NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9282 8.2133 108.0272 44.8663 0.0000 172.8584 3 I 4.3677 7.7469 128.7029 58.3825 37.6713 170.7736 4 V 3.6638 8.6425 129.4240 65.8220 32.4641 175.9580 5 G 4.1755 7.5355 104.0788 45.6528 0.0000 172.6473 6 V 5.0863 8.0257 119.6432 61.1306 35.7032 174.0586 7 G 4.3195 9.0335 111.5105 44.6420 0.0000 171.2520 8 I 5.2927 8.1985 120.8314 59.2236 41.1765 173.7128 9 D 4.9589 9.3840 128.1448 52.5408 44.9045 173.8860 10 L 5.2978 8.5835 123.1362 53.1348 45.2636 176.1271 11 V 4.5161 8.6183 121.0596 61.4160 35.3182 174.1688 12 S 4.7345 8.8932 123.0168 58.0799 63.1772 174.6615 13 I 3.8034 8.9754 129.9854 64.0054 36.8769 176.8387 14 P 4.3102 0.0000 0.0000 65.6881 31.3736 178.4620 15 D 4.4321 8.2706 117.8704 57.1680 40.7240 178.6093 16 F 4.1341 8.6117 121.3420 61.0685 39.1458 177.1565 17 A 3.8268 8.1577 120.5663 55.0847 17.9555 179.4911 18 E 3.9327 8.1389 116.4314 58.3189 29.5775 177.7703 19 Q 4.5346 6.9508 112.5668 55.3365 29.7525 176.8728 20 V 2.0000 7.1088 119.0649 63.5424 31.2735 175.9007 21 D 4.4915 7.2923 120.2526 52.2244 40.0079 174.2196 22 Q 4.1788 8.0640 121.6665 53.9488 30.7342 171.0815 23 P 4.2129 0.0000 0.0000 66.7176 30.9893 175.8295 24 G 3.8158 8.5738 110.8284 45.3108 0.0000 172.1517 25 T 4.4564 7.4612 110.3915 59.5251 70.8041 175.8442 26 V 3.6405 7.7104 113.6512 63.4630 31.2846 178.8685 27 F 4.1637 7.4252 117.7192 60.6045 38.7635 177.0104 28 A 4.2984 7.4994 118.4359 55.0465 18.0937 178.4931 29 E 4.4224 7.4318 113.8351 56.9918 29.8659 176.4608 30 T 4.5863 7.5843 110.3421 61.8302 71.9058 173.3619 31 F 5.5760 8.2206 119.0021 55.6127 41.7500 176.0675 32 T 4.1954 9.0500 120.4684 62.9332 70.2287 174.3157 33 P 4.4787 0.0000 0.0000 65.6976 31.3150 179.2981 34 G 3.6096 7.9705 103.8733 47.4114 0.0000 175.3894 35 E 3.9184 8.1982 120.6240 59.5452 29.3796 179.7203 36 R 3.7908 8.5746 118.0389 58.9542 29.7977 179.2448 37 R 3.9145 7.6410 119.2914 58.9962 29.9523 178.1007 38 D 4.4228 8.5062 118.7686 56.9782 40.5469 178.4344 39 A 4.1504 7.8595 120.4218 54.5133 18.3987 179.1651 40 S 4.4525 7.5997 115.4148 59.2912 62.6712 173.5369 41 D 4.7454 7.3990 120.9372 52.3274 40.8473 176.9752 42 K 4.1229 8.5837 126.9053 58.8136 32.9705 177.8965 43 S 4.4514 8.3443 113.6690 58.9607 63.9826 175.0626 44 S 4.4861 7.6187 118.2473 57.5245 65.1638 175.1716 45 S 3.9601 8.6640 118.8660 61.3414 62.4234 176.6447 46 A 3.8486 7.9253 123.9394 55.0717 18.1204 179.2677 47 A 3.9181 7.4953 117.5756 55.4869 18.0132 179.9245 48 R 3.7782 7.9083 116.5596 59.9351 29.6913 179.1186 49 H 4.2789 8.3644 116.1108 58.4954 28.6822 177.4987 50 L 4.0973 7.9181 120.0327 56.4041 41.5746 179.0232 51 A 2.5800 7.4935 121.0210 54.5843 18.2445 179.4572 52 A 3.9382 7.5097 118.2769 55.4577 18.5028 180.1280 53 R 4.0950 7.7863 116.0779 59.0085 30.1061 179.2042 54 W 4.3889 8.5149 128.1389 60.3879 30.7313 177.6234 55 A 4.7264 8.7276 122.3871 54.5892 17.6591 179.1860 56 A 3.8822 8.4441 119.2642 55.3884 18.3967 179.2776 57 K 3.5781 7.7761 117.6563 60.0493 32.0898 178.3970 58 E 3.6628 8.0044 118.3651 59.3770 29.3774 179.2303 59 A 3.9568 8.2066 121.0012 55.2158 18.3712 179.9565 60 V 3.4997 8.0411 116.8965 66.1509 31.5419 177.9031 61 I 3.7452 7.7331 119.5651 64.6445 37.0132 178.1243 62 K 3.8653 8.2601 118.5193 59.6543 31.7789 178.8961 63 A 4.2259 7.6565 120.5196 54.3924 18.5327 179.1187 64 W 4.3458 8.3854 126.3035 60.6468 30.6246 177.8390 65 S 3.5172 8.3725 112.0075 61.2974 61.9721 176.2263 66 G 3.7382 7.8579 105.2263 46.2632 0.0000 172.9735 67 S 4.7058 7.6536 116.3838 56.6019 65.7029 174.1114 68 R 4.0660 8.5264 115.2624 59.2384 29.6670 178.5958 69 F 3.7768 8.6132 115.9131 59.2303 39.0038 175.4516 70 A 3.2761 7.1766 123.0849 49.9887 17.2847 176.7372 71 Q 3.8509 7.7794 120.2379 56.5260 29.6647 178.7962 72 R 3.9478 8.3537 118.8021 57.9576 30.7735 175.7547 73 P 4.7011 0.0000 0.0000 61.5287 31.0950 175.3543 74 V 3.6385 7.1935 110.9102 63.5108 32.6724 175.1167 75 L 3.7486 8.7868 121.9218 54.9283 39.2339 171.9431 76 P 4.2953 0.0000 0.0000 62.6092 31.7576 176.5678 77 E 5.3153 8.2373 121.8732 56.1361 32.6142 177.1121 78 D 4.8219 7.7894 116.7105 52.7016 39.8844 175.1580 79 I 4.4781 7.4487 114.9154 61.3002 40.1791 174.7433 80 H 4.4403 8.2665 115.2448 57.0941 29.4318 175.5341 81 R 4.5081 7.7111 116.3517 56.0233 31.6210 176.0358 82 D 4.4793 8.0883 117.1699 57.2814 42.0317 176.0638 83 I 4.5975 7.5184 118.8861 59.5724 38.8665 175.1251 84 E 4.6877 8.7757 127.3552 54.3370 32.6888 174.3329 85 V 4.6756 8.6100 127.3391 60.3532 32.9877 175.6483 86 V 4.6809 8.6144 124.3704 59.8068 35.2065 174.8595 87 T 4.5305 8.5115 118.5586 63.6149 69.4427 174.1891 88 D 4.7157 8.7305 125.7972 53.0241 43.1210 176.6678 89 M 3.8249 8.9900 120.3759 58.5975 31.8922 176.8251 90 W 4.3429 8.4786 114.1527 56.7825 29.0398 176.9879 91 G 3.9943 8.5853 106.6805 45.1420 0.0000 173.4709 92 R 4.8833 7.7380 115.7837 53.1252 32.3062 173.4465 93 P 5.0588 0.0000 0.0000 63.0265 32.5781 175.5283 94 R 4.7508 8.8997 122.3816 54.6635 33.5476 174.1617 95 V 4.6468 8.4656 125.5299 60.8898 33.6763 175.6418 96 R 4.5404 8.8044 121.7415 54.6289 32.8165 174.3844 97 L 5.1247 8.5145 124.6125 53.5413 42.8847 176.1465 98 T 4.4652 8.4342 112.6807 60.6490 72.9642 174.3109 99 G 4.1672 8.5773 107.4311 46.3386 0.0000 175.2322 100 A 3.9124 8.2203 119.5305 54.9258 18.5450 179.7809 101 I 3.4847 7.5970 117.6305 64.6303 37.2220 178.0145 102 A 3.9115 7.4669 120.5024 55.5425 17.7834 179.5240 103 E 3.9446 7.2966 114.8325 59.4263 29.6349 178.6483 104 Y 4.6640 7.4620 116.1061 61.1657 37.8145 179.1950 105 L 4.5319 8.3669 117.2240 54.9330 41.5378 179.0871 106 A 4.6596 8.1423 123.4852 54.5344 18.6782 178.7754 107 D 4.9014 7.8737 111.2266 52.5618 41.1058 174.6296 108 V 4.5910 7.8149 112.0847 59.7520 36.4765 176.4958 109 T 4.2899 8.0406 121.1622 62.8718 69.9625 173.7076 110 I 4.7938 8.2493 127.0981 60.0566 38.9547 174.6261 111 H 5.0938 9.1006 125.0179 54.1938 30.9284 174.5423 112 V 5.0317 8.2222 120.3740 60.2861 34.9659 174.5982 113 S 4.6751 8.8034 115.6419 56.9448 65.8397 172.7542 114 L 5.2523 8.2885 125.7162 53.7309 44.9280 175.1711 115 T 4.6034 8.3313 113.6659 62.3312 71.3903 171.8697 116 H 5.2574 8.4100 118.8690 54.6162 31.3112 172.8647 117 E 4.5562 9.5463 122.9311 55.8280 34.0897 175.2059 118 G 3.9058 8.9883 116.6595 47.2111 0.0000 173.6188 119 D 4.9766 9.1267 124.0665 53.7817 43.0328 174.1605 120 T 5.1455 8.1539 114.3522 60.1560 70.3599 172.6913 121 A 5.2562 9.0375 128.7353 50.2646 22.5941 174.7521 122 A 5.6848 9.0854 121.3031 49.9044 23.4171 174.7072 123 A 5.1833 8.4719 118.5934 52.0815 22.9871 175.6674 124 V 5.5073 8.3924 116.9228 59.9071 35.5355 173.8142 125 A 5.1381 8.4187 122.2484 50.7099 22.8401 174.8850 126 I 4.9135 8.8415 122.5957 59.4147 40.6780 174.5789 127 L 5.0020 8.9527 126.7759 53.2747 43.6087 176.1319 128 E 5.0064 8.7533 123.4530 55.1467 32.5957 174.9778 129 A 4.5223 8.4430 124.4712 50.9061 22.3793 175.5996 *130 P 4.1597 0.0000 0.0000 62.2916 31.5943 173.3269 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 G 8.21 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 0.00 0.00 0.00 3 I 7.75 4.37 1.85 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 1.23 0.55 0.91 0.00 0.00 4 V 8.64 3.66 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 0.56 0.00 0.00 0.49 0.00 0.00 5 G 7.54 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 0.00 0.00 0.00 0.00 6 V 8.03 5.09 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 1.02 0.00 0.00 0.92 0.00 0.00 7 G 9.03 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 0.00 0.00 0.00 0.00 8 I 8.20 5.29 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 1.23 0.97 0.91 0.00 0.00 9 D 9.38 4.96 0.00 2.70 2.52 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 10 L 8.58 5.30 0.00 1.55 1.57 0.94 0.84 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 11 V 8.62 4.52 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 1.09 0.00 0.00 1.18 0.00 0.00 12 S 8.89 4.73 0.00 3.95 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 13 I 8.98 3.80 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 1.52 0.76 0.94 0.00 0.00 14 P 0.00 4.31 0.00 2.18 2.11 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 15 D 8.27 4.43 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 4.13 0.00 3.12 3.21 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 0.00 17 A 8.16 3.83 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 E 8.14 3.93 0.00 2.19 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 2.33 2.33 0.00 19 Q 6.95 4.53 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 20 V 7.11 2.00 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 0.20 0.00 0.00 0.12 0.00 0.00 21 D 7.29 4.49 0.00 2.65 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 22 Q 8.06 4.18 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 23 P 0.00 4.21 0.00 2.03 2.08 0.00 3.65 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 2.03 2.12 0.00 24 G 8.57 3.82 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 0.00 0.00 0.00 25 T 7.46 4.46 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 1.25 0.00 0.00 26 V 7.71 3.64 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 0.84 0.00 0.00 0.48 0.00 0.00 27 F 7.43 4.16 0.00 3.02 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 28 A 7.50 4.30 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 29 E 7.43 4.42 0.00 2.08 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 2.43 2.43 0.00 30 T 7.58 4.59 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 1.05 0.00 0.00 31 F 8.22 5.58 0.00 3.09 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 32 T 9.05 4.20 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 P 0.00 4.48 0.00 2.17 2.12 0.00 3.62 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 2.14 2.19 0.00 34 G 7.97 3.61 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 0.00 35 E 8.20 3.92 0.00 2.25 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 2.35 2.42 0.00 36 R 8.57 3.79 0.00 1.89 2.03 0.00 3.30 0.00 0.00 3.43 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 37 R 7.64 3.91 0.00 1.82 2.10 0.00 3.11 0.00 0.00 3.04 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 38 D 8.51 4.42 0.00 2.64 2.65 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 0.00 0.00 0.00 39 A 7.86 4.15 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 40 S 7.60 4.45 0.00 3.86 3.88 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 41 D 7.40 4.75 0.00 2.70 2.65 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 0.00 0.00 0.00 42 K 8.58 4.12 0.00 1.89 1.93 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 43 S 8.34 4.45 0.00 3.98 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 44 S 7.62 4.49 0.00 3.98 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 45 S 8.66 3.96 0.00 3.85 4.10 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 46 A 7.93 3.85 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 47 A 7.50 3.92 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 48 R 7.91 3.78 0.00 1.70 1.77 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 1.62 1.63 0.00 49 H 8.36 4.28 0.00 3.04 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.92 4.10 0.00 1.73 1.57 0.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.49 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.51 3.94 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 53 R 7.79 4.09 0.00 2.22 2.29 0.00 3.21 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 1.70 0.00 54 W 8.51 4.39 0.00 3.91 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 55 A 8.73 4.73 1.44 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 0.00 0.00 56 A 8.44 3.88 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 57 K 7.78 3.58 0.00 1.87 1.42 0.00 1.52 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.06 1.33 7.81 58 E 8.00 3.66 0.00 2.02 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 1.47 1.81 0.00 59 A 8.21 3.96 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 60 V 8.04 3.50 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 0.97 0.00 0.00 0.93 0.00 0.00 61 I 7.73 3.75 1.94 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 1.52 0.51 1.00 0.00 0.00 62 K 8.26 3.87 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 63 A 7.66 4.23 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 64 W 8.39 4.35 0.00 3.36 3.40 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 65 S 8.37 3.52 0.00 4.05 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 66 G 7.86 3.74 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 0.00 0.00 0.00 67 S 7.65 4.71 0.00 4.00 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 68 R 8.53 4.07 0.00 1.99 2.21 0.00 3.22 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 69 F 8.61 3.78 0.00 2.96 3.37 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 70 A 7.18 3.28 0.37 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 71 Q 7.78 3.85 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.07 0.00 0.00 0.00 0.00 0.00 1.82 2.07 0.00 72 R 8.35 3.95 0.00 1.71 1.93 0.00 3.14 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 73 P 0.00 4.70 0.00 2.17 2.09 0.00 3.65 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 1.91 1.95 0.00 74 V 7.19 3.64 1.87 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 -0.16 0.00 0.00 0.78 0.00 0.00 75 L 8.79 3.75 0.00 2.12 1.91 1.05 0.99 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 76 P 0.00 4.30 0.00 2.14 1.92 0.00 3.89 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 2.13 2.18 0.00 77 E 8.24 5.32 0.00 1.89 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 2.04 2.18 0.00 78 D 7.79 4.82 0.00 2.75 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 79 I 7.45 4.48 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 1.41 0.96 0.96 0.00 0.00 80 H 8.27 4.44 0.00 3.18 3.45 0.00 5.90 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 81 R 7.71 4.51 0.00 1.85 1.90 0.00 3.30 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 1.50 1.66 0.00 82 D 8.09 4.48 0.00 2.59 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 83 I 7.52 4.60 1.72 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 1.23 0.55 0.80 0.00 0.00 84 E 8.78 4.69 0.00 2.01 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 2.22 2.27 0.00 85 V 8.61 4.68 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 0.99 0.00 0.00 0.99 0.00 0.00 86 V 8.61 4.68 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 0.87 0.00 0.00 0.98 0.00 0.00 87 T 8.51 4.53 4.27 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 1.24 0.00 0.00 88 D 8.73 4.72 0.00 3.03 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 89 M 8.99 3.82 0.00 1.60 1.94 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.66 0.00 90 W 8.48 4.34 0.00 3.52 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 91 G 8.59 3.99 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 0.00 0.00 0.00 92 R 7.74 4.88 0.00 1.90 2.09 0.00 2.96 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 93 P 0.00 5.06 0.00 2.12 2.11 0.00 3.73 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 2.00 1.98 0.00 94 R 8.90 4.75 0.00 1.94 1.77 0.00 3.11 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 95 V 8.47 4.65 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 0.73 0.00 0.00 0.95 0.00 0.00 96 R 8.80 4.54 0.00 1.74 1.85 0.00 3.12 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 97 L 8.51 5.12 0.00 1.47 1.51 0.85 0.75 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 98 T 8.43 4.47 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 1.19 0.00 0.00 99 G 8.58 4.17 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 0.00 100 A 8.22 3.91 1.25 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 0.00 0.00 0.00 101 I 7.60 3.48 1.62 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 1.57 0.59 0.27 0.00 0.00 102 A 7.47 3.91 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 0.00 103 E 7.30 3.94 0.00 1.94 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 2.37 2.34 0.00 104 Y 7.46 4.66 0.00 3.24 3.39 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 0.00 105 L 8.37 4.53 0.00 1.76 1.68 1.10 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.14 4.66 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 0.00 107 D 7.87 4.90 0.00 2.66 2.61 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 0.00 108 V 7.81 4.59 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 0.51 0.00 0.00 0.86 0.00 0.00 109 T 8.04 4.29 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 1.04 0.00 0.00 110 I 8.25 4.79 1.82 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 0.57 0.89 0.00 0.00 111 H 9.10 5.09 0.00 3.02 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.22 5.03 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 0.71 0.00 0.00 0.98 0.00 0.00 113 S 8.80 4.68 0.00 3.91 3.68 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 0.00 114 L 8.29 5.25 0.00 1.55 1.55 0.95 0.86 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 0.00 115 T 8.33 4.60 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 1.28 0.00 0.00 116 H 8.41 5.26 0.00 3.26 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.55 4.56 0.00 1.86 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 2.21 2.40 0.00 118 G 8.99 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 0.00 119 D 9.13 4.98 0.00 2.67 2.66 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 0.00 120 T 8.15 5.15 4.27 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 1.37 0.00 0.00 121 A 9.04 5.26 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 0.00 122 A 9.09 5.68 1.21 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 0.00 0.00 0.00 123 A 8.47 5.18 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 0.00 124 V 8.39 5.51 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 0.82 0.00 0.00 0.97 0.00 0.00 125 A 8.42 5.14 1.21 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 0.00 0.00 0.00 126 I 8.84 4.91 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 1.23 0.70 0.93 0.00 0.00 127 L 8.95 5.00 0.00 1.64 1.49 0.93 0.75 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 0.00 128 E 8.75 5.01 0.00 2.05 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 2.24 2.28 0.00 129 A 8.44 4.52 1.11 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 0.00 0.00 *130 P 0.00 4.16 0.00 1.87 1.89 0.00 3.67 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 1.89 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.