NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1176 8.1749 117.2918 63.2881 69.4296 172.8180 3 F 4.5246 8.3510 125.4274 55.0319 41.5193 173.5051 4 N 4.8774 10.0386 123.8898 51.8329 40.6913 174.4052 5 Q 4.2259 8.4077 122.7703 57.4382 29.6804 176.6889 6 E 3.9754 9.9513 123.6661 56.6349 28.8733 174.5019 7 Q 4.3631 7.6176 119.6348 55.1810 30.0141 174.2964 8 D 5.1872 8.4436 124.2864 53.6064 42.5604 175.3778 9 Y 4.8555 8.8836 119.9538 56.0306 41.8057 174.7117 10 W 5.4845 9.3078 121.9589 55.3300 33.8261 174.0239 11 A 4.9432 8.6769 122.7593 51.1422 22.8324 175.2675 12 G 4.3260 9.2905 105.8486 44.6634 0.0000 171.9934 13 Y 5.2728 9.0873 122.0869 56.0609 41.4852 174.0436 14 K 4.7230 9.0483 126.3906 54.7318 35.4548 175.5809 15 A 5.0697 8.0084 123.0402 51.0742 22.1503 175.4581 16 N 5.2689 8.8632 119.8920 51.4090 39.9806 174.5217 17 E 4.1541 8.9658 114.7426 58.2082 29.9981 177.0703 18 R 4.4550 7.3428 116.9946 56.8044 32.4268 175.4289 19 A 4.7391 7.4652 116.8805 51.0409 22.6462 175.0632 20 L 4.9141 8.7186 119.8064 53.8107 44.0784 176.4431 21 I 4.9923 8.9719 123.1034 60.0126 40.8451 174.1064 22 I 5.0733 9.0134 129.0386 59.6609 39.7087 174.9599 23 Q 4.9757 9.2890 127.3155 54.4934 32.4735 174.2594 24 T 4.5144 8.9413 122.8523 63.7122 69.7671 173.3356 25 W 5.3149 9.3636 125.1057 55.5918 32.8245 174.9113 26 S 4.8626 9.7972 117.4462 57.1175 67.7483 173.5543 27 G 3.7622 6.0782 105.0683 45.9382 0.0000 170.8540 28 F 4.5797 8.2495 121.7693 58.1132 42.3483 174.1465 29 G 3.8162 8.2154 121.7404 45.2577 0.0000 173.4253 30 R 4.6338 7.1634 118.2644 53.7270 33.6860 173.9787 31 Y 4.8896 7.8716 116.4576 56.6591 41.5053 174.4555 32 A 3.4999 8.9654 121.0209 49.7121 23.3148 174.0175 33 P 3.8301 0.0000 0.0000 63.1466 32.1790 176.1487 34 D 5.0201 9.1508 124.0775 52.9974 40.9368 175.9738 35 H 4.6826 8.5266 121.4215 56.3138 28.8603 176.6365 36 L 3.8997 8.1844 123.0483 57.3171 41.9869 176.4500 37 Y 4.6277 7.8005 116.9103 55.3661 38.6048 173.8832 38 P 4.6996 0.0000 0.0000 61.6631 32.4048 174.3986 39 P 4.8355 0.0000 0.0000 63.2361 32.3899 175.3439 40 H 4.7938 9.3757 123.6708 54.9636 31.2381 173.5779 41 I 4.9488 8.3865 126.9664 60.2949 38.5401 175.3027 42 L 5.0919 8.9810 125.5686 52.0319 46.5457 174.6449 43 P 4.7057 0.0000 0.0000 62.5185 32.0418 177.5672 44 L 4.1296 8.5267 119.6798 57.2153 41.6993 177.6821 45 D 4.9687 7.8027 116.8398 52.7743 39.9297 176.4615 46 T 3.9259 7.4853 115.7914 64.9611 69.2466 174.6350 47 D 4.5712 8.4681 124.6611 53.2654 41.6121 177.2178 48 N 4.2681 8.6782 118.5793 56.6592 38.5291 177.2479 49 E 3.9742 8.1973 120.0938 59.5662 29.6983 178.9268 50 T 3.8632 8.1342 115.8674 66.3011 68.5360 176.6518 51 L 3.9367 8.0522 122.4488 57.9636 42.0937 179.1581 52 G 3.5432 8.3994 106.0185 48.2256 0.0000 175.6866 53 T 3.8700 8.0008 118.6932 66.5776 68.4363 176.9200 54 T 3.9624 8.0574 117.7584 66.5983 68.3693 177.0365 55 V 3.5659 7.8048 120.2007 65.8409 31.5163 178.0131 56 L 4.0187 8.2603 119.2379 57.9485 41.2164 179.5682 57 Q 3.9636 8.1762 117.0239 58.8445 28.7729 178.3219 58 A 4.2244 8.0573 123.1281 54.6515 18.3865 179.6826 59 L 4.0418 8.4043 117.7005 57.9597 41.4716 179.6325 60 A 3.9382 8.1628 119.7367 54.7057 18.3334 178.4904 61 N 4.5474 7.5606 112.5839 52.6642 39.0301 175.3425 62 S 4.5396 7.6822 116.9324 58.2646 63.1061 173.4929 63 R 4.5838 9.1269 126.7774 55.0894 32.1730 175.3688 64 T 4.7668 8.2062 119.6264 61.8407 70.2501 174.3325 65 F 4.8429 8.3585 126.0376 56.6553 40.6625 175.7144 66 V 3.6822 8.3132 120.5984 61.9494 32.1145 174.9333 67 Y 4.0137 7.5589 127.9014 59.3813 38.7607 175.7854 68 D 4.1428 8.4392 125.4178 54.7891 39.4431 174.8976 69 S 4.3107 7.7339 115.6957 57.2599 64.9641 173.1235 70 P 4.1411 0.0000 0.0000 66.3320 30.7187 178.3437 71 E 3.6663 7.9819 117.6068 58.9408 29.3992 178.6520 72 D 4.0613 7.5981 117.5397 57.4044 41.2087 178.2412 73 Q 3.9478 7.9900 118.5217 58.9955 28.4799 178.3933 74 D 4.2546 7.7063 117.7768 57.4055 41.3473 177.8197 75 F 4.0466 7.9643 119.8459 60.3918 39.3840 176.0729 76 F 4.5945 7.7069 114.2612 56.0364 39.5724 175.9142 77 D 4.4110 7.4109 120.4614 54.2679 42.2376 176.5431 78 T 3.7945 8.5504 124.0056 66.9842 68.5494 176.2139 79 E 3.9674 8.1332 120.5037 59.0519 29.6683 178.7341 80 K 3.9438 8.3388 118.6836 59.3349 32.0281 179.2098 81 I 3.5106 7.8750 120.3998 64.3775 36.9692 178.3782 82 R 3.9031 7.9450 119.2781 59.5365 29.9557 178.3762 83 Q 3.9718 8.4069 119.6729 59.3577 29.1052 178.3726 84 R 4.0001 8.3736 119.4579 59.0836 29.9499 178.5216 85 Y 4.0624 8.2883 119.6953 60.8413 38.8725 177.7642 86 E 3.9445 8.5695 119.6817 59.4813 29.4678 179.0943 87 D 4.3579 8.3031 119.0204 57.0228 40.8036 178.6024 88 W 4.0685 8.1840 128.8918 60.3469 30.5880 178.2234 89 V 2.9740 7.9985 118.0942 65.7726 31.0208 177.7971 90 A 3.9029 7.9672 120.4822 55.1892 18.1239 179.8226 91 K 3.8981 8.1403 117.1019 59.4207 32.1274 179.4506 92 L 3.7433 7.7424 120.8030 58.0225 41.8913 178.7370 93 C 4.2662 8.1493 117.1460 62.8098 27.8638 176.3242 94 G 3.6070 7.8165 105.9203 47.9221 0.0000 175.1697 95 N 4.5898 8.2937 117.1739 54.4768 38.6646 175.7520 96 L 4.5106 7.5345 117.6325 53.9495 42.9770 177.0113 97 G 3.7130 8.2870 106.1352 45.9153 0.0000 172.8520 98 Y 4.6378 7.6569 116.3249 56.3291 39.2539 176.0069 99 K 4.4766 8.6784 121.6056 56.8137 33.9444 177.2242 100 T 4.7476 7.5459 109.4498 58.9758 72.9162 174.9489 101 R 3.8915 8.5858 120.2004 59.1880 29.6313 178.8895 102 R 3.9314 8.1620 119.0197 59.5560 29.7810 178.1749 103 A 3.9866 7.6835 118.8015 54.8737 18.4723 178.8151 104 L 2.4400 6.9257 117.4133 57.6997 42.0768 178.7604 105 F 4.6206 7.7508 115.0081 58.4466 39.2864 177.4158 106 K 4.3011 7.5708 119.3208 58.2374 32.0674 175.9681 107 N 4.7570 7.8658 118.0366 51.3634 39.2141 173.8032 *110 S 3.9652 8.3112 117.1113 57.6539 63.4042 172.8941 111 V 4.6987 8.6037 127.1118 61.2586 34.4405 173.7932 112 D 5.1247 8.8491 126.4278 52.6514 43.9044 175.3394 113 I 4.8236 8.4206 122.1523 59.1633 41.1009 174.1172 114 W 4.1271 8.6346 135.0000 55.0343 33.1627 173.4969 115 L 4.6107 8.4129 129.8475 53.4286 44.0038 174.7693 116 H 4.7477 8.3773 125.2337 55.5520 33.5156 173.2126 117 N 3.9944 9.5733 124.8747 54.3516 36.1364 175.3109 118 G 3.7317 7.7950 104.9590 45.3020 0.0000 172.1757 119 C 4.4612 7.5959 121.4696 57.9108 33.3437 172.1469 120 L 4.5271 8.4463 126.9973 53.0622 43.2053 175.4133 121 K 4.4882 8.6399 127.3277 54.9604 33.9308 175.1928 122 I 4.7131 8.5797 129.6722 59.8397 39.5488 174.8748 123 S 5.3387 9.1782 124.4818 55.1327 65.4699 173.1456 124 P 5.0808 0.0000 0.0000 62.7972 33.2691 174.5933 125 S 4.8138 8.4077 112.5852 57.7796 66.7304 172.6758 126 R 5.0452 9.2483 121.1588 54.9876 31.6642 175.6219 127 H 4.9593 9.3227 128.2534 55.4934 28.0901 174.8050 128 V 3.7588 7.7416 122.9057 62.9911 32.4725 177.0447 129 K 4.5580 7.3885 117.8600 53.6093 36.0150 176.8967 130 L 3.8442 8.4801 119.7185 57.7822 41.3562 179.3953 131 E 3.9209 7.4540 115.3742 54.9208 30.4616 175.4599 132 A 4.4029 6.8062 119.1648 50.3993 22.5079 176.0346 133 W 5.4858 8.6692 119.0664 55.1405 33.0074 174.4807 134 D 5.2773 9.1531 122.7890 51.9527 44.4378 175.4064 135 A 4.5424 8.7829 122.3041 52.3840 19.3298 177.0570 136 I 4.4840 8.1972 113.3909 59.1706 39.1038 173.9053 137 D 4.7120 8.5034 119.2596 53.7439 41.7732 176.6674 138 A 3.9546 8.6692 127.5758 53.8474 16.0987 176.8268 139 D 4.9685 7.4309 115.2804 55.4882 41.6133 176.7466 140 D 4.7137 7.9872 119.6500 54.5222 42.4513 175.2261 141 V 4.3013 8.9179 122.1759 61.4805 33.3971 174.4491 142 I 4.7190 8.3407 128.9196 59.9802 38.8377 174.6098 143 L 5.0133 8.3913 128.7363 53.8665 46.0765 175.0018 144 S 4.8058 8.6257 113.1104 58.0246 66.5208 175.0636 145 L 4.1092 8.5523 119.1646 56.3938 40.8175 178.8067 146 D 4.4029 8.0878 119.4165 56.9776 41.0217 177.0141 147 N 4.6853 7.7791 116.3145 52.6254 39.2646 175.7961 148 S 4.3589 8.5111 116.8314 57.4743 65.2146 173.5549 149 P 4.1252 0.0000 0.0000 66.0741 30.9974 178.5388 150 E 3.8397 8.0488 117.3586 59.2719 29.6571 178.5626 151 E 3.9493 8.1158 118.6156 59.3409 29.3912 179.3690 152 I 3.7144 8.0326 120.2504 64.2537 37.1612 178.6100 153 G 3.5020 8.2680 106.5276 47.7229 0.0000 175.4638 154 A 4.0921 8.1469 123.3400 54.9854 18.3484 180.0554 155 G 3.5272 8.1331 104.1117 47.5431 0.0000 176.0843 156 L 3.9198 8.0903 121.6140 57.7413 41.5717 179.7312 157 K 4.1053 8.1461 118.4403 59.1793 31.7015 179.2191 158 L 3.9334 7.9043 119.7465 58.1450 42.3585 178.6066 159 A 4.1503 8.2383 120.8679 55.0396 18.3023 179.2015 160 L 3.9525 8.3788 119.3811 58.4276 41.9516 179.3991 161 S 4.2197 8.2008 112.8530 60.9381 62.9062 175.7839 162 R 4.2993 7.6162 119.6904 56.1595 30.5022 176.5465 163 C 4.6529 7.3895 116.8872 59.8247 29.1191 173.9350 164 R 4.2740 8.8238 120.1722 56.6797 30.8224 175.2731 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 T 8.17 4.12 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 1.17 0.00 0.00 3 F 8.35 4.52 0.00 2.93 2.56 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 4 N 10.04 4.88 0.00 3.04 2.82 0.00 0.00 6.29 7.70 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 5 Q 8.41 4.23 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.88 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 6 E 9.95 3.98 0.00 2.17 2.21 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 2.25 2.42 0.00 7 Q 7.62 4.36 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 1.72 2.21 0.00 8 D 8.44 5.19 0.00 2.72 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 9 Y 8.88 4.86 0.00 2.70 3.02 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 0.00 0.00 0.00 10 W 9.31 5.48 0.00 3.26 3.07 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 11 A 8.68 4.94 1.19 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 12 G 9.29 4.33 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 0.00 13 Y 9.09 5.27 0.00 2.87 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 14 K 9.05 4.72 0.00 1.74 1.60 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 1.21 7.81 15 A 8.01 5.07 0.94 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 16 N 8.86 5.27 0.00 2.91 2.96 0.00 0.00 6.45 7.25 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 17 E 8.97 4.15 0.00 2.14 2.17 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 2.34 2.34 0.00 18 R 7.34 4.46 0.00 1.99 1.97 0.00 2.62 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 19 A 7.47 4.74 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 20 L 8.72 4.91 0.00 1.77 1.84 1.16 0.85 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 21 I 8.97 4.99 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 1.28 0.87 1.13 0.00 0.00 22 I 9.01 5.07 1.98 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.12 1.02 0.00 0.00 23 Q 9.29 4.98 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 24 T 8.94 4.51 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 1.18 0.00 0.00 25 W 9.36 5.31 0.00 3.53 3.35 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 26 S 9.80 4.86 0.00 3.28 3.18 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 27 G 6.08 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 28 F 8.25 4.58 0.00 3.25 3.27 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 29 G 8.22 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 30 R 7.16 4.63 0.00 1.80 1.72 0.00 2.99 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 31 Y 7.87 4.89 0.00 1.94 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 A 8.97 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 3.83 0.00 1.38 1.62 0.00 2.88 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.00 34 D 9.15 5.02 0.00 3.00 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 35 H 8.53 4.68 0.00 3.24 3.40 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.18 3.90 0.00 1.53 1.53 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.80 4.63 0.00 3.21 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 38 P 0.00 4.70 0.00 2.28 2.15 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 39 P 0.00 4.84 0.00 2.13 2.33 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.71 0.00 40 H 9.38 4.79 0.00 3.30 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.39 4.95 1.91 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 0.76 0.94 0.00 0.00 42 L 8.98 5.09 0.00 1.62 1.55 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.71 0.00 2.24 2.20 0.00 3.74 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 2.01 0.00 44 L 8.53 4.13 0.00 1.69 1.81 0.99 1.10 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 45 D 7.80 4.97 0.00 2.78 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 46 T 7.49 3.93 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 1.22 0.00 0.00 47 D 8.47 4.57 0.00 2.86 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 48 N 8.68 4.27 0.00 2.73 3.10 0.00 0.00 6.54 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 49 E 8.20 3.97 0.00 1.97 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 0.00 2.35 2.32 0.00 50 T 8.13 3.86 4.34 0.00 0.00 0.00 0.00 0.00 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 51 L 8.05 3.94 0.00 1.71 1.71 0.60 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.40 3.54 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 0.00 0.00 0.00 53 T 8.00 3.87 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 1.19 0.00 0.00 54 T 8.06 3.96 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 0.97 0.00 0.00 55 V 7.80 3.57 1.93 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 0.98 0.00 0.00 0.74 0.00 0.00 56 L 8.26 4.02 0.00 1.83 1.78 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.18 3.96 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 58 A 8.06 4.22 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 59 L 8.40 4.04 0.00 1.92 1.76 0.68 0.49 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 60 A 8.16 3.94 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 61 N 7.56 4.55 0.00 2.36 1.65 0.00 0.00 6.94 7.43 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 62 S 7.68 4.54 0.00 4.25 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 63 R 9.13 4.58 0.00 1.48 1.56 0.00 3.37 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 64 T 8.21 4.77 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 1.41 0.00 0.00 65 F 8.36 4.84 0.00 3.05 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 66 V 8.31 3.68 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 0.90 0.00 0.00 0.95 0.00 0.00 67 Y 7.56 4.01 0.00 1.82 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 68 D 8.44 4.14 0.00 2.49 2.60 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 0.00 0.00 0.00 0.00 69 S 7.73 4.31 0.00 4.01 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 70 P 0.00 4.14 0.00 2.22 2.31 0.00 3.66 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 2.04 2.04 0.00 71 E 7.98 3.67 0.00 1.85 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 2.45 2.37 0.00 72 D 7.60 4.06 0.00 2.94 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 73 Q 7.99 3.95 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 74 D 7.71 4.25 0.00 2.67 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 75 F 7.96 4.05 0.00 2.67 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.71 4.59 0.00 3.10 3.02 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 0.00 0.00 0.00 77 D 7.41 4.41 0.00 2.86 2.59 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 78 T 8.55 3.79 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 1.18 0.00 0.00 79 E 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 W 8.18 4.07 0.00 3.12 3.13 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 89 V 8.00 2.97 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 1.02 0.00 0.00 0.84 0.00 0.00 90 A 7.97 3.90 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 91 K 8.14 3.90 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.51 7.81 92 L 7.74 3.74 0.00 1.14 1.00 0.79 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.15 4.27 0.00 3.11 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 94 G 7.82 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 95 N 8.29 4.59 0.00 2.70 2.86 0.00 0.00 6.86 8.72 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 96 L 7.53 4.51 0.00 1.83 1.62 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.29 3.71 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 0.00 0.00 0.00 98 Y 7.66 4.64 0.00 2.91 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 99 K 8.68 4.48 0.00 1.76 1.86 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.35 7.81 100 T 7.55 4.75 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 0.00 101 R 8.59 3.89 0.00 2.36 2.32 0.00 3.06 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 102 R 8.16 3.93 0.00 1.93 2.01 0.00 3.19 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 103 A 7.68 3.99 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.35 0.87 0.00 0.00 123 S 9.18 5.34 0.00 3.78 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 0.00 124 P 0.00 5.08 0.00 2.13 2.33 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 125 S 8.41 4.81 0.00 4.26 4.11 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 0.00 126 R 9.25 5.05 0.00 1.97 1.90 0.00 3.28 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 127 H 9.32 4.96 0.00 3.34 3.29 0.00 5.82 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.74 3.76 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 0.81 0.00 0.00 0.89 0.00 0.00 129 K 7.39 4.56 0.00 1.52 1.51 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.25 7.81 130 L 8.48 3.84 0.00 1.47 1.66 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.45 3.92 0.00 1.57 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 1.47 1.78 0.00 132 A 6.81 4.40 1.02 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 0.00 0.00 0.00 0.00 0.00 133 W 8.67 5.49 0.00 3.40 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 0.00 134 D 9.15 5.28 0.00 2.61 2.57 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 0.00 135 A 8.78 4.54 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 0.00 136 I 8.20 4.48 1.92 0.00 0.00 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 1.48 0.80 1.00 0.00 0.00 137 D 8.50 4.71 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 3.95 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 0.00 139 D 7.43 4.97 0.00 2.73 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 0.00 140 D 7.99 4.71 0.00 2.61 2.59 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 0.00 141 V 8.92 4.30 2.05 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 1.00 0.00 0.00 1.00 0.00 0.00 142 I 8.34 4.72 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.82 0.00 0.00 143 L 8.39 5.01 0.00 1.42 1.64 0.84 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.63 4.81 0.00 3.87 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 0.00 145 L 8.55 4.11 0.00 1.44 1.68 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.09 4.40 0.00 2.62 2.68 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 0.00 147 N 7.78 4.69 0.00 2.76 2.68 0.00 0.00 7.05 7.11 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 0.00 148 S 8.51 4.36 0.00 4.05 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 0.00 149 P 0.00 4.13 0.00 2.14 2.20 0.00 3.56 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 2.09 2.13 0.00 150 E 8.05 3.84 0.00 1.97 1.91 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 2.41 2.32 0.00 151 E 8.12 3.95 0.00 2.18 1.93 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 2.29 2.31 0.00 152 I 8.03 3.71 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.78 0.00 0.00 153 G 8.27 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 0.00 154 A 8.15 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.13 3.53 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 0.00 0.00 0.00 156 L 8.09 3.92 0.00 1.56 1.14 0.65 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.15 4.11 0.00 1.95 1.90 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.61 7.81 158 L 7.90 3.93 0.00 1.72 1.89 0.93 0.96 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 0.00 159 A 8.24 4.15 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 0.00 160 L 8.38 3.95 0.00 1.93 2.00 0.81 1.15 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 0.00 161 S 8.20 4.22 0.00 4.09 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 0.00 162 R 7.62 4.30 0.00 2.02 2.05 0.00 3.23 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 163 C 7.39 4.65 0.00 3.16 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 0.00 164 R 8.82 4.27 0.00 1.85 1.78 0.00 3.36 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.