NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8591 8.3549 109.7200 45.7460 0.0000 172.5025 -1 H 4.4605 8.3186 115.9639 52.9161 30.8761 172.4962 -1 M 4.2105 8.1786 117.3639 53.3161 34.7761 174.6962 2 V 4.3948 9.1505 127.7011 61.1662 34.3094 174.0057 3 E 4.8601 8.7803 125.8096 53.9643 33.0414 175.4861 4 I 4.0479 8.1614 121.8047 63.1798 37.5941 176.8292 5 G 4.0180 9.5263 113.5376 45.1244 0.0000 173.5444 6 E 4.4508 7.7017 118.7407 55.1604 31.5115 175.5810 7 L 4.5596 8.3559 124.2036 54.6646 42.7659 176.4978 8 A 4.1077 8.8369 129.4666 51.3183 19.0233 175.5688 9 P 4.1039 0.0000 0.0000 62.9709 31.8496 176.0001 10 D 4.6907 8.5496 122.8839 54.4621 42.4390 174.5669 11 F 4.8498 7.5624 115.1812 56.3522 41.0519 172.3021 12 E 5.2284 8.9654 119.8824 54.8398 31.9779 174.2533 13 L 5.1160 8.9894 126.3403 52.1087 46.5802 174.1326 14 P 5.0472 0.0000 0.0000 62.8012 33.2197 176.2066 15 D 5.4039 8.9669 122.0370 51.8104 41.7242 176.7298 16 T 3.9724 8.4581 107.9640 64.0606 68.2777 174.4406 17 E 4.4380 8.9447 121.9476 55.8115 29.8493 176.7597 18 L 3.6812 7.9569 117.2615 55.0893 39.8497 174.0585 19 K 4.3423 7.5897 121.6642 55.6109 33.4754 176.2553 20 K 4.5496 8.6830 126.9415 56.4678 33.0394 176.3554 21 V 4.3451 8.9962 125.2397 60.9465 34.2255 173.8092 22 K 4.8464 8.4015 129.1907 54.6616 33.9288 176.2887 23 L 3.6774 8.0890 129.8223 58.2985 42.1498 179.4362 24 S 4.0320 8.3800 113.7254 61.0636 62.5241 175.6205 25 A 4.2252 7.4888 122.7377 53.3745 18.5075 178.1316 26 L 4.3686 7.8447 117.3569 53.1927 42.2759 176.5375 27 K 3.9932 7.1268 118.9797 58.3726 32.4286 177.2520 28 G 4.0822 9.4769 111.3413 44.8567 0.0000 173.5161 29 K 4.7324 7.4952 117.5825 54.2666 36.2880 176.3503 30 V 4.0261 8.3436 123.0823 62.8824 32.9603 174.8497 31 V 4.9736 8.9302 127.1029 61.0476 35.2355 174.2268 32 V 4.8180 8.6265 126.0297 61.1689 34.4875 174.0132 33 L 4.7759 9.2435 128.8765 53.5930 43.4005 175.6183 34 A 4.9388 8.6977 126.6273 50.0234 20.7380 174.5756 35 F 5.0521 9.4594 120.9002 58.0609 40.5379 174.8172 36 Y 5.2675 8.5313 120.3095 54.9660 40.6723 173.6235 37 P 4.6824 0.0000 0.0000 64.5802 31.7760 176.6456 38 A 4.6906 7.6795 117.3233 50.5757 21.9502 175.8632 39 A 2.8246 9.0206 126.0476 52.8615 18.8183 177.2995 40 F 4.1122 7.7968 117.2106 58.8073 36.4007 175.6284 41 T 4.1885 8.0144 117.1594 63.6172 68.8834 174.3632 42 Q 4.6199 8.5622 124.9345 54.9549 30.1098 174.0710 43 V 4.1024 7.9005 117.2359 64.3315 33.2379 176.5032 *51 F 5.0389 7.2033 121.2741 56.9712 41.4808 174.2749 52 R 4.3712 7.0996 121.0013 53.6606 33.4238 174.8936 53 D 4.5138 8.9937 124.5756 54.2545 41.9644 177.5285 54 S 4.2453 8.6675 119.4833 61.2287 62.9694 176.3528 55 M 4.4695 8.7318 122.6137 57.9822 31.6602 177.9667 56 A 4.1959 7.9606 120.8532 54.2315 18.2569 179.1902 57 K 3.7813 7.6002 116.0419 58.1091 32.1354 178.1904 58 F 4.4517 7.9322 117.4930 57.8004 38.8967 177.1944 59 N 4.7054 8.0979 116.8479 56.0055 38.4938 175.8398 60 Q 4.4615 7.8013 114.1678 55.3687 29.1320 175.4175 61 V 3.7459 7.3257 119.0685 62.7155 32.4887 176.6608 62 N 4.5697 8.4861 127.4034 51.2462 37.3486 171.9054 63 A 4.3932 7.0093 120.5657 51.3548 23.3227 176.9892 64 V 3.9387 8.3904 119.3337 62.2379 32.0883 175.0359 65 V 4.3275 8.2132 128.5858 61.7635 32.7608 175.0519 66 L 4.8631 8.9478 128.2104 52.8616 44.0976 176.0179 67 G 4.3773 9.4237 112.9020 46.1155 0.0000 171.8154 68 I 5.1382 8.8406 123.7870 59.4277 41.4760 174.5812 69 S 4.5102 8.3823 119.7587 56.8249 66.7775 174.8589 70 V 3.9956 8.0981 111.5821 61.5397 31.5016 176.6563 71 D 4.6155 7.4152 120.7001 53.1668 41.4774 175.1812 72 P 4.4410 0.0000 0.0000 62.1034 33.4188 175.6159 73 P 4.1875 0.0000 0.0000 65.1027 31.0309 178.9093 74 F 4.2830 6.7381 115.8219 60.8850 38.8534 177.8048 75 S 4.4167 8.2264 114.2170 61.7116 62.8174 176.3215 76 N 4.5073 8.4801 119.2363 55.9241 38.2172 177.4677 77 K 3.9593 8.4691 121.3665 59.5114 32.2697 178.8023 78 A 4.1681 8.0035 121.2050 55.0309 18.2902 179.4255 79 F 3.5888 8.5105 119.4310 61.1243 39.3474 177.2812 80 K 3.4985 8.4809 119.6582 59.4553 32.0896 178.6823 81 E 3.8723 8.2253 118.8255 59.5334 29.2109 178.6471 82 H 4.1920 8.3076 117.5394 58.8550 29.9736 176.0917 83 N 4.3692 7.4667 114.9760 51.3995 39.1051 174.9966 84 K 3.6691 7.3770 118.1590 57.1743 30.3265 175.6171 85 L 4.1237 7.6762 118.1875 54.4675 42.1490 177.2363 86 N 4.6730 9.2365 121.0905 52.4837 37.5900 174.0227 87 F 5.1145 6.7287 113.0790 54.9558 41.5079 174.8099 88 T 4.0887 8.6409 115.5983 63.8207 69.5173 173.6515 89 I 4.9811 8.4415 126.2807 59.6755 40.2946 174.4731 90 L 5.0125 9.3264 127.5277 53.2650 44.2513 176.0833 91 S 4.7859 8.5868 118.3147 56.3824 64.7622 174.8057 92 D 4.5855 8.5314 131.6900 52.9158 39.8439 177.1897 93 Y 4.1615 7.5744 118.2799 59.5657 38.4033 177.4051 94 N 4.6807 7.4227 116.1738 52.2726 38.9884 175.2420 95 R 4.3133 8.0164 116.0626 57.1852 28.7305 177.9457 96 E 3.8611 7.6007 120.6236 59.4984 29.5139 179.0813 97 V 3.6374 8.5252 118.6576 65.9277 31.4785 178.4353 98 V 3.5263 8.3988 112.4798 64.0415 31.2567 178.8333 99 K 3.9345 7.7415 118.3900 59.4178 31.7722 179.5449 100 K 3.5505 7.7866 117.3894 58.8558 31.9816 177.9654 101 Y 3.9573 7.9097 114.1149 56.2600 38.5572 174.7579 102 N 4.1928 7.8953 117.5201 55.3532 38.0971 174.1478 103 V 4.5027 7.9682 105.7220 60.8852 33.2577 176.0617 104 A 5.3288 8.0754 121.3258 50.8878 20.8146 177.1126 105 W 5.0659 8.8783 115.9589 55.6922 32.2289 172.6517 106 E 4.7856 8.6787 121.7388 54.2405 30.6924 175.3078 107 F 3.5128 8.7432 129.9123 57.2701 40.0579 173.6311 108 P 4.0293 0.0000 0.0000 65.7642 31.0857 177.2684 109 A 4.1584 7.0609 116.9681 52.9659 18.9218 177.2695 110 L 4.6387 7.7879 116.0994 51.3032 42.7252 173.3139 111 P 4.4337 0.0000 0.0000 64.2175 31.6266 177.3260 112 G 3.8055 10.1458 112.2305 45.5820 0.0000 172.5048 113 Y 4.3457 8.0786 122.4325 56.3686 39.4758 174.1918 114 V 4.4940 7.7831 127.5315 61.6363 33.0564 174.6969 115 L 4.7145 8.5391 126.7913 54.0090 44.6792 174.8722 116 A 4.9380 8.4679 119.9608 51.5366 20.0378 177.2602 117 K 4.3196 8.8349 120.3109 55.3525 33.8259 177.0466 118 R 4.5290 8.4229 122.6763 56.9062 30.9921 175.1513 119 A 5.3411 9.2135 126.9457 51.0566 23.5740 174.7976 120 V 5.1658 9.2570 118.9996 61.4350 35.6002 174.2905 121 F 5.5419 9.4314 125.3042 55.8714 43.0953 173.6899 122 V 4.8994 9.0751 123.5754 61.3386 33.6954 174.2917 123 I 5.2208 9.1147 128.8102 59.5239 40.2658 175.5451 124 D 5.0481 8.9177 126.8508 52.3644 41.2372 177.3593 125 K 4.1316 8.7796 116.6926 58.9767 32.0449 178.4502 126 E 4.2381 8.3828 116.3666 56.1475 30.0119 176.8401 127 G 3.9117 8.5992 108.2698 45.5473 0.0000 173.1918 128 K 4.8816 8.5040 119.3100 54.4367 33.8670 175.9761 129 V 4.3674 8.8953 123.1480 63.2936 32.0230 176.4277 130 R 4.7999 9.3964 125.6248 56.1642 32.4553 175.1402 131 Y 4.8721 7.8414 119.6092 56.2057 42.4639 173.1339 132 K 4.6158 7.5229 126.3211 54.3765 35.6776 175.0596 133 W 4.8307 8.4338 135.0000 55.8224 34.2394 173.5928 134 V 4.2125 7.5258 126.2155 60.9680 33.7818 173.9771 135 S 4.1489 7.6049 122.9685 56.2900 63.1495 173.9750 136 D 3.8818 8.4646 127.1745 56.5662 41.0434 175.8936 137 D 4.4227 7.6260 119.6571 52.2968 41.0518 174.9130 138 P 4.4329 0.0000 0.0000 65.1116 31.5461 177.2667 139 T 4.3419 8.3085 108.5281 62.6000 69.4287 175.4022 140 K 4.3464 7.6892 122.5541 56.3154 32.7616 176.0480 141 E 4.7531 8.4668 121.6374 53.6794 31.7858 174.3901 142 P 2.9700 0.0000 0.0000 60.9807 32.1146 175.9765 143 P 4.1850 0.0000 0.0000 61.7301 29.4457 175.9297 144 Y 3.9499 7.3439 124.6814 61.9197 38.1048 177.4658 145 D 4.2583 8.0098 118.1009 57.3521 41.3507 177.8203 146 E 3.8252 7.9329 119.1867 59.2531 29.6389 178.4976 147 I 3.1269 7.4894 119.8149 64.4293 37.1194 178.3288 148 E 3.9242 8.3792 119.5214 59.2325 29.2190 179.6182 149 K 3.9765 7.8624 118.6717 59.1256 31.8450 179.6456 150 V 3.5345 7.6310 117.9573 65.9466 31.8843 177.7566 151 V 3.7174 7.8928 118.2269 65.9671 31.3051 177.7785 152 K 3.9093 8.1890 119.4632 59.6090 31.8695 178.8789 153 S 4.2572 8.0144 112.7171 60.4708 62.9534 175.2647 154 L 4.4959 7.4617 120.3535 54.7076 41.9819 176.5258 155 S 4.3880 7.8515 120.8256 58.6218 62.9571 173.8869 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 8.35 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 0.00 0.00 0.00 -1 H 8.32 4.46 0.00 3.23 3.26 0.00 5.74 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 -1 M 8.18 4.21 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 V 9.15 4.39 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 0.89 0.00 0.00 0.50 0.00 0.00 3 E 8.78 4.86 0.00 2.13 1.78 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 2.21 2.37 0.00 4 I 8.16 4.05 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 1.02 0.00 0.00 5 G 9.53 4.02 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 0.00 6 E 7.70 4.45 0.00 2.06 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 2.29 2.32 0.00 7 L 8.36 4.56 0.00 1.64 1.57 0.94 1.01 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 8 A 8.84 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 1.71 1.87 0.00 2.86 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 1.32 1.82 0.00 10 D 8.55 4.69 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.56 4.85 0.00 3.04 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 12 E 8.97 5.23 0.00 1.95 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 2.21 2.45 0.00 13 L 8.99 5.12 0.00 1.69 1.50 0.65 0.65 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 14 P 0.00 5.05 0.00 2.12 2.23 0.00 3.90 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 15 D 8.97 5.40 0.00 2.92 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 16 T 8.46 3.97 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 1.30 0.00 0.00 17 E 8.94 4.44 0.00 2.10 1.98 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 2.24 2.40 0.00 18 L 7.96 3.68 0.00 1.83 1.81 1.00 0.49 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 19 K 7.59 4.34 0.00 2.05 2.00 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 20 K 8.68 4.55 0.00 1.70 1.76 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.47 7.81 21 V 9.00 4.35 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 0.95 0.00 0.00 1.01 0.00 0.00 22 K 8.40 4.85 0.00 1.81 1.57 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.31 7.81 23 L 8.09 3.68 0.00 0.45 1.23 0.81 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.38 4.03 0.00 4.03 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 25 A 7.49 4.23 1.28 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 0.00 0.00 26 L 7.84 4.37 0.00 1.81 1.67 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.13 3.99 0.00 1.76 1.76 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.54 7.81 28 G 9.48 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.50 4.73 0.00 1.76 1.67 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.35 7.81 30 V 8.34 4.03 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 1.00 0.00 0.00 0.94 0.00 0.00 31 V 8.93 4.97 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 0.94 0.00 0.00 0.99 0.00 0.00 32 V 8.63 4.82 1.98 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 0.78 0.00 0.00 0.95 0.00 0.00 33 L 9.24 4.78 0.00 1.79 1.27 0.65 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.70 4.94 0.46 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 35 F 9.46 5.05 0.00 3.16 3.11 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 36 Y 8.53 5.27 0.00 3.07 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 37 P 0.00 4.68 0.00 2.33 2.58 0.00 4.07 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 38 A 7.68 4.69 1.13 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 39 A 9.02 2.82 0.70 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 0.00 0.00 40 F 7.80 4.11 0.00 3.26 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 41 T 8.01 4.19 4.36 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 1.35 0.00 0.00 42 Q 8.56 4.62 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 43 V 7.90 4.10 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 0.88 0.00 0.00 1.03 0.00 0.00 *51 F 7.20 5.04 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.10 4.37 0.00 0.67 0.92 0.00 2.92 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.27 0.00 53 D 8.99 4.51 0.00 2.85 2.33 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 54 S 8.67 4.25 0.00 4.30 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 55 M 8.73 4.47 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.79 0.00 56 A 7.96 4.20 1.20 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 0.00 0.00 0.00 0.00 0.00 57 K 7.60 3.78 0.00 1.02 0.74 0.00 1.41 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.97 1.12 7.81 58 F 7.93 4.45 0.00 2.82 2.47 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 59 N 8.10 4.71 0.00 2.88 2.93 0.00 0.00 6.86 7.06 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 60 Q 7.80 4.46 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 61 V 7.33 3.75 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 0.73 0.00 0.00 1.01 0.00 0.00 62 N 8.49 4.57 0.00 2.69 2.73 0.00 0.00 6.90 7.96 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 63 A 7.01 4.39 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 64 V 8.39 3.94 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 0.98 0.00 0.00 0.94 0.00 0.00 65 V 8.21 4.33 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66 L 8.95 4.86 0.00 1.51 1.57 0.97 0.82 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 67 G 9.42 4.38 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 0.00 68 I 8.84 5.14 0.89 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.79 0.60 0.00 0.00 69 S 8.38 4.51 0.00 3.32 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 4.00 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 0.61 0.00 0.00 0.79 0.00 0.00 71 D 7.42 4.62 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.37 2.25 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 73 P 0.00 4.19 0.00 1.47 2.11 0.00 3.11 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 74 F 6.74 4.28 0.00 3.12 3.10 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 75 S 8.23 4.42 0.00 4.13 4.16 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 76 N 8.48 4.51 0.00 2.89 2.97 0.00 0.00 6.64 7.22 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 77 K 8.47 3.96 0.00 1.93 2.09 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.49 7.81 78 A 8.00 4.17 1.62 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 0.00 0.00 79 F 8.51 3.59 0.00 2.48 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 3.50 0.00 1.76 1.95 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.29 7.81 81 E 8.23 3.87 0.00 2.09 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 0.00 2.30 2.64 0.00 82 H 8.31 4.19 0.00 3.29 3.54 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.47 4.37 0.00 2.17 2.38 0.00 0.00 7.20 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 84 K 7.38 3.67 0.00 1.76 1.76 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.26 7.81 85 L 7.68 4.12 0.00 1.05 0.49 0.30 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 86 N 9.24 4.67 0.00 2.81 2.91 0.00 0.00 6.82 7.94 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 87 F 6.73 5.11 0.00 3.21 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 88 T 8.64 4.09 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 1.26 0.00 0.00 89 I 8.44 4.98 1.90 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 1.33 1.72 1.12 0.00 0.00 90 L 9.33 5.01 0.00 1.47 1.54 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.59 4.79 0.00 3.84 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 92 D 8.53 4.59 0.00 2.54 2.46 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 93 Y 7.57 4.16 0.00 3.06 3.05 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 94 N 7.42 4.68 0.00 2.40 2.71 0.00 0.00 7.17 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 95 R 8.02 4.31 0.00 1.99 1.90 0.00 3.22 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 96 E 7.60 3.86 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 97 V 8.53 3.64 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.49 0.00 0.00 98 V 8.40 3.53 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 0.83 0.00 0.00 0.93 0.00 0.00 99 K 7.74 3.93 0.00 1.89 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 100 K 7.79 3.55 0.00 1.93 1.70 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.59 7.81 101 Y 7.91 3.96 0.00 2.75 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 0.00 102 N 7.90 4.19 0.00 2.93 2.84 0.00 0.00 6.89 7.86 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 0.00 103 V 7.97 4.50 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 0.65 0.00 0.00 0.25 0.00 0.00 104 A 8.08 5.33 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 0.00 105 W 8.88 5.07 0.00 3.51 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 0.00 106 E 8.68 4.79 0.00 1.99 1.90 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 2.19 2.28 0.00 107 F 8.74 3.51 0.00 2.92 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 0.00 108 P 0.00 4.03 0.00 1.72 2.01 0.00 2.64 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 109 A 7.06 4.16 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 0.00 110 L 7.79 4.64 0.00 1.84 1.60 0.39 1.02 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 0.00 111 P 0.00 4.43 0.00 2.05 2.04 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 112 G 10.15 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 0.00 0.00 0.00 113 Y 8.08 4.35 0.00 3.07 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 0.00 114 V 7.78 4.49 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 0.81 0.00 0.00 0.85 0.00 0.00 115 L 8.54 4.71 0.00 1.59 1.44 0.87 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.47 4.94 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 0.00 117 K 8.83 4.32 0.00 1.45 1.61 0.00 1.52 0.00 0.00 1.38 0.00 0.00 2.59 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.57 1.40 7.81 118 R 8.42 4.53 0.00 2.13 1.91 0.00 3.58 0.00 0.00 3.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 119 A 9.21 5.34 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 0.00 120 V 9.26 5.17 2.43 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 1.25 0.00 0.00 1.22 0.00 0.00 121 F 9.43 5.54 0.00 3.14 3.09 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 0.00 122 V 9.08 4.90 2.29 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 1.06 0.00 0.00 1.01 0.00 0.00 123 I 9.11 5.22 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.99 0.00 0.00 124 D 8.92 5.05 0.00 2.83 2.87 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 0.00 125 K 8.78 4.13 0.00 1.85 1.91 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.54 1.48 7.81 126 E 8.38 4.24 0.00 2.11 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 2.27 2.36 0.00 127 G 8.60 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 0.00 128 K 8.50 4.88 0.00 2.15 1.76 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 129 V 8.90 4.37 2.34 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 1.22 0.00 0.00 1.07 0.00 0.00 130 R 9.40 4.80 0.00 1.76 2.00 0.00 3.46 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 131 Y 7.84 4.87 0.00 3.11 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 0.00 132 K 7.52 4.62 0.00 1.73 1.42 0.00 2.06 0.00 0.00 1.60 0.00 0.00 2.58 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.00 0.94 7.81 133 W 8.43 4.83 0.00 3.19 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 0.00 134 V 7.53 4.21 1.75 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 0.57 0.00 0.00 0.67 0.00 0.00 135 S 7.60 4.15 0.00 2.73 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.46 3.88 0.00 2.48 2.44 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 0.00 137 D 7.63 4.42 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.49 2.43 0.00 3.77 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 139 T 8.31 4.34 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 1.31 0.00 0.00 140 K 7.69 4.35 0.00 1.93 2.07 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.46 7.81 141 E 8.47 4.75 0.00 1.95 1.81 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 2.36 2.37 0.00 142 P 0.00 2.97 0.00 1.25 0.49 0.00 3.38 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.73 0.00 143 P 0.00 4.19 0.00 2.12 2.08 0.00 2.65 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 144 Y 7.34 3.95 0.00 2.88 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 0.00 145 D 8.01 4.26 0.00 2.76 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 0.00 146 E 7.93 3.83 0.00 2.00 1.88 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 2.25 2.37 0.00 147 I 7.49 3.13 1.85 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 0.79 0.02 0.86 0.00 0.00 148 E 8.38 3.92 0.00 2.07 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 0.00 2.30 2.59 0.00 149 K 7.86 3.98 0.00 1.93 1.82 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.43 1.57 7.81 150 V 7.63 3.53 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 0.84 0.00 0.00 0.94 0.00 0.00 151 V 7.89 3.72 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 0.95 0.00 0.00 0.98 0.00 0.00 152 K 8.19 3.91 0.00 1.94 1.97 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 153 S 8.01 4.26 0.00 4.09 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 0.00 154 L 7.46 4.50 0.00 1.81 1.76 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.85 4.39 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.