NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9545 8.1976 109.7367 45.9584 0.0000 174.6535 3 S 5.0005 7.8236 111.5901 56.6165 63.9123 173.8346 4 M 4.5467 8.8320 119.0520 56.4103 32.0257 177.6560 5 E 4.8876 8.6419 116.6753 55.5233 32.2019 177.4459 6 S 4.2512 8.4702 117.3651 62.1949 62.6229 176.4433 7 T 3.8645 8.5779 119.6661 66.1781 68.2556 176.5215 8 Q 3.9515 8.6585 121.7845 59.2649 28.8593 178.2856 9 Q 3.9854 8.0091 117.9783 59.2905 28.8693 178.2546 10 M 4.1584 8.1733 118.9151 58.6047 32.1361 178.1406 11 A 4.0239 8.3510 121.2370 54.8748 18.5160 179.7036 12 V 3.6800 7.8695 117.1236 65.6843 31.5806 178.0749 13 S 4.4926 7.8795 113.5549 60.6040 62.3003 176.4839 14 I 3.8012 7.4810 124.3987 64.2904 36.8619 178.2589 15 I 4.0018 7.6834 120.1162 64.6093 37.2578 177.9375 16 N 4.4297 8.6773 117.6338 56.6980 38.3185 177.7682 17 S 4.2061 8.2618 116.4731 61.5140 62.8850 176.9411 18 S 4.0826 7.8352 116.9783 61.4119 62.5823 176.3744 19 F 3.3219 7.8463 123.2838 61.1459 39.0297 177.0847 20 E 3.5831 8.1132 117.9090 59.0807 29.1614 179.1666 21 A 3.8963 8.1204 121.0390 55.0423 18.4394 179.5945 22 A 3.7784 7.7859 119.2795 55.0450 18.3396 180.0014 23 V 3.1830 7.1494 116.7570 65.9289 31.4487 178.4141 24 V 3.5131 7.5928 117.6562 65.8946 31.3256 177.7017 25 A 3.8994 8.0169 120.2732 55.1521 18.2147 179.3596 26 A 3.7989 7.9000 119.2994 55.4521 18.5025 179.8335 27 T 3.0483 7.8114 108.0658 64.8224 68.6714 176.4079 28 S 4.0565 8.2869 116.1886 60.7719 62.1834 175.8715 29 A 3.9520 7.8439 122.4401 55.2387 18.4434 179.2462 30 L 4.0580 7.6777 117.3856 57.9735 41.6874 179.3842 31 E 4.1403 8.3591 119.2280 59.4850 29.3963 178.4763 32 N 4.5499 8.2859 115.0212 55.5571 38.7392 176.3778 33 M 4.3162 7.8514 118.7026 55.5145 32.4872 177.1325 34 G 4.0531 8.0657 107.8705 45.2087 0.0000 174.3446 35 I 3.7998 7.5906 122.7222 62.0145 37.6589 176.1719 36 E 4.3610 8.6085 120.9431 55.7407 30.5681 173.3024 37 Y 4.8308 7.4296 117.9552 54.7306 40.9278 173.9318 38 D 4.7596 8.6521 119.9276 52.7925 42.6633 175.8211 39 Y 4.3721 9.0241 130.6768 62.0370 38.7910 178.9021 40 Q 4.0548 8.4745 120.7230 60.1233 28.1524 179.7307 41 D 4.5273 8.0503 119.7550 57.5441 41.2933 178.5060 42 I 3.6549 7.8317 120.3335 64.2906 37.0453 177.7436 43 Y 3.7745 8.0739 120.7002 60.7864 38.6475 178.2302 44 S 4.2697 8.7849 114.3627 61.4561 62.6186 176.3076 45 R 3.9331 8.2386 120.8797 59.2247 29.7944 179.1077 46 V 3.5953 7.9556 118.2155 65.9562 31.4996 177.9460 47 K 4.0651 8.2300 119.2682 59.5307 31.9293 178.4014 48 N 4.3392 8.3015 116.7525 56.2357 38.6404 177.3479 49 K 3.9555 7.9872 120.3111 59.4986 32.4206 178.5426 50 F 4.1803 8.6921 121.3314 61.6099 39.2612 176.8044 51 D 4.2513 8.8043 118.7628 57.2325 40.3621 178.5347 52 F 3.9722 7.8620 119.9998 61.1379 39.4573 177.2067 53 V 3.6627 7.6448 118.7207 66.8821 31.7679 178.3593 54 M 4.0364 7.5445 120.0402 58.9887 31.3009 178.7685 55 D 4.6583 7.8996 121.1310 54.2624 42.2096 176.7354 56 D 5.0826 7.0611 116.5151 51.5634 41.8165 178.0635 57 S 4.7724 7.9451 118.9170 57.4576 64.8494 177.7363 58 G 3.6809 7.4780 109.7005 47.3559 0.0000 174.1991 59 V 4.4285 6.9295 115.2175 60.3731 31.5378 173.6154 60 K 4.2905 7.3448 128.6754 56.2988 38.3747 176.0867 61 N 4.3561 7.8716 116.8471 56.5292 38.7393 176.2237 62 N 4.2648 7.6530 118.8882 56.1694 39.1173 175.2474 63 P 4.2995 0.0000 0.0000 66.1556 31.4573 179.3340 64 I 3.8287 8.4537 119.4578 64.9972 35.3956 180.1138 65 G 3.9351 8.2690 108.0686 47.7937 0.0000 175.9257 66 K 3.9979 8.1113 120.6220 59.0128 32.0918 179.3378 67 A 3.9951 8.0148 121.1142 55.2666 18.2961 179.7605 68 I 3.7038 8.1964 118.7164 64.8424 37.0241 178.7717 69 T 3.8854 7.9424 116.6000 66.6881 68.2353 176.8115 70 I 3.7527 7.8844 121.7807 64.5017 37.1756 178.2653 71 D 4.4159 8.6751 120.1075 57.3056 40.3401 178.9113 72 Q 3.9903 8.0722 117.8820 58.8606 28.7901 178.2259 73 A 4.1402 7.5913 120.7325 55.0176 18.4633 179.4682 74 L 4.1056 7.9012 119.1121 57.6973 42.2196 178.7673 75 N 4.3518 7.8721 115.2974 52.2709 38.2434 176.1547 *90 D 4.5976 8.1304 119.3685 53.4655 40.7105 174.4647 91 T 4.4784 7.6953 112.5021 64.1695 70.1274 176.6524 92 S 4.0650 8.3379 116.6021 61.5089 63.3235 176.3771 93 R 3.8005 8.1394 122.4925 57.9717 29.7464 174.8054 94 P 4.5081 0.0000 0.0000 62.0345 30.4463 175.1888 95 A 5.0685 8.1122 135.0000 53.1366 19.4050 179.0431 96 K 3.9945 7.3203 115.0366 59.7451 32.2168 179.7690 97 L 4.1247 7.8881 118.9610 57.5354 41.2991 179.2037 98 D 4.3060 7.8987 117.8169 57.4698 41.3518 177.9780 99 E 4.0095 8.4976 119.3870 59.5231 29.3957 179.1401 100 D 4.4129 8.4764 119.2863 57.1052 40.9542 178.8599 101 V 3.6241 7.7341 118.6873 66.0478 31.5904 177.8897 102 N 4.3434 7.9383 116.3502 56.0514 38.3102 177.3352 103 K 3.9082 7.9986 120.8982 59.4942 32.3045 178.7144 104 L 3.9727 8.2823 119.5891 57.9305 41.5219 179.5837 105 R 3.9285 7.8060 117.4412 59.7980 29.9847 179.0550 106 M 4.0198 7.9437 117.9124 58.5393 31.6997 178.7289 107 M 4.0523 8.1298 118.1289 58.4201 32.4834 178.5537 108 L 4.1197 8.2436 119.3641 57.7637 41.8413 179.2116 109 S 4.2296 8.6141 113.8257 61.7491 62.0616 176.5793 110 S 4.2812 8.2735 117.6502 61.5815 62.6416 176.1958 111 K 4.4143 7.7399 125.1248 56.5697 31.6110 181.5832 112 G 4.1321 8.1946 107.1743 46.5556 0.0000 174.8386 113 I 4.2188 7.1196 121.5623 59.1482 36.3842 175.4548 114 D 4.6783 7.9635 126.4032 52.3079 41.8560 176.7363 115 Q 4.0400 8.7415 119.6456 60.2444 28.3061 179.3201 116 K 3.9151 8.1330 125.1399 59.8047 31.6185 180.5533 117 M 4.2631 8.0075 119.9819 58.2672 31.9865 179.0099 118 R 3.9042 7.9108 118.1342 59.4278 30.1981 179.0229 119 V 3.5735 8.3789 118.0717 66.1451 31.5857 177.8510 120 L 4.2055 7.9257 117.9196 58.1112 41.3749 179.2838 121 N 4.3911 8.5438 115.8957 56.4981 38.9309 176.3734 122 A 4.1869 7.9991 121.3724 54.4296 18.8992 178.5182 123 C 4.0663 8.2521 114.1380 59.9360 28.5961 173.1766 124 F 5.3713 7.5662 118.3322 55.7418 43.1576 173.9898 125 S 4.9192 8.9258 116.2837 56.5816 65.4914 173.0788 126 V 5.0461 8.6067 124.7172 61.7113 34.2682 175.0722 127 K 4.8398 9.0393 129.7906 53.2307 35.8636 176.2109 128 R 3.7164 8.7450 117.1658 60.0760 29.2108 175.2695 129 I 3.1195 6.8959 126.1025 60.0625 34.5192 173.7519 130 P 3.4668 0.0000 0.0000 63.1923 32.0982 177.9518 131 G 3.9661 9.0016 112.8822 45.5844 0.0000 173.4275 132 K 4.6104 7.5776 115.7576 55.0512 37.2076 177.2551 133 S 4.7203 8.2375 114.8695 56.4985 62.0856 171.8235 134 S 4.6511 7.1888 113.9549 58.5090 66.3213 174.9112 135 S 5.1338 8.6145 117.0139 57.4888 66.7790 174.4197 136 I 4.4627 8.6220 122.1211 59.0674 37.4513 175.5524 137 I 5.0092 8.5393 130.5105 59.1537 39.4928 175.9484 138 K 4.8733 8.8969 129.0928 53.5264 36.2645 172.4955 139 C 4.7428 8.8158 119.9381 59.7848 29.4625 173.7254 140 T 4.3822 7.7592 113.4090 60.3036 71.0487 175.7099 141 K 4.0042 8.5402 119.6320 59.4473 31.9256 179.5425 142 L 3.9569 7.5217 118.5006 57.8155 41.4598 179.1746 143 M 3.8496 7.7163 117.6442 58.5071 32.2600 178.0149 144 R 3.8847 7.7605 118.2513 59.7521 30.0985 178.8200 145 D 4.3895 7.8892 116.7537 57.1366 41.0195 178.7538 146 K 4.1230 7.7979 118.8033 59.1763 32.0917 179.2711 147 L 3.9519 8.0553 119.3411 57.9712 41.4841 179.3255 148 E 4.1515 8.0329 116.1506 58.4554 29.5064 177.0623 149 R 4.3617 7.8205 114.5717 55.4922 33.1231 176.2318 150 G 4.0054 7.7829 111.4944 45.7457 0.0000 173.1050 151 E 4.6370 8.7195 123.3141 54.2431 33.2978 172.9461 152 V 3.8058 8.6279 124.2426 60.5443 32.4152 173.5519 153 E 4.3448 8.7070 119.5907 55.2028 29.7529 173.4160 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 8.20 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 3 S 7.82 5.00 0.00 4.05 4.05 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 4 M 8.83 4.55 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 5 E 8.64 4.89 0.00 1.95 1.85 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 2.22 2.23 0.00 6 S 8.47 4.25 0.00 4.04 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 0.00 7 T 8.58 3.86 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 1.21 0.00 0.00 8 Q 8.66 3.95 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 9 Q 8.01 3.99 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 10 M 8.17 4.16 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 11 A 8.35 4.02 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 12 V 7.87 3.68 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 0.99 0.00 0.00 0.99 0.00 0.00 13 S 7.88 4.49 0.00 4.10 4.13 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 14 I 7.48 3.80 2.11 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 1.55 1.12 0.96 0.00 0.00 15 I 7.68 4.00 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.57 1.16 0.00 0.00 16 N 8.68 4.43 0.00 2.79 2.95 0.00 0.00 7.14 7.60 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 17 S 8.26 4.21 0.00 4.10 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 18 S 7.84 4.08 0.00 4.18 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 19 F 7.85 3.32 0.00 2.18 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 20 E 8.11 3.58 0.00 2.15 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 2.62 2.52 0.00 21 A 8.12 3.90 1.32 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 22 A 7.79 3.78 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 23 V 7.15 3.18 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 0.85 0.00 0.00 -0.10 0.00 0.00 24 V 7.59 3.51 2.16 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 1.08 0.00 0.00 1.01 0.00 0.00 25 A 8.02 3.90 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 26 A 7.90 3.80 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 27 T 7.81 3.05 4.14 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 0.00 0.00 0.00 0.97 0.00 0.00 28 S 8.29 4.06 0.00 3.95 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 29 A 7.84 3.95 1.33 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 30 L 7.68 4.06 0.00 1.60 1.75 0.68 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.36 4.14 0.00 2.45 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 2.40 2.51 0.00 32 N 8.29 4.55 0.00 2.87 2.87 0.00 0.00 7.07 7.19 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 33 M 7.85 4.32 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 34 G 8.07 4.05 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 0.00 35 I 7.59 3.80 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 1.00 0.00 0.00 36 E 8.61 4.36 0.00 1.99 1.73 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 2.21 1.86 0.00 37 Y 7.43 4.83 0.00 3.05 2.98 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 38 D 8.65 4.76 0.00 2.85 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 39 Y 9.02 4.37 0.00 3.25 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 40 Q 8.47 4.05 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 41 D 8.05 4.53 0.00 2.87 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 42 I 7.83 3.65 1.68 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 1.66 0.44 0.71 0.00 0.00 43 Y 8.07 3.77 0.00 2.69 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 44 S 8.78 4.27 0.00 4.06 4.13 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 45 R 8.24 3.93 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 46 V 7.96 3.60 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 0.87 0.00 0.00 0.85 0.00 0.00 47 K 8.23 4.07 0.00 1.93 1.96 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.63 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.23 7.81 48 N 8.30 4.34 0.00 3.08 2.88 0.00 0.00 6.68 6.25 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 49 K 7.99 3.96 0.00 1.94 1.87 0.00 1.58 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.58 7.81 50 F 8.69 4.18 0.00 3.27 3.23 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 51 D 8.80 4.25 0.00 2.87 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 52 F 7.86 3.97 0.00 3.08 3.25 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 53 V 7.64 3.66 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 0.79 0.00 0.00 1.12 0.00 0.00 54 M 7.54 4.04 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 55 D 7.90 4.66 0.00 2.48 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 56 D 7.06 5.08 0.00 2.74 2.45 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 57 S 7.95 4.77 0.00 3.83 3.86 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 0.00 0.00 0.00 58 G 7.48 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 0.00 0.00 0.00 59 V 6.93 4.43 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 0.74 0.00 0.00 0.86 0.00 0.00 60 K 7.34 4.29 0.00 1.68 1.61 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.30 7.81 61 N 7.87 4.36 0.00 2.83 2.75 0.00 0.00 6.76 6.71 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 62 N 7.65 4.26 0.00 2.99 2.81 0.00 0.00 7.17 7.59 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 63 P 0.00 4.30 0.00 2.28 2.08 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 64 I 8.45 3.83 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 1.45 0.73 0.91 0.00 0.00 65 G 8.27 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 0.00 0.00 0.00 66 K 8.11 4.00 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.75 7.81 67 A 8.01 4.00 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 68 I 8.20 3.70 2.01 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 0.86 0.91 0.00 0.00 69 T 7.94 3.89 4.41 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 1.21 0.00 0.00 70 I 7.88 3.75 2.04 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 0.79 0.91 0.00 0.00 71 D 8.68 4.42 0.00 2.75 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 72 Q 8.07 3.99 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 73 A 7.59 4.14 1.32 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 74 L 7.90 4.11 0.00 1.81 1.74 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.87 4.35 0.00 2.69 2.61 0.00 0.00 7.10 7.92 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 *90 D 8.13 4.60 0.00 2.78 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 91 T 7.70 4.48 4.35 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 1.23 0.00 0.00 92 S 8.34 4.06 0.00 4.00 4.14 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 0.00 0.00 0.00 0.00 93 R 8.14 3.80 0.00 1.82 1.98 0.00 3.09 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 94 P 0.00 4.51 0.00 2.22 2.08 0.00 3.86 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 2.08 1.96 0.00 95 A 8.11 5.07 1.43 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 96 K 7.32 3.99 0.00 1.96 1.88 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.64 7.81 97 L 7.89 4.12 0.00 1.73 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.90 4.31 0.00 2.75 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 99 E 8.50 4.01 0.00 2.25 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 2.36 2.49 0.00 100 D 8.48 4.41 0.00 2.69 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 0.00 101 V 7.73 3.62 2.28 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 1.03 0.00 0.00 0.97 0.00 0.00 102 N 7.94 4.34 0.00 2.92 2.85 0.00 0.00 6.67 6.77 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 0.00 103 K 8.00 3.91 0.00 1.87 1.98 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.60 7.81 104 L 8.28 3.97 0.00 1.69 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.81 3.93 0.00 2.06 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 106 M 7.94 4.02 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 107 M 8.13 4.05 0.00 1.98 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.62 0.00 108 L 8.24 4.12 0.00 1.90 1.72 0.92 0.66 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 0.00 109 S 8.61 4.23 0.00 3.95 4.05 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 0.00 110 S 8.27 4.28 0.00 4.05 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 0.00 111 K 7.74 4.41 0.00 1.90 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.32 7.81 112 G 8.19 4.13 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 0.00 113 I 7.12 4.22 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.92 0.00 0.00 114 D 7.96 4.68 0.00 2.95 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 0.00 115 Q 8.74 4.04 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 116 K 8.13 3.92 0.00 1.78 1.88 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.12 7.81 117 M 8.01 4.26 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 118 R 7.91 3.90 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 119 V 8.38 3.57 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 0.94 0.00 0.00 120 L 7.93 4.21 0.00 1.89 1.85 0.95 0.69 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 0.00 121 N 8.54 4.39 0.00 2.76 2.91 0.00 0.00 7.26 7.73 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 0.00 122 A 8.00 4.19 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 123 C 8.25 4.07 0.00 2.70 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 0.00 0.00 0.00 0.00 124 F 7.57 5.37 0.00 2.99 2.86 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 0.00 0.00 0.00 125 S 8.93 4.92 0.00 3.94 3.97 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 0.00 0.00 0.00 126 V 8.61 5.05 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 0.84 0.00 0.00 0.95 0.00 0.00 127 K 9.04 4.84 0.00 1.41 1.59 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.22 7.81 128 R 8.75 3.72 0.00 1.91 2.09 0.00 3.07 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 129 I 6.90 3.12 2.04 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 0.97 0.91 0.00 0.00 130 P 0.00 3.47 0.00 2.06 1.75 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 2.02 2.14 0.00 131 G 9.00 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.58 4.61 0.00 1.87 1.67 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 133 S 8.24 4.72 0.00 3.94 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 0.00 134 S 7.19 4.65 0.00 3.84 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 0.00 135 S 8.61 5.13 0.00 3.70 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 0.00 136 I 8.62 4.46 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 0.82 0.91 0.00 0.00 137 I 8.54 5.01 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.01 0.83 0.00 0.00 138 K 8.90 4.87 0.00 1.40 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.26 7.81 139 C 8.82 4.74 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.76 4.38 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 1.18 0.00 0.00 141 K 8.54 4.00 0.00 1.79 1.87 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 142 L 7.52 3.96 0.00 1.64 1.64 0.89 0.70 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 0.00 143 M 7.72 3.85 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.11 0.00 144 R 7.76 3.88 0.00 2.02 1.96 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 145 D 7.89 4.39 0.00 2.78 2.71 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 0.00 146 K 7.80 4.12 0.00 1.96 1.84 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.67 7.81 147 L 8.06 3.95 0.00 1.88 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.03 4.15 0.00 2.11 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 2.35 2.48 0.00 149 R 7.82 4.36 0.00 1.91 1.71 0.00 3.19 0.00 0.00 3.22 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 150 G 7.78 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 0.00 151 E 8.72 4.64 0.00 1.94 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 2.11 1.84 0.00 152 V 8.63 3.81 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 0.86 0.00 0.00 0.93 0.00 0.00 153 E 8.71 4.34 0.00 1.97 1.73 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 2.17 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.