7.5405 119.3360 54.9597 29.5874 177.7068 46 R 4.4614 7.5828 118.7016 56.3671 27.4369 177.5604 47 F 4.9634 7.5013 116.9584 55.6831 40.7887 176.9225 48 T 4.9272 8.5108 117.5759 62.5003 71.2458 173.7062 49 V 4.5672 8.1028 121.3800 61.4065 35.5637 173.2710 50 I 3.7174 8.3132 120.8720 61.1207 37.5186 175.1403 51 R 3.5077 8.3325 125.2116 59.2019 30.5344 176.7809 52 G 4.0765 8.1587 109.9220 45.6100 0.0000 171.5075 53 P 4.3626 0.0000 0.0000 65.5457 31.4317 177.2282 54 F 4.5707 7.8620 121.4028 58.0247 39.4177 174.5032 55 K 4.3390 7.2268 117.2875 56.2083 35.9324 175.8043 56 H 4.9102 8.3690 117.9128 55.5162 30.9578 175.7575 57 K 3.8889 8.0536 116.7212 57.9975 33.5610 177.3711 58 D 4.8956 8.5522 121.3638 55.7187 41.0451 178.7562 59 S 3.6062 7.2923 109.5391 60.5384 61.0557 171.4863 60 R 5.0552 7.5684 130.8099 55.6417 32.9434 174.3939 61 E 4.6262 8.5549 118.6549 56.2086 33.3625 175.1661 62 H 5.0210 8.7462 121.8537 53.6647 31.5609 172.9477 63 F 5.3254 8.5622 118.1561 55.6688 42.6746 173.8955 64 E 4.6561 8.6197 118.8143 53.2274 32.5652 175.0626 65 L 4.2935 8.0017 123.9025 53.3130 43.7940 174.9854 66 R 4.1974 8.1714 126.2888 56.1251 31.9906 176.0158 67 T 4.8594 8.4104 121.3752 62.1573 69.8636 172.3803 68 H 4.6538 9.0816 123.9363 55.3452 29.9827 174.0424 69 N 5.2923 8.8560 119.7151 51.3838 41.9584 173.2230 70 R 4.7542 8.4281 122.8499 54.4095 33.4243 174.1603 71 L 5.2776 8.4301 126.2641 52.3278 46.0935 175.1722 72 V 4.6382 8.3350 124.5543 61.4049 35.3431 173.1951 73 D 5.8390 8.8177 126.6303 51.3595 43.8732 175.1285 74 I 4.1568 8.2733 119.0186 59.9811 39.0085 176.1925 75 I 4.1527 7.9396 121.0212 60.7377 38.6410 178.4267 76 N 4.1791 9.5338 124.0924 53.0387 38.4275 172.3649 77 P 4.5229 0.0000 0.0000 62.4501 28.8882 175.7186 78 N 4.5097 8.1926 124.4676 54.5388 39.2560 175.0728 79 R 4.4346 8.2960 116.3670 56.6095 31.2503 177.3851 80 K 4.4515 7.9699 116.5396 56.3792 32.4466 176.9198 81 T 4.4431 7.5394 110.6462 62.7045 70.5590 176.2992 82 I 4.0527 7.8202 118.8385 61.5562 37.3909 175.3089 83 E 4.2006 8.5739 122.0099 56.6584 30.1332 177.0650 84 Q 4.0931 8.9355 121.5545 57.8237 28.9981 176.5707 85 L 4.4273 6.9638 116.2273 55.5579 44.1573 177.5803 86 M 3.7466 8.0531 124.5383 58.2590 32.8722 177.4676 87 T 4.2428 7.8826 107.1646 62.6583 70.2652 174.4913 88 L 4.2690 7.2100 125.4588 53.5984 40.8054 174.6529 89 D 5.0138 8.2248 124.6077 52.5675 42.7519 176.7670 90 L 4.8739 8.0581 122.3854 53.7002 42.9042 175.1647 91 P 4.4838 0.0000 0.0000 62.9133 32.1677 175.7327 92 T 4.5386 8.8780 113.1186 60.5712 69.1246 173.7826 93 G 5.0960 7.0465 120.0597 46.7139 0.0000 172.4388 94 V 4.4006 7.3128 117.3411 60.6482 35.3413 174.3193 95 E 4.5409 8.5526 127.2068 55.4065 31.3434 175.1882 96 I 5.1415 8.0954 118.6653 59.5496 40.5608 174.1177 97 E 4.6620 9.4451 126.5877 54.5187 33.0445 174.6758 98 I 5.0215 8.5086 124.9806 59.7037 40.4320 175.1874 99 K 4.8163 8.9527 124.7621 56.0606 36.7286 174.5437 100 T 4.6213 8.2635 111.9431 62.2252 71.3525 174.5186 *101 V 3.9054 8.1800 117.6347 61.1534 32.3498 172.1097 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 3 K 8.31 4.35 0.00 1.87 1.93 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 4 I 7.85 4.50 1.87 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 1.11 1.01 0.98 0.00 0.00 5 R 8.78 5.79 0.00 2.00 1.79 0.00 3.08 0.00 0.00 3.44 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 6 I 8.30 5.05 1.87 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 1.46 0.80 0.95 0.00 0.00 7 K 9.09 4.72 0.00 1.74 1.73 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.53 7.81 8 L 8.39 5.53 0.00 1.59 1.55 0.92 0.66 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 9 R 8.23 4.53 0.00 1.74 1.91 0.00 3.19 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 10 G 8.58 4.40 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 0.00 11 F 8.55 4.92 0.00 2.97 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 12 D 7.84 4.70 0.00 2.73 2.54 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 13 H 8.62 4.59 0.00 3.40 3.73 0.00 5.53 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.87 4.28 0.00 2.03 1.90 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.48 7.81 15 T 7.67 4.63 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 1.22 0.00 0.00 16 L 7.28 4.88 0.00 1.82 1.76 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.29 4.86 0.00 2.74 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 18 A 8.72 4.70 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 19 S 7.76 4.56 0.00 4.10 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 0.00 20 A 7.77 4.13 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 21 Q 7.97 3.95 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 22 K 7.19 4.15 0.00 2.04 1.94 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.61 7.81 23 I 7.38 3.90 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 1.40 1.16 0.91 0.00 0.00 24 V 8.30 3.74 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 1.03 0.00 0.00 1.00 0.00 0.00 25 E 7.91 4.23 0.00 1.98 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 2.31 2.37 0.00 26 A 7.41 4.59 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 27 A 7.45 5.11 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 28 R 8.18 3.89 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 29 R 7.93 4.12 0.00 1.77 1.94 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 30 S 8.52 4.78 0.00 4.04 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 31 G 8.09 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 32 A 8.97 4.06 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 33 Q 8.32 4.37 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.05 4.80 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 0.83 0.00 0.00 0.93 0.00 0.00 35 S 8.24 4.68 0.00 3.85 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 36 G 8.86 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 37 P 0.00 4.72 0.00 1.95 2.06 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 38 I 9.22 4.09 1.87 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 1.44 0.88 0.91 0.00 0.00 39 P 0.00 4.94 0.00 2.10 2.13 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 40 L 8.02 4.67 0.00 1.71 1.70 0.93 0.96 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 41 P 0.00 4.16 0.00 2.06 2.07 0.00 3.67 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 2.04 2.15 0.00 42 T 8.13 4.67 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 1.26 0.00 0.00 43 R 8.52 4.53 0.00 1.75 1.87 0.00 3.26 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 44 V 8.28 4.66 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 1.10 0.00 0.00 0.90 0.00 0.00 45 R 7.54 4.64 0.00 1.64 1.80 0.00 3.52 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 46 R 7.58 4.46 0.00 1.63 1.82 0.00 3.14 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 47 F 7.50 4.96 0.00 3.01 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 48 T 8.51 4.93 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 1.02 0.00 0.00 49 V 8.10 4.57 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 0.97 0.00 0.00 0.93 0.00 0.00 50 I 8.31 3.72 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.88 0.00 0.00 51 R 8.33 3.51 0.00 1.93 1.90 0.00 3.19 0.00 0.00 3.23 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 52 G 8.16 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 53 P 0.00 4.36 0.00 2.27 2.24 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 54 F 7.86 4.57 0.00 2.85 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 55 K 7.23 4.34 0.00 1.59 1.22 0.00 1.11 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 1.14 7.81 56 H 8.37 4.91 0.00 3.19 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.05 3.89 0.00 1.70 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 58 D 8.55 4.90 0.00 2.48 2.53 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 59 S 7.29 3.61 0.00 4.04 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 60 R 7.57 5.06 0.00 1.64 2.02 0.00 3.17 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 61 E 8.55 4.63 0.00 1.88 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 1.61 2.14 0.00 62 H 8.75 5.02 0.00 3.05 3.23 0.00 5.54 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.56 5.33 0.00 3.03 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 64 E 8.62 4.66 0.00 1.75 1.68 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 2.07 2.00 0.00 65 L 8.00 4.29 0.00 1.58 1.41 0.30 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.17 4.20 0.00 1.80 1.94 0.00 3.12 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 67 T 8.41 4.86 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 1.30 0.00 0.00 68 H 9.08 4.65 0.00 3.27 3.25 0.00 5.57 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 69 N 8.86 5.29 0.00 2.63 2.70 0.00 0.00 6.57 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 70 R 8.43 4.75 0.00 1.95 1.74 0.00 3.15 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 71 L 8.43 5.28 0.00 1.71 1.65 1.04 1.06 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 72 V 8.33 4.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 73 D 8.82 5.84 0.00 2.70 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 74 I 8.27 4.16 1.87 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 1.40 0.60 0.91 0.00 0.00 75 I 7.94 4.15 1.87 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 1.25 0.59 0.91 0.00 0.00 76 N 9.53 4.18 0.00 2.68 2.83 0.00 0.00 6.87 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 77 P 0.00 4.52 0.00 2.21 2.08 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 78 N 8.19 4.51 0.00 2.73 2.82 0.00 0.00 7.11 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 79 R 8.30 4.43 0.00 1.78 1.95 0.00 3.36 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 80 K 7.97 4.45 0.00 1.86 1.82 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.41 7.81 81 T 7.54 4.44 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 1.25 0.00 0.00 82 I 7.82 4.05 1.87 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 1.30 0.80 0.91 0.00 0.00 83 E 8.57 4.20 0.00 1.92 1.65 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 0.00 2.20 2.24 0.00 84 Q 8.94 4.09 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 85 L 6.96 4.43 0.00 1.79 1.52 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.05 3.75 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 87 T 7.88 4.24 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 1.27 0.00 0.00 88 L 7.21 4.27 0.00 1.43 1.85 0.92 1.25 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 89 D 8.22 5.01 0.00 2.68 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 90 L 8.06 4.87 0.00 1.55 1.60 0.93 1.05 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 91 P 0.00 4.48 0.00 2.15 2.02 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 92 T 8.88 4.54 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 1.20 0.00 0.00 93 G 7.05 5.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.31 4.40 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 0.77 0.00 0.00 0.89 0.00 0.00 95 E 8.55 4.54 0.00 2.07 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 2.24 2.27 0.00 96 I 8.10 5.14 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 0.89 0.00 0.00 97 E 9.45 4.66 0.00 1.84 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 2.20 2.40 0.00 98 I 8.51 5.02 1.87 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 1.34 0.48 0.93 0.00 0.00 99 K 8.95 4.82 0.00 1.58 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.50 7.81 100 T 8.26 4.62 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 1.24 0.00 0.00 *101 V 8.18 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.