NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2968 0.0000 0.0000 62.9038 33.9241 173.8491 2 H 5.0901 7.9460 117.8028 54.1944 32.2713 171.8474 3 F 5.5943 9.2624 125.2232 55.7109 42.9207 173.8064 4 L 4.3054 8.3067 123.9579 53.5883 43.8036 175.3658 5 I 4.6545 8.3372 128.5567 59.9235 38.1687 173.8475 6 L 5.1237 9.0365 130.5889 53.3283 44.1097 174.6840 7 N 5.4398 9.2027 123.9952 51.6583 42.2053 175.0887 8 G 4.2969 8.9300 111.6140 43.9366 0.0000 170.9409 9 P 5.2184 0.0000 0.0000 63.7422 31.4999 176.8174 10 N 4.3504 9.1677 115.7439 53.9577 37.2314 176.4792 11 V 3.5829 7.4667 118.0725 65.4441 31.7834 177.6586 12 N 4.3060 8.0802 116.2152 55.3812 36.8845 175.6583 13 R 4.1999 7.9674 116.8991 55.7818 30.3332 176.0444 14 L 3.6934 7.2677 121.5492 56.6622 42.3851 177.9749 15 G 4.0209 8.8061 111.7391 45.8034 0.0000 174.1904 16 S 4.3934 7.3198 113.6689 58.8280 63.3511 173.7828 17 R 4.1919 8.1524 117.3654 56.8441 31.1359 175.3507 18 E 4.6020 8.0854 107.8292 55.9805 26.2118 173.4984 19 P 5.3098 0.0000 0.0000 64.1067 31.8962 177.6937 20 E 4.0289 8.0764 116.6856 58.7724 29.6115 178.9321 21 V 3.3900 7.0084 117.4641 65.2327 31.8040 177.3530 22 F 4.7270 7.8738 115.8103 58.4575 39.9180 175.1760 23 G 3.8104 8.4960 105.8310 44.9970 0.0000 173.9295 24 R 4.4889 8.1907 114.0501 55.8140 31.5316 171.6391 25 Q 4.5171 8.2917 115.2912 55.8130 28.7301 176.5481 26 T 4.2684 8.5000 115.6924 60.9608 70.3174 174.3731 27 L 3.9385 8.2750 121.1072 58.2864 41.9918 178.8139 28 T 3.7103 7.7246 115.5470 66.4167 68.3088 175.9837 29 D 4.3205 8.3388 121.2012 57.5483 40.8228 178.9392 30 I 3.6387 7.6641 119.9727 64.4279 37.1273 178.0410 31 E 3.3595 8.0320 120.0306 59.3931 28.8967 178.9970 32 T 3.8078 7.8005 115.6429 66.8181 68.5202 176.4521 33 D 4.2156 8.1068 120.7671 57.2611 40.6606 178.8336 34 L 4.2703 8.4506 122.4620 58.2507 41.5983 180.1525 *35 F 4.2357 8.1279 120.4330 61.9727 37.7244 180.8380 36 Q 4.2825 7.5431 117.4935 58.7937 28.2880 178.4229 37 F 4.4140 8.0241 120.8294 61.1646 39.5538 176.9057 38 A 3.8795 7.9449 120.3519 55.4628 18.0469 179.3306 39 E 3.8585 8.4988 115.4916 58.4745 29.8642 177.2484 40 A 4.2933 7.5765 123.1793 51.6657 21.1496 178.4536 41 L 3.5718 8.5589 117.0390 54.1709 40.2780 170.8750 42 H 3.9990 8.2680 113.3052 57.5707 26.6069 174.2217 43 I 4.6037 7.4035 110.4341 59.3115 40.3578 176.2611 44 Q 4.7757 8.9329 122.6678 54.2552 31.6452 174.6074 45 L 5.3519 8.4498 120.6826 53.3231 45.4228 176.0007 46 T 4.7742 8.4498 117.7494 61.8284 72.2752 172.8606 47 F 5.2919 8.9983 123.7596 55.8384 41.7946 174.9260 48 F 4.9863 9.0368 124.5161 57.0301 42.9651 172.6147 49 Q 5.3081 7.8119 126.3983 53.5995 31.4956 174.1114 50 S 4.4919 7.9534 117.6759 57.6150 65.8159 174.5007 51 N 4.6510 8.9463 120.9857 54.1427 39.2191 174.3452 52 H 5.0523 8.0398 117.2988 54.0039 30.4007 175.2535 53 E 3.9949 9.1419 125.4709 59.5938 29.3858 179.1005 54 G 3.7330 8.1952 104.9728 47.9709 0.0000 175.1570 55 D 4.4463 8.0528 120.8434 57.2979 40.8117 178.8482 56 L 4.1682 7.9827 119.0087 57.7662 41.6588 179.4239 57 I 3.6268 7.7718 119.7669 64.5326 37.0680 178.1432 58 D 4.2939 8.2790 119.5095 57.3407 40.6931 178.8601 59 A 3.9277 8.1134 121.1766 55.0292 18.1485 179.7400 60 I 3.6603 7.7609 117.4492 64.8856 37.2402 177.8716 61 H 4.3999 8.2102 116.9505 59.3005 28.7050 177.7223 62 E 3.9301 8.3254 119.2273 58.5593 29.2122 179.0325 63 A 4.2231 7.8964 121.5048 55.2646 18.0639 178.8736 64 E 3.9548 7.7229 117.5448 59.2628 29.3181 178.0589 65 E 4.5027 7.4296 114.6116 56.2461 29.9158 176.2735 66 Q 4.0634 8.4513 118.8675 55.7213 31.2476 174.1079 67 Y 4.9406 7.5278 113.0620 56.2214 41.0473 174.9904 68 S 4.7964 8.4452 113.7516 57.7994 64.0148 173.9665 69 G 4.2406 7.6873 106.7970 46.4199 0.0000 172.3600 70 I 5.2234 8.0797 120.6756 59.2624 41.4400 174.8111 71 V 4.5427 8.5535 126.5856 61.2062 33.4352 174.0448 72 L 5.1366 8.9631 130.9178 53.3726 44.8789 174.5318 73 N 5.3066 9.4020 126.2888 50.5036 39.7851 172.8746 74 P 4.3634 0.0000 0.0000 62.3266 32.6572 178.1843 75 G 3.8322 8.4447 109.0107 45.3790 0.0000 173.8822 76 A 4.2626 8.4948 118.9203 54.6366 18.2601 179.6612 77 L 3.2906 8.0311 117.4286 57.6059 41.5081 178.9489 78 S 3.9495 7.8073 113.2143 61.6725 61.9302 175.1995 79 H 4.9812 7.9159 115.6771 56.4172 28.9519 175.2258 80 Y 4.6771 7.1819 114.8435 56.3362 42.4838 176.1946 81 S 4.2278 7.6402 117.0698 57.6180 60.1540 173.4621 82 Y 4.2290 8.0113 124.1928 60.0889 38.1041 177.2635 83 A 4.0521 8.0121 121.8273 55.1492 18.5770 179.5625 84 I 3.7108 7.8286 118.5035 64.2334 37.1200 178.2426 85 R 3.8947 7.9139 119.5373 59.9837 29.6868 178.2469 86 D 4.4393 8.3071 117.2780 57.1733 41.0620 178.6687 87 A 4.2244 7.9327 120.8788 55.1685 18.3182 179.6915 88 V 3.5480 7.8463 116.7059 66.5146 31.4145 178.4941 89 S 4.2190 7.9303 113.3336 60.9772 62.6970 175.8553 90 S 4.5182 7.7890 115.0951 57.8774 63.3883 173.5887 91 I 4.8331 7.0551 115.2255 58.3611 39.9624 175.6539 92 S 4.4930 9.1469 115.1621 59.0221 63.6068 174.6582 93 L 4.5014 7.6224 121.3768 53.7529 42.6734 174.8263 94 P 4.5261 0.0000 0.0000 62.8585 32.8926 175.0631 95 V 4.9423 8.5037 122.9042 60.9877 34.7430 173.9612 96 V 4.7549 8.6571 127.1427 61.0143 34.2971 173.7222 97 E 4.8235 8.7464 129.4278 55.4656 30.7376 175.0780 98 V 4.7916 8.5411 125.7913 61.4456 35.3563 173.7306 99 H 4.7908 8.7606 123.4683 54.2563 32.4992 174.2975 100 L 4.1599 8.7459 123.3580 57.9567 42.3557 178.0104 101 S 4.5223 7.9918 111.1320 57.7268 64.0465 173.7275 102 N 4.4928 8.1805 119.6423 51.9854 37.7040 175.0467 103 L 3.7973 7.9222 126.1893 57.6782 41.9419 179.6298 104 Y 4.1451 6.9849 115.0370 60.2520 37.7769 176.8060 105 A 4.3686 7.7139 120.7131 52.4715 19.6124 176.9885 106 R 4.7577 7.6542 115.9637 54.1438 32.7271 175.5321 107 E 3.8971 8.4616 117.2694 57.4910 30.2081 177.8729 108 E 3.3408 8.6939 122.5583 58.9644 29.9041 179.0473 109 F 4.2552 7.9719 112.5570 59.3749 37.8791 176.0298 110 R 3.4536 7.0783 118.5400 57.1584 30.0588 176.6848 111 H 4.7910 7.9750 114.7258 56.2599 28.9961 175.0943 112 Q 4.6978 7.7681 116.9531 54.1642 31.4257 174.2134 113 S 4.8944 8.5989 114.2739 56.8478 64.3392 174.2500 114 V 4.0750 8.7112 119.8934 62.0531 32.2326 177.1490 115 I 4.0470 7.8404 121.0852 63.1419 37.9297 177.9417 116 A 4.0503 8.0222 122.8870 54.6302 18.4464 177.5921 117 P 4.2831 0.0000 0.0000 65.2458 31.4342 177.4797 118 V 4.0864 7.6870 108.2133 60.9877 32.2414 175.4169 119 A 4.6192 7.5147 124.4688 50.2229 20.8082 178.4304 120 K 3.9199 8.7226 118.4901 58.8727 32.2757 177.6016 121 G 3.9001 6.8123 101.4179 46.5217 0.0000 171.6942 122 Q 5.1325 8.4218 119.4805 54.6206 32.4460 174.0129 123 I 4.6146 8.7894 126.1847 59.4864 40.4834 174.6865 124 V 4.7648 8.3985 125.7326 62.5055 34.1201 175.6343 125 G 3.9392 9.0822 115.9369 45.4758 0.0000 173.7886 126 L 4.3718 7.6867 118.2320 54.0236 42.3838 178.6503 127 G 3.8145 8.1374 108.8147 45.8058 0.0000 174.8948 128 A 4.2613 8.4909 119.2396 54.8194 18.4347 179.3968 129 E 4.0026 8.3836 118.0627 59.3715 29.5589 178.8601 130 G 3.6413 8.2371 105.8494 47.8281 0.0000 175.1530 131 Y 4.1077 7.6979 118.7073 60.9948 37.9800 178.8533 132 K 3.8514 8.0884 118.6304 59.5461 32.2422 179.0862 133 L 3.9849 7.9319 118.8672 57.8225 41.5039 179.5945 134 A 3.9955 8.1929 120.6547 55.1669 18.3674 179.8430 135 V 3.3762 7.9604 116.8001 66.1201 31.6220 178.4046 136 R 4.0836 8.6110 118.2249 59.4473 30.0036 178.3353 137 Y 4.0274 8.1546 119.1970 60.7448 38.5776 178.1079 138 L 3.7274 7.6391 118.5563 57.5859 41.6788 179.2591 139 L 4.3024 7.7635 118.0223 58.0382 41.7595 179.1998 140 S 4.1874 8.2432 112.9148 61.6339 62.6196 174.9049 141 Q 4.1440 7.3114 124.2704 55.8558 28.7129 175.4848 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 P 0.00 4.30 0.00 1.76 2.17 0.00 3.49 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.90 0.00 2 H 7.95 5.09 0.00 3.10 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.26 5.59 0.00 3.00 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 4 L 8.31 4.31 0.00 0.56 1.18 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.34 4.65 1.42 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 0.44 0.22 0.95 0.00 0.00 6 L 9.04 5.12 0.00 1.70 1.57 0.98 0.78 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 7 N 9.20 5.44 0.00 2.62 2.67 0.00 0.00 6.43 8.43 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 8 G 8.93 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 0.00 0.00 0.00 0.00 9 P 0.00 5.22 0.00 2.19 2.21 0.00 3.68 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 10 N 9.17 4.35 0.00 2.92 2.94 0.00 0.00 6.74 7.68 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 11 V 7.47 3.58 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 1.10 0.00 0.00 0.97 0.00 0.00 12 N 8.08 4.31 0.00 2.81 3.01 0.00 0.00 6.03 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 13 R 7.97 4.20 0.00 1.83 1.89 0.00 3.26 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 14 L 7.27 3.69 0.00 1.75 1.51 0.86 1.34 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 15 G 8.81 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 16 S 7.32 4.39 0.00 3.93 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 17 R 8.15 4.19 0.00 1.93 1.90 0.00 3.18 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.68 0.00 18 E 8.09 4.60 0.00 1.99 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 0.00 2.25 1.85 0.00 19 P 0.00 5.31 0.00 2.17 2.16 0.00 3.86 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 2.13 2.04 0.00 20 E 8.08 4.03 0.00 2.18 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 2.33 2.41 0.00 21 V 7.01 3.39 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 0.70 0.00 0.00 22 F 7.87 4.73 0.00 3.19 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 23 G 8.50 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 24 R 8.19 4.49 0.00 1.80 1.79 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 25 Q 8.29 4.52 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 26 T 8.50 4.27 4.20 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 1.19 0.00 0.00 27 L 8.27 3.94 0.00 1.72 1.62 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.72 3.71 4.17 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 0.00 0.00 1.12 0.00 0.00 29 D 8.34 4.32 0.00 2.81 2.70 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 30 I 7.66 3.64 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.69 0.00 0.00 31 E 8.03 3.36 0.00 1.37 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 0.00 1.66 1.47 0.00 32 T 7.80 3.81 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 1.19 0.00 0.00 33 D 8.11 4.22 0.00 2.72 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 34 L 8.45 4.27 0.00 2.05 2.04 1.00 1.32 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 *35 F 8.13 4.24 0.00 2.29 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 0.00 0.00 0.00 0.00 36 Q 7.54 4.28 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 37 F 8.02 4.41 0.00 3.24 3.25 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 38 A 7.94 3.88 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.50 3.86 0.00 2.14 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 0.00 2.35 2.22 0.00 40 A 7.58 4.29 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 41 L 8.56 3.57 0.00 1.86 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.27 4.00 0.00 3.13 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.40 4.60 1.83 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 0.89 0.00 0.00 44 Q 8.93 4.78 0.00 1.64 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 45 L 8.45 5.35 0.00 1.45 1.03 1.10 0.94 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 46 T 8.45 4.77 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 1.32 0.00 0.00 47 F 9.00 5.29 0.00 2.87 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 48 F 9.04 4.99 0.00 3.12 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 49 Q 7.81 5.31 0.00 1.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.00 0.00 50 S 7.95 4.49 0.00 3.59 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 51 N 8.95 4.65 0.00 2.77 2.77 0.00 0.00 6.87 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 52 H 8.04 5.05 0.00 3.38 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.14 3.99 0.00 2.00 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 2.36 2.32 0.00 54 G 8.20 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 55 D 8.05 4.45 0.00 3.00 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 56 L 7.98 4.17 0.00 1.83 1.76 0.92 0.90 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 57 I 7.77 3.63 1.97 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 1.50 0.72 0.75 0.00 0.00 58 D 8.28 4.29 0.00 2.82 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 59 A 8.11 3.93 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 60 I 7.76 3.66 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 1.55 0.69 0.96 0.00 0.00 61 H 8.21 4.40 0.00 3.31 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.33 3.93 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 2.31 2.33 0.00 63 A 7.90 4.22 1.60 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 0.00 0.00 64 E 7.72 3.95 0.00 2.00 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 2.32 2.43 0.00 65 E 7.43 4.50 0.00 2.03 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 2.27 0.00 66 Q 8.45 4.06 0.00 1.53 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 67 Y 7.53 4.94 0.00 3.00 2.99 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 68 S 8.45 4.80 0.00 4.00 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 69 G 7.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.08 5.22 1.89 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 1.13 0.82 0.98 0.00 0.00 71 V 8.55 4.54 2.13 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 1.00 0.00 0.00 0.87 0.00 0.00 72 L 8.96 5.14 0.00 1.75 1.45 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.40 5.31 0.00 2.71 2.97 0.00 0.00 6.81 7.59 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 74 P 0.00 4.36 0.00 2.16 2.10 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 75 G 8.44 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 76 A 8.49 4.26 1.56 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 0.00 0.00 77 L 8.03 3.29 0.00 1.69 1.46 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.81 3.95 0.00 3.94 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 79 H 7.92 4.98 0.00 3.48 3.58 0.00 5.73 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.18 4.68 0.00 2.90 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 81 S 7.64 4.23 0.00 3.52 3.59 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 82 Y 8.01 4.23 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.01 4.05 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 84 I 7.83 3.71 1.92 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 1.39 0.84 0.89 0.00 0.00 85 R 7.91 3.89 0.00 1.94 2.26 0.00 3.39 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 86 D 8.31 4.44 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 87 A 7.93 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 88 V 7.85 3.55 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 1.05 0.00 0.00 0.98 0.00 0.00 89 S 7.93 4.22 0.00 4.07 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 90 S 7.79 4.52 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 91 I 7.06 4.83 2.07 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 1.15 1.49 1.00 0.00 0.00 92 S 9.15 4.49 0.00 4.01 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 93 L 7.62 4.50 0.00 1.63 1.73 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.53 0.00 2.21 2.26 0.00 3.87 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 2.13 2.01 0.00 95 V 8.50 4.94 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 1.02 0.00 0.00 0.96 0.00 0.00 96 V 8.66 4.75 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 0.85 0.00 0.00 0.88 0.00 0.00 97 E 8.75 4.82 0.00 2.08 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 0.00 2.22 2.33 0.00 98 V 8.54 4.79 1.72 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 0.39 0.00 0.00 0.76 0.00 0.00 99 H 8.76 4.79 0.00 3.00 3.07 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.75 4.16 0.00 1.74 1.76 0.98 1.05 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 0.00 101 S 7.99 4.52 0.00 3.80 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 0.00 102 N 8.18 4.49 0.00 2.69 2.70 0.00 0.00 6.87 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 0.00 103 L 7.92 3.80 0.00 0.99 1.47 0.52 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 6.98 4.15 0.00 3.00 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 0.00 105 A 7.71 4.37 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.65 4.76 0.00 1.74 1.74 0.00 3.02 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 107 E 8.46 3.90 0.00 1.39 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 2.50 2.36 0.00 108 E 8.69 3.34 0.00 1.90 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 2.32 2.18 0.00 109 F 7.97 4.26 0.00 3.05 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.08 3.45 0.00 1.59 1.69 0.00 2.84 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 111 H 7.97 4.79 0.00 3.23 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.77 4.70 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 113 S 8.60 4.89 0.00 3.83 3.78 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 0.00 114 V 8.71 4.08 1.72 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 0.43 0.00 0.00 0.56 0.00 0.00 115 I 7.84 4.05 1.99 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 1.20 0.92 0.90 0.00 0.00 116 A 8.02 4.05 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 0.00 117 P 0.00 4.28 0.00 2.09 2.17 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 118 V 7.69 4.09 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 0.70 0.00 0.00 1.08 0.00 0.00 119 A 7.51 4.62 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 0.00 120 K 8.72 3.92 0.00 1.92 1.91 0.00 2.04 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.70 7.81 121 G 6.81 3.90 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 0.00 0.00 0.00 122 Q 8.42 5.13 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.56 0.00 123 I 8.79 4.61 1.77 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 1.03 0.69 0.85 0.00 0.00 124 V 8.40 4.76 2.14 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 0.49 0.00 0.00 0.87 0.00 0.00 125 G 9.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.69 4.37 0.00 1.60 1.66 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.14 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 0.00 128 A 8.49 4.26 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 0.00 129 E 8.38 4.00 0.00 2.08 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 2.36 2.41 0.00 130 G 8.24 3.64 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 0.00 0.00 0.00 131 Y 7.70 4.11 0.00 3.23 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 0.00 132 K 8.09 3.85 0.00 1.87 1.50 0.00 1.70 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 L 7.93 3.98 0.00 1.82 1.71 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.19 4.00 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 0.00 135 V 7.96 3.38 2.38 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 1.41 0.00 0.00 1.06 0.00 0.00 136 R 8.61 4.08 0.00 2.08 2.06 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 137 Y 8.15 4.03 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.64 3.73 0.00 1.56 1.02 0.97 0.70 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 0.00 139 L 7.76 4.30 0.00 1.90 1.80 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.24 4.19 0.00 3.91 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 0.00 141 Q 7.31 4.14 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.58 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.