NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5236 8.0333 117.3278 63.3141 70.5144 172.4711 3 K 4.6397 9.3315 128.3609 55.2980 33.4528 174.6001 4 I 4.9716 8.7535 126.8158 59.6630 40.4527 173.7327 5 Y 4.8029 8.8813 128.5695 56.3331 40.3323 174.0906 6 F 4.8048 8.6079 130.2544 57.0650 39.8348 174.3598 7 A 4.6135 8.7501 129.7696 50.1415 20.3973 176.2680 8 G 4.4039 8.3643 110.5454 45.0622 0.0000 171.1276 9 P 4.5266 0.0000 0.0000 62.9968 31.6970 176.2445 10 L 4.5839 6.2293 119.5844 55.5101 40.6819 177.0209 11 F 4.7715 8.0736 119.2380 59.7249 40.9273 177.2889 12 S 4.7380 7.7468 114.5285 57.1960 65.7723 175.0027 13 Q 3.9633 8.5696 121.5175 59.0614 28.5481 178.7894 14 A 4.0180 8.0821 121.2632 55.5809 18.3457 179.3343 15 D 4.4451 8.1893 117.1224 57.3073 41.0699 178.8750 16 L 4.1145 8.2110 119.8397 58.1117 41.6604 179.9397 17 R 3.9890 8.4196 118.2495 59.1987 29.9419 178.4976 18 Y 4.2199 8.0906 119.3496 60.7221 38.7928 177.5663 19 N 4.1208 8.7179 117.6783 56.2425 38.6642 177.1734 20 A 3.7755 7.7488 121.7176 55.3216 18.0850 179.0399 21 Y 4.0198 8.0075 117.9909 60.7259 38.7171 178.3875 22 L 3.3857 7.6942 119.9930 57.5553 41.7203 179.5604 23 V 3.2417 7.5543 118.5358 65.5121 31.3869 177.5775 24 E 3.7644 7.8770 119.1480 59.4281 29.2906 178.7255 25 Q 3.8713 7.1036 115.9384 58.9640 29.0008 178.8350 26 I 3.7944 7.8169 120.8606 64.6506 36.8711 178.7651 27 R 3.9447 8.2381 119.3060 58.8302 29.5908 178.1146 28 Q 4.4520 7.5407 114.5494 56.4078 28.8617 176.8848 29 L 4.0613 7.8122 122.4228 57.7228 42.1162 177.2957 30 D 4.3811 7.4189 112.3370 53.2878 44.6946 176.8180 31 K 4.0852 8.8929 126.2233 59.2562 32.2476 177.8252 32 T 4.1813 8.4907 107.6443 62.1163 69.0923 174.4782 33 I 4.0983 7.5741 124.7410 61.3763 37.8618 175.4788 34 D 4.7130 9.0921 128.7722 52.5993 41.6091 173.4814 35 L 5.0288 8.2030 126.4825 53.5906 43.6993 174.4488 36 Y 4.3938 9.3396 128.5000 56.2477 40.6986 173.7147 37 L 4.6106 7.4807 128.0735 52.3661 44.3804 174.6401 38 P 4.2323 0.0000 0.0000 65.9645 31.1079 178.4831 39 Q 3.9451 7.8662 114.3245 58.9948 28.4983 177.7914 40 E 4.1052 7.9271 118.9327 57.6252 29.6481 176.8536 41 N 4.9633 7.6830 114.5298 52.6042 41.3176 175.4724 42 A 4.2398 7.9487 123.5703 52.6679 17.7381 179.8861 *45 N 4.5128 8.9502 114.0713 54.4422 39.5508 171.8079 46 D 4.7488 7.5705 120.6290 52.7306 42.8793 176.9774 47 K 4.2657 8.6268 124.2831 58.5589 33.0445 177.3312 48 S 4.4139 8.6872 113.4072 58.5848 63.3528 173.5719 49 A 4.3093 7.5198 122.3531 51.7615 18.1420 176.1165 50 Y 4.7170 8.4635 122.9510 56.0187 41.9276 174.1535 51 A 4.1998 7.6451 128.8104 49.8937 21.4373 175.5824 52 D 4.4993 8.0545 123.1670 52.2781 41.0848 176.5176 53 S 4.2083 8.6961 112.8776 61.6720 62.9171 176.8284 54 K 3.7842 7.4020 118.5640 57.5057 32.3724 178.4178 *56 I 4.0120 7.9165 120.9524 61.4587 39.0514 177.9141 57 A 4.0012 8.3328 122.2249 54.9283 18.1419 179.3557 58 L 3.8327 8.1723 118.8387 58.3226 42.3083 179.0908 59 A 3.9982 7.9165 120.1040 55.3019 18.3832 179.2227 60 D 4.4112 8.2393 117.3707 57.8964 40.8482 179.1400 61 T 3.7643 8.2230 116.5733 66.4963 68.3495 176.3908 62 E 3.8801 8.1996 120.5790 59.5503 29.2377 179.2850 63 N 4.0914 7.3498 114.5408 55.9944 38.8679 177.1368 64 V 3.1664 7.0930 119.6167 66.2033 31.2861 178.2557 65 L 3.9887 7.8522 116.8848 57.3032 41.5336 178.7701 66 A 4.1655 7.7937 119.2452 52.5648 18.5363 177.4208 67 S 4.6633 7.2474 112.0146 57.3052 64.7848 173.7911 68 D 4.7874 8.9751 120.7222 55.1914 42.1293 176.8343 69 L 4.7044 7.7222 119.6070 53.6146 45.9375 173.5082 70 L 5.2336 8.9224 128.1161 53.3994 44.6733 174.8530 71 V 4.7822 8.7155 126.1842 61.3387 33.6496 174.1908 72 A 5.0105 8.6596 128.8884 50.0510 22.0760 174.5877 73 L 4.7315 8.5035 123.1338 53.8381 42.2158 176.7628 74 L 4.5833 8.5849 123.5203 54.9742 42.9813 177.1702 75 D 4.5377 8.3839 118.4640 54.6956 41.3113 174.9674 76 G 4.4124 8.7904 106.5483 42.1853 0.0000 172.1549 77 P 4.5013 0.0000 0.0000 65.2660 31.2461 176.5502 78 T 4.7842 7.4766 105.9943 59.1281 71.8797 173.3609 79 I 3.9207 8.2382 123.5375 61.1117 37.8048 176.3769 80 D 4.4412 8.9134 123.7295 54.8888 42.5124 177.2800 81 A 4.2216 8.7896 128.1599 55.1590 18.5332 180.1152 82 G 3.6196 8.2378 103.8803 47.9465 0.0000 175.9211 83 V 3.8065 8.4371 120.7757 65.6512 31.6500 177.7882 84 A 3.9997 8.5075 120.8918 55.4960 18.1241 179.8411 85 S 4.1275 8.2889 113.4982 61.8194 62.8269 176.7782 86 E 3.9300 8.3958 121.3007 59.3715 29.0747 179.4640 87 I 3.7972 8.2066 120.3496 64.3078 37.1622 178.6618 88 G 3.6719 8.0337 106.3309 47.7603 0.0000 175.8526 89 V 3.5670 8.1058 120.7843 65.6436 31.4846 177.9495 90 A 3.9335 8.1927 120.6511 55.2636 18.3086 178.8791 91 Y 3.9269 8.3662 118.1358 60.9589 38.6919 178.3664 92 A 3.8771 7.9276 120.0927 54.4044 18.5557 178.7755 93 K 4.2555 7.8149 114.6432 56.2404 32.5362 177.6404 94 G 3.7162 7.6043 107.4723 45.3393 0.0000 172.9337 95 I 4.3974 7.6507 121.1192 58.7201 38.0551 174.3810 96 P 4.6934 0.0000 0.0000 62.9111 33.0776 175.2730 97 V 4.8234 8.4808 120.3669 61.2381 34.7568 174.1391 98 V 4.8278 8.7525 127.9975 61.2615 33.3916 174.1686 99 A 5.2859 9.3173 129.8326 49.9955 22.4297 174.3042 100 L 5.0923 8.9174 122.9713 53.5557 44.9771 174.8921 101 Y 5.0333 9.0566 127.0821 56.6120 40.6277 175.0706 102 T 4.2870 9.5174 116.4118 60.9459 70.1788 174.8878 103 D 4.1095 7.3871 122.8379 54.6734 41.3366 177.6778 104 S 4.1569 8.5957 120.9266 60.9705 63.5120 175.6848 105 R 4.3041 8.5764 119.8428 56.8015 29.7401 177.9043 106 Q 4.4018 7.8976 116.9928 58.0338 29.1839 176.6543 107 Q 4.2821 7.4841 117.6807 56.3986 29.6153 175.5700 108 G 4.2751 9.3568 108.2948 45.7384 0.0000 175.6096 109 A 3.9722 8.4999 124.8144 54.8999 18.2290 178.8843 110 D 4.5066 8.0683 112.1252 53.6693 40.1871 176.5298 111 N 4.6402 7.9714 120.1190 52.7825 39.0044 174.4566 112 H 4.3164 8.6232 126.5271 59.0651 28.7500 177.6570 113 Q 4.0090 8.0573 119.3116 58.7982 28.4838 178.2053 114 K 3.8775 8.1554 117.8992 59.7898 32.1810 178.8070 115 L 4.2830 8.0644 118.8124 57.8871 41.5343 178.9599 116 D 4.3409 8.5633 118.1440 57.3597 41.1549 178.1610 117 A 4.0266 8.4098 121.3308 54.8975 18.1119 179.2120 118 L 4.3198 7.5480 116.2469 57.1175 41.7175 178.6374 119 N 4.5319 8.1627 115.9471 54.2736 38.7812 175.0414 120 E 4.4319 7.6924 120.0628 55.0119 30.8185 176.0906 121 I 3.7664 8.1658 122.0122 62.1790 38.0450 176.2555 122 A 3.7360 8.6708 127.8244 53.8963 15.4101 177.0926 123 E 4.6665 7.8811 114.4712 56.2116 31.6727 175.8011 124 N 4.5700 8.3101 118.4018 53.7089 39.1540 174.6793 125 Q 4.2478 8.5428 123.5942 55.8942 29.4429 175.1056 126 F 4.9434 8.7793 118.7769 56.1219 39.7223 175.5318 127 H 4.4278 8.8438 124.3462 56.7212 30.2805 173.6203 128 Y 4.7407 8.4046 124.9201 55.7203 41.3447 174.1619 129 L 4.3405 7.4367 125.5978 52.1056 44.4511 176.3355 130 N 4.2849 8.1612 121.9895 53.5122 39.8743 175.7995 131 L 4.0696 8.5399 127.4172 56.8093 42.0935 178.6400 132 Y 3.9727 7.9169 119.8103 60.9949 38.7034 177.6573 133 T 3.6605 7.9346 116.1179 66.6324 68.5750 176.5408 134 V 3.5590 7.5130 119.5696 65.9588 31.5888 178.2900 135 G 3.5196 8.0673 105.5580 47.7361 0.0000 175.6354 136 L 3.4541 7.1284 120.1329 57.2425 41.7656 179.3517 137 I 3.8187 7.2653 119.7209 64.5244 36.9421 178.7711 138 K 4.2322 7.7814 117.3834 59.0122 31.8925 179.2019 139 L 4.3592 7.7204 118.7549 56.5955 42.6594 177.2088 140 N 4.8380 8.1438 116.9957 51.6312 40.6449 173.4647 141 G 3.9296 7.5561 111.1421 45.1563 0.0000 169.8234 142 R 4.4674 8.0832 116.4830 55.8046 33.3483 173.8318 143 V 4.8228 8.4214 119.5215 61.3164 33.4386 174.9824 144 V 4.6922 9.1345 120.7765 59.5039 35.4038 176.2247 145 S 5.4171 8.9292 113.7386 57.1769 63.6172 174.3525 146 S 4.7401 7.5750 115.1101 56.1015 67.0664 174.4080 147 E 3.9760 8.8532 122.7721 59.5413 29.2755 179.1379 148 E 3.9165 8.2046 118.7749 59.6842 29.6606 178.6294 149 D 4.3873 8.3090 118.8194 57.0193 40.7795 178.4350 150 L 3.9506 8.1533 121.0713 58.2799 42.0819 179.1701 151 L 3.9634 8.1296 118.9612 57.7275 41.5776 179.0651 152 E 3.9137 8.2297 119.3118 59.2939 29.3366 178.5458 153 E 3.9668 8.2427 118.5260 59.3235 30.1400 178.5022 154 I 3.8558 8.0114 120.0678 64.0086 37.0362 178.3063 155 K 3.9100 8.1278 120.5635 59.7747 31.9271 178.9430 156 Q 4.0357 7.9655 116.3911 58.2430 28.6325 178.0814 157 R 4.4397 7.3688 116.5154 55.9001 30.5552 176.2972 158 L 4.2046 7.8980 124.9784 55.0004 41.7176 176.6074 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 8.03 4.52 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 3 K 9.33 4.64 0.00 1.74 1.79 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.51 7.81 4 I 8.75 4.97 1.95 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 1.16 0.84 1.06 0.00 0.00 5 Y 8.88 4.80 0.00 3.12 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 6 F 8.61 4.80 0.00 2.97 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 7 A 8.75 4.61 1.44 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 0.00 0.00 8 G 8.36 4.40 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 0.00 9 P 0.00 4.53 0.00 2.45 2.45 0.00 3.79 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 2.15 2.06 0.00 10 L 6.23 4.58 0.00 1.47 1.47 0.83 0.34 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 11 F 8.07 4.77 0.00 3.13 3.14 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 12 S 7.75 4.74 0.00 4.09 4.06 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 13 Q 8.57 3.96 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 14 A 8.08 4.02 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 15 D 8.19 4.45 0.00 2.75 2.95 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 16 L 8.21 4.11 0.00 1.82 1.71 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.42 3.99 0.00 1.93 2.00 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 18 Y 8.09 4.22 0.00 3.24 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 19 N 8.72 4.12 0.00 2.89 2.59 0.00 0.00 6.94 7.55 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 20 A 7.75 3.78 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 21 Y 8.01 4.02 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 22 L 7.69 3.39 0.00 1.44 1.46 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.55 3.24 1.76 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 0.82 0.00 0.00 -0.05 0.00 0.00 24 E 7.88 3.76 0.00 2.13 1.77 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 2.23 2.44 0.00 25 Q 7.10 3.87 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 26 I 7.82 3.79 1.93 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 1.51 0.66 0.91 0.00 0.00 27 R 8.24 3.94 0.00 1.94 1.92 0.00 3.00 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 28 Q 7.54 4.45 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 29 L 7.81 4.06 0.00 1.77 1.75 0.97 0.77 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 30 D 7.42 4.38 0.00 2.68 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 0.00 0.00 0.00 0.00 31 K 8.89 4.09 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 32 T 8.49 4.18 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 1.24 0.00 0.00 33 I 7.57 4.10 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.92 0.00 0.00 34 D 9.09 4.71 0.00 2.80 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.20 5.03 0.00 1.69 1.51 0.95 0.80 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 36 Y 9.34 4.39 0.00 3.18 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 37 L 7.48 4.61 0.00 1.47 1.33 0.65 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.23 0.00 2.17 2.23 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 39 Q 7.87 3.95 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.07 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 40 E 7.93 4.11 0.00 1.87 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 0.00 2.21 2.16 0.00 41 N 7.68 4.96 0.00 2.80 2.89 0.00 0.00 6.92 7.38 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 42 A 7.95 4.24 1.06 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 0.00 0.00 *45 N 8.95 4.51 0.00 2.73 2.84 0.00 0.00 6.77 8.47 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 46 D 7.57 4.75 0.00 2.74 2.53 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 47 K 8.63 4.27 0.00 1.92 1.94 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 48 S 8.69 4.41 0.00 3.81 3.98 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 49 A 7.52 4.31 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 50 Y 8.46 4.72 0.00 2.87 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 51 A 7.65 4.20 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.05 4.50 0.00 2.86 2.81 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 53 S 8.70 4.21 0.00 4.03 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 54 K 7.40 3.78 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.44 7.81 *56 I 7.92 4.01 2.00 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 1.33 0.97 0.95 0.00 0.00 57 A 8.33 4.00 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 58 L 8.17 3.83 0.00 1.84 1.66 0.90 1.27 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 59 A 7.92 4.00 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 60 D 8.24 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0.00 110 D 8.07 4.51 0.00 2.76 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 0.00 111 N 7.97 4.64 0.00 2.87 2.97 0.00 0.00 7.15 8.02 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 0.00 112 H 8.62 4.32 0.00 3.23 3.34 0.00 5.67 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 0.00 113 Q 8.06 4.01 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 114 K 8.16 3.88 0.00 2.03 1.95 0.00 1.86 0.00 0.00 1.22 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.53 7.81 115 L 8.06 4.28 0.00 1.96 1.77 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.56 4.34 0.00 2.97 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 0.00 117 A 8.41 4.03 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 0.00 118 L 7.55 4.32 0.00 1.74 1.79 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.16 4.53 0.00 2.83 2.88 0.00 0.00 6.96 7.71 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 0.00 120 E 7.69 4.43 0.00 2.07 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 2.32 2.42 0.00 121 I 8.17 3.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.91 0.00 0.00 122 A 8.67 3.74 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 0.00 123 E 7.88 4.67 0.00 2.09 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 2.38 2.21 0.00 124 N 8.31 4.57 0.00 2.74 2.78 0.00 0.00 7.12 7.08 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 0.00 125 Q 8.54 4.25 0.00 1.53 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 126 F 8.78 4.94 0.00 3.09 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 0.00 127 H 8.84 4.43 0.00 3.25 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.40 4.74 0.00 3.13 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 0.00 129 L 7.44 4.34 0.00 1.15 1.14 -0.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.16 4.28 0.00 2.87 2.69 0.00 0.00 7.71 6.66 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 0.00 131 L 8.54 4.07 0.00 1.76 1.67 0.96 0.64 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 0.00 132 Y 7.92 3.97 0.00 3.05 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 0.00 133 T 7.93 3.66 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 134 V 7.51 3.56 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 0.89 0.00 0.00 0.76 0.00 0.00 135 G 8.07 3.52 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 0.00 0.00 0.00 136 L 7.13 3.45 0.00 1.49 1.38 0.61 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.27 3.82 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.94 0.00 0.00 138 K 7.78 4.23 0.00 1.68 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 139 L 7.72 4.36 0.00 1.81 1.90 0.71 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.14 4.84 0.00 2.83 2.72 0.00 0.00 7.00 8.03 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 0.00 141 G 7.56 3.93 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 0.00 0.00 0.00 142 R 8.08 4.47 0.00 1.85 1.99 0.00 2.74 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 143 V 8.42 4.82 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 0.89 0.00 0.00 0.89 0.00 0.00 144 V 9.13 4.69 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 0.82 0.00 0.00 1.05 0.00 0.00 145 S 8.93 5.42 0.00 3.89 3.93 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 0.00 146 S 7.58 4.74 0.00 4.03 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 0.00 147 E 8.85 3.98 0.00 2.10 2.07 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 2.55 2.53 0.00 148 E 8.20 3.92 0.00 2.05 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 2.39 2.42 0.00 149 D 8.31 4.39 0.00 2.88 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 0.00 150 L 8.15 3.95 0.00 1.79 1.89 0.95 0.62 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 0.00 151 L 8.13 3.96 0.00 1.84 1.68 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.23 3.91 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 153 E 8.24 3.97 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 154 I 8.01 3.86 2.01 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 1.43 1.20 0.92 0.00 0.00 155 K 8.13 3.91 0.00 1.97 1.88 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 156 Q 7.97 4.04 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 157 R 7.37 4.44 0.00 1.82 1.96 0.00 3.17 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 158 L 7.90 4.20 0.00 1.73 1.58 0.95 0.86 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 * Residues marked with a * may have inaccurate shift predictions.