NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3146 8.1593 117.3742 63.5442 70.2425 173.5240 2 S 4.5969 8.1066 119.9582 55.6429 66.2626 173.5609 3 K 3.8397 9.3493 125.4547 59.9439 32.5575 180.0418 4 K 4.1054 8.0248 118.0225 59.3595 31.7928 178.8251 5 K 3.8588 7.4668 118.6058 59.6963 32.1492 178.2793 6 R 4.1818 7.5768 114.9280 57.3573 30.2531 178.0133 7 Q 4.1437 8.2877 119.0657 56.5040 28.5540 175.8550 8 R 4.0512 7.4041 120.0908 57.2347 30.3656 175.8337 9 G 4.1444 9.0659 111.9781 46.0146 0.0000 175.4827 10 S 3.9531 7.4934 113.3158 59.0412 62.5716 173.0875 11 R 3.9633 6.8077 123.5271 57.4653 30.2495 176.2093 12 T 4.1743 7.5972 106.2374 62.0542 69.7991 174.5995 13 H 4.3833 8.3418 117.6721 55.9355 26.9080 175.6311 14 G 3.8932 8.5085 103.9437 46.1650 0.0000 174.6477 15 G 3.9554 8.3167 107.3052 44.5118 0.0000 176.6482 16 G 3.6919 7.7468 107.4851 45.2716 0.0000 173.4671 17 S 4.0423 8.5702 114.6751 58.9182 62.7976 175.4765 18 H 4.4926 8.7680 120.2915 56.6927 28.4516 175.8201 19 K 4.0907 7.3347 119.1245 56.9744 31.8589 177.5583 20 N 4.3312 7.4572 117.4659 55.8832 39.1270 177.1142 21 R 4.4037 7.4249 120.6556 56.2673 29.3024 177.2005 22 R 4.5070 7.6397 121.6879 56.0688 30.3297 180.3387 23 G 4.1282 8.6229 122.7520 45.7531 0.0000 173.9309 24 A 4.3714 8.5946 121.6641 53.6147 18.5095 179.6762 25 G 3.5680 7.9303 104.9800 47.3769 0.0000 174.7214 26 H 4.7111 7.9368 117.2509 57.0106 29.9012 175.4535 27 R 4.4658 7.4278 116.8007 55.9172 30.8803 175.4060 28 G 3.8873 8.9676 105.0769 46.5048 0.0000 175.4199 29 G 4.0263 8.2709 104.1414 44.6368 0.0000 174.3114 30 R 3.9887 8.4855 120.0697 57.1953 31.5893 176.9140 31 G 3.8333 8.5352 113.5432 47.2181 0.0000 173.8248 32 D 4.6141 8.6268 122.2501 54.5285 40.5197 175.6697 33 A 4.0281 7.5469 122.9012 54.0338 18.8401 178.9055 34 G 3.7284 8.9491 109.1710 45.6182 0.0000 175.1748 35 R 4.4559 7.9592 115.2073 56.8715 29.2029 177.2617 36 D 4.9875 7.8418 115.7937 52.5581 41.9321 175.8619 37 K 4.2526 8.1881 117.2497 57.2159 33.2524 176.6257 38 H 4.5253 9.3154 122.1407 58.0765 30.8051 176.5703 39 E 4.7247 7.9946 119.2347 54.9513 29.2607 176.8305 40 F 4.8834 7.5658 113.2892 58.4479 39.2988 176.8776 41 H 3.7240 7.0850 117.7313 57.4704 28.8391 174.5075 42 N 4.2736 8.9231 121.0405 54.7542 35.5776 174.0907 43 H 4.8861 8.0136 112.7539 53.7129 32.8529 173.8689 44 E 4.1424 8.7934 123.6785 55.2812 29.9794 175.1113 45 P 4.3324 0.0000 0.0000 62.8693 31.5391 175.6961 46 L 4.1649 8.0210 119.3375 54.1566 42.3903 175.1593 47 G 3.8388 8.2879 105.3332 44.5163 0.0000 173.0619 48 K 4.5901 8.3102 117.9219 54.4157 34.2124 176.3372 49 S 4.4333 8.1073 116.5256 57.2633 65.2221 174.6690 50 G 3.9981 9.0325 118.3456 45.7721 0.0000 171.3013 51 F 5.0372 8.4931 114.6144 55.5474 41.1158 173.5364 52 K 4.2709 8.2731 119.0864 54.4441 35.3147 176.6998 53 R 4.4161 8.0845 121.5762 54.2905 31.4445 174.7286 54 P 4.2996 0.0000 0.0000 63.1319 31.5501 177.1551 55 Q 3.9503 8.9431 121.3573 59.0912 28.7606 178.7973 56 K 4.4429 7.9671 113.5923 57.0272 32.8183 176.9294 57 V 4.2515 8.2124 117.9127 62.8039 31.6296 174.6589 58 Q 4.5159 7.5388 116.4977 54.0971 29.9151 174.8402 59 E 4.2324 8.6859 123.0658 55.0713 30.7421 175.1872 60 E 4.3879 8.3960 125.4502 54.2510 30.9683 174.3217 61 A 4.1038 8.1219 129.1627 51.3250 19.7297 176.4630 62 A 4.3751 8.9509 125.5847 51.3330 19.5364 176.3918 63 T 5.5387 8.2494 111.8256 60.2295 71.4899 173.8799 64 I 4.6069 7.9233 121.8007 59.9341 42.0653 172.7710 65 D 5.2197 8.6550 127.8312 53.4708 42.4719 177.6879 66 V 3.5189 8.5144 117.9102 64.8045 31.6539 178.6397 67 R 3.8621 7.7332 118.2912 59.6885 29.5532 177.9162 68 E 3.8510 8.4208 117.8208 59.4200 30.0591 178.2596 69 I 3.7646 7.7584 119.2795 64.6905 36.9001 177.4973 70 D 4.3323 8.6325 118.7129 57.6592 40.8791 178.3359 71 E 4.1369 8.4825 117.6399 58.1871 29.7419 177.3844 72 N 4.9710 7.7874 115.7984 52.8977 39.9013 176.6952 73 V 3.3689 7.4859 114.0077 64.7712 31.7329 178.6183 74 T 3.8782 7.7341 107.7625 64.8288 68.3163 175.4284 75 L 4.0617 7.2492 119.7336 56.7550 41.9160 177.5885 76 L 4.3935 7.5575 120.5682 53.4772 41.0596 178.0401 77 A 4.0368 7.9781 122.1017 55.2412 18.8271 177.9631 78 A 4.4865 7.7470 117.6649 52.0653 19.0418 177.3358 79 D 4.5247 8.2614 119.7420 56.3526 45.3891 176.1097 80 D 4.2187 7.5076 122.1004 49.3053 41.3581 175.3889 81 V 4.5405 8.3468 121.1579 61.1059 34.0770 174.7424 82 A 4.3088 8.1252 133.3427 51.5574 20.2274 176.8742 83 E 3.8291 9.0082 109.8142 59.4971 30.1048 174.1452 *89 F 4.7892 7.7637 114.4150 57.9856 41.0124 174.0218 90 R 5.1801 8.7909 121.6247 54.6328 32.5074 174.9754 91 V 4.5350 8.7994 125.9808 59.8339 34.7012 174.3720 92 D 4.9422 8.6995 124.2543 53.2657 41.9971 176.8214 93 V 3.5316 8.8367 127.4838 66.1185 31.8381 177.9426 94 R 3.8257 7.8586 117.3437 59.8366 29.9270 178.3288 95 D 4.5065 7.5384 116.6050 56.6540 40.8858 178.6518 96 V 3.7101 8.1545 119.3278 64.5970 32.0988 176.2849 97 V 3.5901 7.2674 117.5346 63.2632 32.2970 175.5396 98 E 4.3195 8.5282 125.6076 56.7574 30.8363 177.2076 99 E 4.1113 9.0692 117.4274 57.3157 27.2769 176.2408 100 A 4.2082 7.4622 117.9658 53.5054 17.9533 177.5549 101 D 4.7038 8.3638 117.8276 56.6989 41.8453 178.0351 102 D 4.6722 7.9944 115.7772 53.3320 39.5345 175.0526 103 A 4.6801 7.3458 122.5605 50.6973 20.7835 177.9525 104 D 4.2799 8.2708 119.9324 55.2705 41.7029 175.3184 105 Y 4.6507 6.1723 116.9390 57.6985 41.6654 171.7604 106 V 4.9145 8.5107 119.5236 60.9609 34.3957 174.0860 107 K 4.6901 9.1675 128.7236 54.6045 35.1108 174.9964 108 V 4.3696 8.3595 128.2136 62.3599 33.1391 174.8769 109 L 4.8633 8.8621 127.4203 51.5998 45.0487 176.4979 110 G 4.2659 8.2717 106.0371 45.6420 0.0000 173.4200 111 A 4.6185 8.2938 122.6932 51.6110 21.1622 178.8186 112 G 3.8905 8.7040 107.7826 44.7050 0.0000 172.3265 113 Q 4.4239 8.1033 117.6418 54.4113 30.7368 175.7617 114 V 4.3284 7.7841 117.4255 61.8884 32.2811 174.6260 115 R 4.2970 8.9081 125.1259 56.5956 30.4186 176.2249 116 H 5.2684 7.8047 114.3999 53.4285 32.7162 173.0006 117 E 5.1129 8.8257 118.5935 55.6398 30.3312 175.8821 118 L 5.1582 8.6549 124.0918 53.0219 45.8744 175.6329 119 T 4.8041 9.0594 120.0247 62.1017 70.7308 173.0974 120 L 5.2627 8.9273 127.4579 52.9003 44.7628 175.8362 121 I 5.6110 8.8121 123.8401 59.1501 39.7809 174.4719 122 A 4.9936 8.4854 128.0468 50.9572 22.1633 175.3763 123 D 4.7295 8.5966 115.7668 56.4141 42.1963 176.2365 124 D 4.6354 7.4541 116.3753 53.7667 45.1767 174.0925 125 F 5.6817 9.0450 119.9380 56.0682 43.0607 173.7506 126 S 4.8064 8.6596 114.5175 56.9983 65.6503 174.8566 127 E 4.0745 9.1659 120.7908 60.0585 29.1813 180.0721 128 G 3.7623 8.2831 104.3911 47.6785 0.0000 175.3402 129 A 4.1091 8.0384 122.9277 55.8729 18.5584 179.0243 130 R 3.8855 8.3745 116.4793 57.8618 29.8577 179.0324 131 E 3.8640 8.5571 118.2712 59.5760 29.9394 180.0519 132 K 3.9249 7.8724 118.0203 59.7153 32.0803 179.7384 133 V 3.7532 8.1623 118.5091 65.6724 31.3410 177.8075 134 E 4.9925 7.9155 120.0828 58.4039 29.3619 178.9189 135 G 3.8069 8.2897 104.6820 46.5656 0.0000 173.5862 136 A 4.6750 7.7123 122.9200 51.8767 19.7394 176.7007 137 G 3.9491 8.1964 105.1017 48.4833 0.0000 173.7721 138 G 4.4708 7.7647 104.8812 44.0237 0.0000 172.3298 139 S 5.1418 8.7783 113.1768 56.2532 66.7080 173.2247 140 V 4.5721 8.1920 120.4957 61.1596 33.7146 174.2078 141 E 4.6253 9.6320 128.7948 54.3641 31.8230 174.9195 142 L 4.8029 8.5117 127.3892 54.8415 43.2128 176.6234 143 T 4.1493 9.1955 123.7071 63.8387 69.6153 174.8170 144 D 4.5886 8.7220 120.7822 57.1118 41.2745 179.0727 145 L 3.9810 8.0134 120.4860 57.7847 42.2310 178.1154 146 G 3.8165 7.4182 105.0281 47.2313 0.0000 174.4064 147 E 4.3386 7.6107 120.1969 56.8435 29.0847 176.7964 148 E 4.7837 7.9312 113.0775 56.4692 30.6627 177.9938 149 R 4.5915 7.5526 115.7386 52.3572 30.7584 176.2621 150 Q 4.3051 7.7644 121.5119 56.9309 29.3147 172.9837 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 1 T 8.16 4.31 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 2 S 8.11 4.60 0.00 4.12 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 3 K 9.35 3.84 0.00 1.77 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.55 7.81 4 K 8.02 4.11 0.00 1.85 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.51 7.81 5 K 7.47 3.86 0.00 1.72 2.09 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 6 R 7.58 4.18 0.00 1.97 1.94 0.00 3.21 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 7 Q 8.29 4.14 0.00 2.05 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 8 R 7.40 4.05 0.00 1.79 1.88 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 9 G 9.07 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 10 S 7.49 3.95 0.00 3.90 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 11 R 6.81 3.96 0.00 2.01 1.99 0.00 3.24 0.00 0.00 3.27 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 12 T 7.60 4.17 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 13 H 8.34 4.38 0.00 3.32 3.41 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.51 3.89 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 0.00 0.00 0.00 15 G 8.32 3.96 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 0.00 0.00 0.00 16 G 7.75 3.69 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 0.00 0.00 0.00 0.00 17 S 8.57 4.04 0.00 3.85 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 18 H 8.77 4.49 0.00 3.31 3.41 0.00 5.57 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.33 4.09 0.00 1.63 1.79 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.23 1.18 7.81 20 N 7.46 4.33 0.00 2.85 2.58 0.00 0.00 6.96 7.46 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 21 R 7.42 4.40 0.00 1.79 1.91 0.00 3.19 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 22 R 7.64 4.51 0.00 1.76 1.03 0.00 3.24 0.00 0.00 3.21 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 23 G 8.62 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 24 A 8.59 4.37 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 25 G 7.93 3.57 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 0.00 0.00 0.00 26 H 7.94 4.71 0.00 3.11 3.47 0.00 5.89 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.43 4.47 0.00 1.95 1.87 0.00 3.41 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 28 G 8.97 3.89 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 0.00 0.00 0.00 29 G 8.27 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 0.00 0.00 0.00 30 R 8.49 3.99 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.54 3.83 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 0.00 0.00 0.00 32 D 8.63 4.61 0.00 2.74 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 33 A 7.55 4.03 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 34 G 8.95 3.73 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 0.00 0.00 0.00 35 R 7.96 4.46 0.00 1.49 1.94 0.00 3.00 0.00 0.00 3.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 36 D 7.84 4.99 0.00 2.72 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 37 K 8.19 4.25 0.00 1.80 1.74 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.37 7.81 38 H 9.32 4.53 0.00 3.30 3.44 0.00 5.47 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 39 E 7.99 4.72 0.00 1.98 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 2.21 2.11 0.00 40 F 7.57 4.88 0.00 2.98 3.08 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 41 H 7.08 3.72 0.00 2.98 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.92 4.27 0.00 2.85 2.88 0.00 0.00 6.86 8.16 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 43 H 8.01 4.89 0.00 3.28 3.19 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.79 4.14 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.33 0.00 2.17 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 46 L 8.02 4.16 0.00 1.65 1.66 0.90 0.95 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 47 G 8.29 3.84 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 0.00 0.00 0.00 48 K 8.31 4.59 0.00 1.74 1.73 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 49 S 8.11 4.43 0.00 3.77 3.70 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 50 G 9.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 5.04 0.00 3.14 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 52 K 8.27 4.27 0.00 1.67 1.61 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 R 8.08 4.42 0.00 1.74 1.87 0.00 3.31 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.50 0.00 54 P 0.00 4.30 0.00 2.22 2.22 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 8.94 3.95 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.06 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 56 K 7.97 4.44 0.00 1.86 1.90 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 8.21 4.25 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.54 4.52 0.00 2.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 59 E 8.69 4.23 0.00 1.95 1.83 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 2.52 2.31 0.00 60 E 8.40 4.39 0.00 1.95 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 2.16 2.19 0.00 61 A 8.12 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.95 4.38 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 63 T 8.25 5.54 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 1.19 0.00 0.00 64 I 7.92 4.61 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 0.87 0.00 0.00 65 D 8.66 5.22 0.00 2.63 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 66 V 8.51 3.52 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 0.86 0.00 0.00 1.04 0.00 0.00 67 R 7.73 3.86 0.00 1.81 1.97 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 68 E 8.42 3.85 0.00 1.94 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 0.00 2.30 2.33 0.00 69 I 7.76 3.76 2.01 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 1.51 0.75 0.90 0.00 0.00 70 D 8.63 4.33 0.00 2.79 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 71 E 8.48 4.14 0.00 1.91 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 2.33 2.74 0.00 72 N 7.79 4.97 0.00 2.67 2.71 0.00 0.00 6.81 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 73 V 7.49 3.37 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.25 0.00 0.00 74 T 7.73 3.88 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 1.21 0.00 0.00 75 L 7.25 4.06 0.00 1.80 1.76 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.56 4.39 0.00 1.84 1.77 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.98 4.04 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 78 A 7.75 4.49 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 79 D 8.26 4.52 0.00 2.80 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 80 D 7.51 4.22 0.00 3.03 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 0.00 81 V 8.35 4.54 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 0.37 0.00 0.00 0.93 0.00 0.00 82 A 8.13 4.31 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 83 E 9.01 3.83 0.00 1.99 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 2.24 1.94 0.00 *89 F 7.76 4.79 0.00 3.01 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 90 R 8.79 5.18 0.00 1.83 1.82 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.80 4.54 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 0.68 0.00 0.00 0.95 0.00 0.00 92 D 8.70 4.94 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.84 3.53 2.01 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 0.84 0.00 0.00 0.92 0.00 0.00 94 R 7.86 3.83 0.00 2.00 2.01 0.00 3.22 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 95 D 7.54 4.51 0.00 2.88 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 96 V 8.15 3.71 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 0.78 0.00 0.00 0.97 0.00 0.00 97 V 7.27 3.59 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.53 4.32 0.00 2.05 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 2.35 2.31 0.00 99 E 9.07 4.11 0.00 2.19 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 0.00 2.24 2.23 0.00 100 A 7.46 4.21 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 0.00 101 D 8.36 4.70 0.00 2.70 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 0.00 102 D 7.99 4.67 0.00 2.80 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 0.00 103 A 7.35 4.68 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 0.00 104 D 8.27 4.28 0.00 2.60 2.50 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 0.00 105 Y 6.17 4.65 0.00 3.07 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 V 8.51 4.91 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 0.91 0.00 0.00 0.93 0.00 0.00 107 K 9.17 4.69 0.00 2.01 1.66 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81 108 V 8.36 4.37 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 1.02 0.00 0.00 0.75 0.00 0.00 109 L 8.86 4.86 0.00 1.70 1.53 0.92 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.27 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 0.00 0.00 0.00 0.00 111 A 8.29 4.62 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 0.00 112 G 8.70 3.89 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 0.00 0.00 0.00 113 Q 8.10 4.42 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 7.78 4.33 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 0.98 0.00 0.00 0.95 0.00 0.00 115 R 8.91 4.30 0.00 1.65 1.83 0.00 3.11 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 116 H 7.80 5.27 0.00 3.04 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.83 5.11 0.00 2.03 2.31 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 2.33 2.28 0.00 118 L 8.65 5.16 0.00 1.64 1.63 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.06 4.80 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 1.24 0.00 0.00 120 L 8.93 5.26 0.00 1.79 1.87 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.81 5.61 1.94 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 1.18 0.75 0.98 0.00 0.00 122 A 8.49 4.99 0.69 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 0.00 0.00 0.00 123 D 8.60 4.73 0.00 2.74 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 0.00 124 D 7.45 4.64 0.00 2.43 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 0.00 125 F 9.05 5.68 0.00 2.76 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 0.00 126 S 8.66 4.81 0.00 3.93 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 0.00 127 E 9.17 4.07 0.00 2.05 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 2.42 2.42 0.00 128 G 8.28 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 0.00 129 A 8.04 4.11 1.57 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 0.00 0.00 130 R 8.37 3.89 0.00 2.00 1.79 0.00 3.12 0.00 0.00 3.23 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 131 E 8.56 3.86 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 132 K 7.87 3.92 0.00 2.00 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.64 7.81 133 V 8.16 3.75 2.22 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 1.10 0.00 0.00 1.05 0.00 0.00 134 E 7.92 4.99 0.00 2.03 1.95 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 2.36 2.30 0.00 135 G 8.29 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 0.00 136 A 7.71 4.68 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 0.00 137 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 0.00 138 G 7.76 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.78 5.14 0.00 3.84 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 0.00 140 V 8.19 4.57 1.66 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 -0.95 0.00 0.00 0.57 0.00 0.00 141 E 9.63 4.63 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 142 L 8.51 4.80 0.00 1.66 1.61 1.19 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 9.20 4.15 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 1.26 0.00 0.00 144 D 8.72 4.59 0.00 2.72 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 0.00 145 L 8.01 3.98 0.00 1.61 1.86 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.42 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 0.00 147 E 7.61 4.34 0.00 2.14 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 2.35 2.51 0.00 148 E 7.93 4.78 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.54 0.00 149 R 7.55 4.59 0.00 1.74 1.83 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 150 Q 7.76 4.31 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.