NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.3138 8.3549 109.7058 45.1407 0.0000 173.0749 1 S 4.2728 7.3390 119.3450 55.4408 67.4051 171.9313 2 F 4.9464 9.7794 127.0559 57.8546 41.0386 174.4386 3 T 4.0039 7.6913 123.2933 60.7246 70.2287 172.1473 4 P 4.0873 0.0000 0.0000 62.5911 31.7255 177.7159 5 S 4.6177 7.6119 119.4267 55.4587 63.4025 173.2709 6 G 4.1422 7.3843 107.4591 46.5723 0.0000 169.9090 7 T 4.6451 7.9055 109.7142 61.0910 71.4884 173.6305 8 T 4.9994 8.4394 118.8701 62.1074 69.9968 174.7071 9 G 4.2250 9.2824 114.1624 45.0325 0.0000 172.1581 10 T 5.1221 8.1623 114.1151 60.5638 70.8541 173.1215 11 T 4.4524 8.9979 125.8484 62.1066 70.2654 173.2984 12 K 5.0546 8.5519 126.3254 54.4696 34.1386 175.8501 13 L 4.8852 9.1123 126.8172 53.6044 45.8618 175.3505 14 T 4.9465 8.8378 123.2082 61.7096 69.8527 173.5480 15 V 4.4392 8.4205 127.9190 63.2155 33.0797 174.9533 16 T 5.0436 8.8237 116.4549 60.3504 72.9826 172.8298 17 E 4.6922 8.5966 121.5552 55.0321 30.5941 176.4915 18 E 3.9256 8.7455 120.3701 59.3440 29.4402 176.4842 19 C 4.3477 7.8103 119.0515 57.7453 30.1924 170.4832 20 Q 4.3220 8.2043 122.0965 54.1246 29.3765 176.3470 21 V 3.9903 8.1293 123.6989 60.9057 31.0938 175.1871 22 R 4.1416 8.2953 126.6412 55.5070 29.2820 176.5705 23 V 4.1747 8.1211 122.7069 61.9370 33.7435 177.8309 24 G 3.7586 8.4468 112.1513 45.5940 0.0000 172.7329 25 D 4.4720 8.6437 121.2204 54.6702 41.4670 175.2519 26 L 4.5948 8.1555 121.9153 53.8308 43.3682 175.3556 27 T 4.5722 7.9064 114.0636 59.7494 72.1235 172.8580 28 V 3.8455 8.0040 119.8544 63.0098 31.9973 174.6414 29 A 5.2711 8.5252 129.7918 50.1151 21.4920 175.3352 30 K 4.7290 8.6896 120.6568 54.9157 37.0124 176.4472 31 T 5.1066 8.4191 113.5076 60.4685 70.2040 175.6911 32 R 3.8676 8.7478 122.0758 59.4933 30.3728 179.3828 33 G 3.6593 8.1129 105.6818 48.6842 0.0000 174.3944 34 Q 4.1992 7.9736 116.8986 57.1942 29.2793 176.3998 35 L 4.3150 7.7250 120.2950 54.8172 41.6568 177.0007 36 T 4.5536 7.5715 108.8477 60.5087 70.2513 173.1951 37 D 4.4429 8.3046 121.0382 55.4128 41.5719 176.3657 38 A 3.7413 8.8757 126.7245 52.0265 17.9162 177.9827 39 A 4.2213 7.6560 118.6052 51.7505 19.3730 175.1875 40 P 4.8255 0.0000 0.0000 61.7716 32.5790 174.2543 41 I 4.3647 8.8302 127.7082 61.4693 37.4706 179.6496 42 G 4.2439 8.5660 125.1535 45.3237 0.0000 168.8550 43 P 5.1468 0.0000 0.0000 61.0310 34.6683 173.6175 44 V 4.4078 8.6725 122.7750 61.3255 33.7606 174.3308 45 T 4.6121 8.5025 118.6537 60.8930 69.8682 174.1331 46 V 4.5767 8.5825 126.1905 61.0219 35.0860 174.2778 47 Q 4.5709 8.5674 127.2173 54.9078 31.9573 172.8783 48 A 5.1318 8.5721 128.4606 50.4321 21.1485 176.1447 49 L 4.6175 8.0611 119.7265 53.9118 45.3115 176.9743 50 G 3.9388 8.9004 111.7292 47.5070 0.0000 173.0359 51 C 4.8886 8.6155 111.9595 59.1893 29.2972 176.0852 52 N 4.5864 8.3163 115.9509 54.6253 38.8626 175.9837 53 A 4.7788 7.8202 117.9856 51.3367 20.4848 175.6976 54 R 4.6046 7.6429 115.0811 55.1301 35.2809 174.4592 55 Q 4.4137 8.5070 119.9811 54.5046 30.0634 175.5672 56 V 4.2096 8.4080 124.6803 63.6352 32.3055 174.5936 57 A 5.5992 9.7107 127.8479 50.7587 23.5081 174.6810 58 L 5.2307 9.1359 119.0446 52.7786 45.5709 175.5849 59 K 4.6367 8.7515 124.6311 54.3638 34.3169 174.9609 60 A 5.4797 8.3668 129.5080 50.3110 20.0288 176.7698 61 D 4.6643 8.7267 119.8970 54.5920 41.6715 178.0193 62 T 3.9648 8.9054 111.2691 64.5591 68.7053 174.3966 63 D 4.8704 8.0375 119.7985 53.2159 39.3044 176.2327 64 N 4.5817 8.5955 114.4773 51.9318 40.0946 173.8046 65 F 4.5755 6.9303 111.6479 55.6648 40.5241 173.4985 66 E 4.2487 9.2640 119.0482 56.6783 32.5842 176.7707 67 Q 3.5895 8.9196 124.4688 57.1965 28.4532 174.0188 *69 K 4.0820 7.6268 116.1562 56.1810 33.4927 174.5570 70 F 5.3476 8.4141 121.9643 56.6308 40.8724 174.6723 71 F 5.2652 8.2951 114.4053 56.0700 41.3555 173.0685 72 L 4.6327 9.0496 121.6438 54.5052 43.2775 175.5184 73 I 4.9186 8.6447 123.3543 59.2995 40.4082 175.0530 74 S 4.0234 8.8721 123.8421 57.7385 63.0421 174.7830 75 D 4.4893 8.0272 124.3718 56.8645 40.1467 177.5295 76 N 4.4657 7.9507 114.9529 52.5995 37.9393 175.4967 77 N 4.3823 8.5115 115.5911 54.2253 36.5813 174.2697 78 R 4.2079 6.8949 116.8615 56.7183 32.1442 175.9314 79 D 4.6933 8.3301 114.8125 54.8849 42.7011 176.1076 80 K 5.1811 8.5053 120.5949 55.0056 36.0204 175.3478 81 L 4.6112 8.7427 125.1539 53.3338 44.1041 174.9308 82 Y 4.8786 8.7067 125.3521 58.3211 38.8454 175.7003 83 V 5.1206 8.8735 116.7417 59.8604 36.2621 174.4777 84 N 5.0535 9.5962 119.9178 51.6870 41.2173 174.0729 85 I 4.5381 8.1979 124.3942 59.4758 38.7898 175.1873 86 R 4.7158 8.5363 123.7239 53.4241 32.9488 173.2347 87 P 4.7375 0.0000 0.0000 63.2874 31.9454 176.3571 88 M 4.4337 9.4453 121.8660 58.6928 32.1428 177.3157 89 D 4.6768 8.3206 118.1168 53.4353 40.3034 175.8832 90 N 4.8861 8.5879 117.3583 53.4343 38.6592 175.9382 91 S 4.2439 8.0913 112.2338 58.6394 63.7392 173.0256 92 A 4.6759 8.2706 123.1420 50.7485 20.2321 176.3497 93 W 4.8370 8.7118 121.2066 54.9524 33.6701 174.7052 94 T 4.4532 7.9950 117.0319 61.9793 71.9652 173.3893 95 T 4.9374 8.3758 121.1981 62.1152 70.5826 174.0108 96 D 4.4768 9.0700 126.6262 52.8746 42.1656 172.7119 97 N 4.3716 9.6126 121.1260 53.9882 35.6486 175.1335 98 G 2.1519 7.4194 105.7210 44.4487 0.0000 170.5473 99 V 4.5476 6.9974 120.0932 61.1475 34.0260 174.3821 100 F 5.8280 9.9054 130.2915 55.4855 40.7083 173.0025 101 Y 5.2529 7.3891 122.8748 54.4804 39.8544 174.7305 102 K 2.7924 8.4096 122.8292 55.4314 32.6799 177.9258 103 N 4.5257 8.4006 124.8363 55.1853 38.7881 175.0819 104 D 4.8983 6.7827 116.2106 51.8453 43.5313 176.4482 105 V 4.5169 7.6788 116.1376 61.0073 32.2773 174.3727 106 G 4.0946 7.4495 106.2294 43.7746 0.0000 174.9386 107 S 4.5559 8.1391 119.7512 56.9718 61.8572 174.4768 108 W 4.3233 7.9274 132.0969 57.9040 31.6689 174.9581 109 G 4.0406 6.3872 110.6513 46.1395 0.0000 171.9854 110 G 3.7467 6.6495 114.0710 46.0354 0.0000 170.9992 111 T 5.2199 8.5706 116.4872 61.8957 71.7321 173.7076 112 I 4.5484 8.7802 127.3549 59.4706 39.1429 175.2624 113 G 3.8691 9.2467 116.1295 45.8155 0.0000 171.7385 114 I 4.7265 7.4938 124.4969 59.4772 39.5202 174.3865 115 Y 5.2181 8.4782 124.3049 55.6346 42.1975 175.3093 116 V 3.8973 9.2370 123.5475 63.3110 32.7854 174.8017 117 D 4.8150 9.3686 129.4908 53.6947 40.4147 174.6192 118 G 4.0735 10.4484 115.3146 44.7630 0.0000 171.4178 119 Q 4.1966 8.5763 120.6988 56.8035 29.4955 177.0938 120 Q 4.6424 8.8333 123.6148 55.1573 29.3372 176.5030 121 T 4.3954 7.8641 105.1168 63.1127 69.4005 174.9949 122 N 4.7376 7.7941 118.4111 53.2187 39.1840 174.9684 123 T 3.8755 7.5562 116.5197 62.9201 68.7794 172.4039 124 P 4.4012 0.0000 0.0000 62.0576 31.8594 174.5887 125 P 4.4743 0.0000 0.0000 62.2347 32.0941 177.1411 126 G 3.7887 7.0953 106.6240 45.5907 0.0000 170.3863 127 N 5.2077 7.9464 117.9674 52.0131 40.5152 173.7754 128 Y 5.0138 9.1222 122.3222 56.8394 40.7888 175.2861 129 T 5.2307 8.7254 117.5766 62.1494 73.9554 173.2121 130 L 4.9464 8.5554 124.9675 53.4610 45.2117 174.8091 131 T 4.9612 8.4671 123.6604 62.3100 70.7477 174.0309 132 L 5.2058 8.9934 125.4548 53.2502 45.8424 175.4912 133 T 5.0456 8.8766 120.2424 61.5574 71.5134 174.4035 134 G 4.1829 9.1420 113.1398 45.8409 0.0000 173.2581 135 G 4.2599 7.3370 106.8587 46.3689 0.0000 170.4834 136 Y 5.5931 6.8421 117.1959 54.8977 41.4961 174.3430 137 W 5.2768 8.8628 130.3956 55.6661 32.8677 175.7084 138 A 3.8708 7.0545 126.8313 52.7452 19.8479 176.0817 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 0 G 8.35 3.31 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 0.00 1 S 7.34 4.27 0.00 3.45 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 2 F 9.78 4.95 0.00 3.43 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 3 T 7.69 4.00 2.69 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 0.00 0.00 0.00 0.66 0.00 0.00 4 P 0.00 4.09 0.00 1.88 2.09 0.00 3.49 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 5 S 7.61 4.62 0.00 3.75 3.67 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 6 G 7.38 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 0.00 0.00 0.00 7 T 7.91 4.65 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 8 T 8.44 5.00 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 1.29 0.00 0.00 9 G 9.28 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 0.00 0.00 0.00 0.00 10 T 8.16 5.12 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 11 T 9.00 4.45 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 1.14 0.00 0.00 12 K 8.55 5.05 0.00 1.62 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 13 L 9.11 4.89 0.00 1.69 1.48 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.84 4.95 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 15 V 8.42 4.44 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 0.92 0.00 0.00 0.69 0.00 0.00 16 T 8.82 5.04 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 1.23 0.00 0.00 17 E 8.60 4.69 0.00 1.99 1.94 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 2.31 2.24 0.00 18 E 8.75 3.93 0.00 1.90 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 0.00 2.30 2.38 0.00 19 C 7.81 4.35 0.00 2.97 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 20 Q 8.20 4.32 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 21 V 8.13 3.99 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 0.85 0.00 0.00 0.93 0.00 0.00 22 R 8.30 4.14 0.00 1.84 1.90 0.00 3.25 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 23 V 8.12 4.17 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 0.79 0.00 0.00 0.93 0.00 0.00 24 G 8.45 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 0.00 0.00 0.00 25 D 8.64 4.47 0.00 2.65 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 26 L 8.16 4.59 0.00 1.59 1.54 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.91 4.57 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 1.21 0.00 0.00 28 V 8.00 3.85 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 0.97 0.00 0.00 0.91 0.00 0.00 29 A 8.53 5.27 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 30 K 8.69 4.73 0.00 1.72 1.62 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.57 7.81 31 T 8.42 5.11 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 32 R 8.75 3.87 0.00 1.95 2.10 0.00 3.14 0.00 0.00 3.68 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 33 G 8.11 3.66 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 0.00 0.00 0.00 34 Q 7.97 4.20 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.61 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 35 L 7.72 4.32 0.00 1.88 1.62 0.85 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.57 4.55 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 37 D 8.30 4.44 0.00 2.75 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 38 A 8.88 3.74 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 39 A 7.66 4.22 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 40 P 0.00 4.83 0.00 2.05 2.28 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 41 I 8.83 4.36 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.85 0.00 0.00 42 G 8.57 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 0.00 0.00 0.00 43 P 0.00 5.15 0.00 1.96 1.87 0.00 3.66 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 44 V 8.67 4.41 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 1.03 0.00 0.00 0.83 0.00 0.00 45 T 8.50 4.61 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 1.17 0.00 0.00 46 V 8.58 4.58 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 1.22 0.00 0.00 1.11 0.00 0.00 47 Q 8.57 4.57 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 48 A 8.57 5.13 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 49 L 8.06 4.62 0.00 1.60 1.56 1.00 0.91 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 50 G 8.90 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 51 C 8.62 4.89 0.00 2.96 2.90 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 52 N 8.32 4.59 0.00 2.68 2.86 0.00 0.00 6.91 7.35 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 53 A 7.82 4.78 1.14 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 0.00 0.00 54 R 7.64 4.60 0.00 1.52 1.59 0.00 2.21 0.00 0.00 2.83 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 0.00 55 Q 8.51 4.41 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 56 V 8.41 4.21 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 1.33 0.00 0.00 1.13 0.00 0.00 57 A 9.71 5.60 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 0.00 0.00 0.00 0.00 0.00 58 L 9.14 5.23 0.00 1.92 1.52 1.20 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.75 4.64 0.00 0.79 0.79 0.00 1.11 0.00 0.00 1.31 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.08 1.09 7.81 60 A 8.37 5.48 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 61 D 8.73 4.66 0.00 2.73 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 62 T 8.91 3.96 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 1.26 0.00 0.00 63 D 8.04 4.87 0.00 2.87 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 64 N 8.60 4.58 0.00 2.92 2.74 0.00 0.00 6.56 8.67 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 65 F 6.93 4.58 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.26 4.25 0.00 1.91 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 0.00 2.31 2.25 0.00 67 Q 8.92 3.59 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.27 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 *69 K 7.63 4.08 0.00 2.21 2.13 0.00 1.59 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.40 7.81 70 F 8.41 5.35 0.00 3.19 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 71 F 8.30 5.27 0.00 2.71 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 72 L 9.05 4.63 0.00 1.73 1.81 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.64 4.92 2.22 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.33 0.94 0.00 0.00 74 S 8.87 4.02 0.00 3.46 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 75 D 8.03 4.49 0.00 2.52 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 76 N 7.95 4.47 0.00 2.85 2.99 0.00 0.00 6.31 6.96 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 77 N 8.51 4.38 0.00 2.82 2.96 0.00 0.00 6.70 7.77 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 78 R 6.89 4.21 0.00 1.89 1.67 0.00 3.26 0.00 0.00 3.21 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 79 D 8.33 4.69 0.00 2.79 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 80 K 8.51 5.18 0.00 0.81 1.46 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.17 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.14 1.11 7.81 81 L 8.74 4.61 0.00 1.34 1.42 0.81 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.71 4.88 0.00 3.09 2.97 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 83 V 8.87 5.12 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 0.77 0.00 0.00 0.95 0.00 0.00 84 N 9.60 5.05 0.00 2.66 2.73 0.00 0.00 7.26 5.12 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 85 I 8.20 4.54 0.69 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.11 0.23 0.00 0.00 86 R 8.54 4.72 0.00 1.84 1.94 0.00 2.74 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 87 P 0.00 4.74 0.00 2.45 1.62 0.00 3.71 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.64 0.00 88 M 9.45 4.43 0.00 1.96 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.78 0.00 89 D 8.32 4.68 0.00 3.04 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 90 N 8.59 4.89 0.00 2.79 2.92 0.00 0.00 6.97 7.57 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 91 S 8.09 4.24 0.00 3.94 4.12 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 92 A 8.27 4.68 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 93 W 8.71 4.84 0.00 2.44 1.74 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 94 T 8.00 4.45 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 0.75 0.00 0.00 95 T 8.38 4.94 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 1.30 0.00 0.00 96 D 9.07 4.48 0.00 2.49 2.32 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 97 N 9.61 4.37 0.00 2.95 2.97 0.00 0.00 7.21 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 98 G 7.42 2.15 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 0.00 0.00 0.00 99 V 7.00 4.55 2.18 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 1.02 0.00 0.00 0.91 0.00 0.00 100 F 9.91 5.83 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 0.00 101 Y 7.39 5.25 0.00 3.02 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 0.00 102 K 8.41 2.79 0.00 0.79 1.00 0.00 0.92 0.00 0.00 1.21 0.00 0.00 2.51 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.21 7.81 103 N 8.40 4.53 0.00 2.56 2.77 0.00 0.00 6.80 8.44 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 0.00 104 D 6.78 4.90 0.00 2.50 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 4.52 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 0.84 0.00 0.00 0.94 0.00 0.00 106 G 7.45 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.14 4.56 0.00 3.91 4.03 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 0.00 108 W 7.93 4.32 0.00 3.40 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 0.00 109 G 6.39 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 0.00 0.00 0.00 110 G 6.65 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 0.00 111 T 8.57 5.22 4.29 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 1.21 0.00 0.00 112 I 8.78 4.55 1.87 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.04 0.60 0.00 0.00 113 G 9.25 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 0.00 114 I 7.49 4.73 1.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.97 0.78 0.00 0.00 115 Y 8.48 5.22 0.00 2.84 2.94 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 0.00 116 V 9.24 3.90 2.27 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 1.09 0.00 0.00 0.95 0.00 0.00 117 D 9.37 4.82 0.00 2.66 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 0.00 118 G 10.45 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 0.00 119 Q 8.58 4.20 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.41 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 120 Q 8.83 4.64 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 121 T 7.86 4.40 4.26 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 1.29 0.00 0.00 122 N 7.79 4.74 0.00 2.73 2.88 0.00 0.00 7.01 7.54 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 0.00 123 T 7.56 3.88 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 0.94 0.00 0.00 124 P 0.00 4.40 0.00 2.30 2.11 0.00 3.84 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 2.22 2.06 0.00 125 P 0.00 4.47 0.00 2.10 2.07 0.00 3.83 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 2.10 2.15 0.00 126 G 7.10 3.79 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 0.00 0.00 0.00 127 N 7.95 5.21 0.00 2.88 2.73 0.00 0.00 6.75 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 9.12 5.01 0.00 2.84 2.89 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 0.00 129 T 8.73 5.23 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 1.25 0.00 0.00 130 L 8.56 4.95 0.00 1.70 1.43 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.47 4.96 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 1.25 0.00 0.00 132 L 8.99 5.21 0.00 1.46 1.44 0.70 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.88 5.05 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 1.33 0.00 0.00 134 G 9.14 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 0.00 135 G 7.34 4.26 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 0.00 136 Y 6.84 5.59 0.00 3.05 3.06 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 0.00 137 W 8.86 5.28 0.00 3.13 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.05 3.87 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 * Residues marked with a * may have inaccurate shift predictions.