NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 R 4.1955 8.2431 120.8604 56.0150 30.9970 175.3001 22 G 3.7675 8.4482 114.6780 42.5971 0.0000 171.2667 23 S 4.2931 8.4832 114.1879 58.3141 64.5127 171.7135 24 H 4.7834 8.5337 121.6139 54.6980 32.3164 172.0532 25 M 4.5153 8.2399 126.1506 53.1268 33.6862 175.9902 26 L 3.9422 8.1354 123.7871 54.3665 42.7032 176.8071 27 D 4.5458 8.0740 120.2912 52.2510 40.5602 175.4828 28 P 4.2174 0.0000 0.0000 65.9324 31.7858 178.9908 29 S 4.2160 8.1558 112.0910 60.7913 62.9851 175.5403 30 E 4.8177 7.9051 118.3277 56.3216 29.8612 176.8563 31 L 4.1750 7.6206 120.2142 53.8003 42.2467 176.2269 32 P 4.1649 0.0000 0.0000 65.7903 31.2984 177.7165 33 S 4.2938 8.0214 110.6587 59.5195 63.7005 175.7848 34 A 3.9795 8.0638 124.7992 55.1342 18.2677 178.3751 35 L 4.6014 7.7978 112.7399 54.3103 42.1935 176.2160 36 I 4.0257 7.2654 120.9876 63.0248 37.1607 176.6947 37 G 3.9783 9.1677 113.6702 45.4573 0.0000 173.0359 38 K 4.7663 7.8848 119.7839 53.6262 34.4656 174.3853 39 P 4.7062 0.0000 0.0000 62.5783 32.0671 175.7862 40 F 3.8427 8.9983 124.9413 58.1611 39.6870 173.3812 41 P 4.2602 0.0000 0.0000 62.9081 31.7720 175.9066 42 A 4.6637 8.4386 123.6935 52.4082 19.3320 176.5389 43 F 4.8890 8.8525 114.2434 56.1420 41.9473 173.1197 44 D 4.8376 8.7968 118.9837 52.8759 43.0702 174.0983 45 L 5.1437 9.1924 125.5841 51.8879 46.5103 174.6933 46 P 5.0223 0.0000 0.0000 62.6779 32.6722 175.9165 47 S 4.6758 8.7487 116.9794 58.4582 63.4239 174.4430 48 V 3.7641 8.6390 122.6323 66.5656 31.0057 177.6327 49 Q 4.1383 8.2690 117.1854 57.7080 29.2306 175.3749 50 D 4.5871 8.2146 117.1656 51.6350 42.7227 173.8961 51 P 4.3475 0.0000 0.0000 64.8969 31.5630 177.2443 52 A 4.1881 8.0707 120.8609 53.0540 19.0903 176.7414 53 R 4.4821 7.8939 118.0807 55.0432 31.4279 175.3192 54 R 5.0712 8.5962 125.3099 54.7216 32.2199 175.6291 55 L 5.1755 9.3370 122.4939 53.3095 45.8652 175.4451 56 T 4.5388 9.1954 111.1209 58.2008 72.6208 174.5383 57 E 3.8957 7.6641 118.1309 58.8752 29.6697 179.0979 58 A 3.9859 7.5368 122.8593 54.8971 18.5050 178.7945 59 D 4.4520 7.7173 114.2866 56.0711 40.8675 176.9797 60 L 3.6199 7.2343 117.9681 54.3585 42.2419 176.8267 61 K 4.3748 7.7254 118.8693 55.9698 33.3303 175.1828 62 G 3.7541 7.9303 115.2695 45.4407 0.0000 174.6541 63 K 4.7486 7.6137 118.1707 53.0618 35.7851 174.3103 64 P 4.8156 0.0000 0.0000 63.3105 32.0322 175.3643 65 A 4.8452 9.0063 123.0491 51.4380 23.4674 174.9602 66 L 5.1878 8.9397 119.6210 53.3094 44.6123 176.3060 67 V 4.9943 9.3446 122.8394 61.4908 34.0088 173.5661 68 N 5.5310 9.6335 128.2714 52.0460 41.2519 173.4335 69 V 4.9232 9.2112 127.3337 61.5575 33.3153 174.6936 70 W 5.4109 9.0050 124.1063 55.6984 32.3881 173.4767 71 G 3.0746 7.5524 105.2511 44.9748 0.0000 174.6036 72 T 2.6145 8.4220 118.5043 65.2514 68.4562 176.0543 73 W 4.3405 7.2322 115.8134 57.1584 28.3387 176.6437 74 C 4.8502 7.2986 120.5287 54.0320 37.2631 172.0257 75 P 4.3214 0.0000 0.0000 65.6519 30.9832 178.4772 76 S 4.2447 8.1918 113.4484 61.7462 62.5987 177.2919 77 C 4.4659 8.1793 119.4241 59.8812 39.7256 175.9601 78 R 3.5914 8.2648 119.1178 59.4792 29.7957 178.3355 79 V 3.6957 7.5069 116.4911 65.8154 31.9201 177.3416 80 E 4.0594 8.2716 118.9667 58.6498 29.4381 177.9025 81 H 3.8286 7.8121 118.9941 59.0714 29.7409 175.1725 82 P 4.1343 0.0000 0.0000 65.5111 31.1299 178.1848 83 E 3.7867 7.9877 117.6751 59.1225 29.5813 178.7307 84 L 3.7503 7.5809 118.6116 57.8498 41.5182 179.5681 85 T 3.5856 7.6293 115.6603 66.4864 68.3598 176.4257 86 R 3.7218 7.8948 120.6696 59.5399 29.9816 178.5729 87 L 3.5041 7.6802 118.2627 57.4722 41.4781 179.1976 88 A 4.2442 7.6687 122.0537 54.6912 18.0504 179.5505 89 E 3.8783 8.1910 116.1253 58.7694 29.4952 178.5060 90 Q 4.4604 7.1468 115.4860 55.3435 29.0541 176.2225 91 G 3.8687 7.9043 108.5154 45.0127 0.0000 173.6066 92 V 3.9291 7.6654 120.8268 61.3216 32.6142 175.4764 93 V 3.8026 8.4571 128.7290 62.8558 32.7928 174.5701 94 I 4.9571 7.9572 127.5902 59.7736 41.0093 173.7090 95 Y 5.3334 9.3367 124.9622 56.2643 41.0107 174.8004 96 G 3.9386 9.3552 110.4888 44.4476 0.0000 172.3212 97 I 4.6748 8.9044 126.8397 59.6304 38.9389 174.9520 98 N 3.6471 8.9590 128.6710 52.7294 39.2167 172.8692 99 Y 4.6703 8.3510 128.8538 56.2009 39.8398 175.9789 100 K 3.7540 7.5208 127.5016 56.6350 30.1344 172.7583 101 D 5.0202 7.2516 115.4348 51.5976 45.1119 174.4617 102 D 4.4965 8.3228 120.9655 53.4284 42.0127 176.0300 103 N 4.2107 8.7507 125.3495 56.7485 39.2137 176.3543 104 A 3.9915 8.1680 121.4210 55.2508 18.4864 179.3300 105 A 3.9929 7.9215 118.1879 55.2193 18.4702 179.6387 106 A 4.1432 8.4050 119.7462 55.4429 18.4848 179.9304 107 I 3.7777 8.1771 118.4657 64.4861 37.1572 178.4700 108 K 3.9559 8.0572 119.2235 59.6514 32.0698 179.1028 109 W 4.1399 8.5546 118.7544 59.9770 28.8747 178.4809 110 L 4.2423 8.2256 116.7562 56.6701 41.1048 178.4697 111 N 4.7363 7.8039 117.8343 56.1630 39.3875 177.5517 112 E 4.1240 8.6856 118.6838 59.5850 30.0236 178.2906 113 L 4.5519 7.3965 119.7627 53.7124 44.1178 176.6112 *114 H 4.4397 8.1780 116.4822 52.8659 26.8046 171.2163 115 N 4.2304 8.5232 124.7743 52.7785 38.7863 172.9548 116 P 4.3274 0.0000 0.0000 62.9630 32.2464 175.0461 117 Y 4.8233 7.5689 118.1085 57.0924 38.7483 175.7789 118 L 4.3643 8.8363 125.5281 57.2533 42.5915 177.4224 119 L 4.9090 8.1786 117.1626 53.2778 46.7134 175.7209 120 S 5.1107 8.7747 117.6428 56.8630 65.8054 172.6986 121 I 4.2796 9.0650 127.3161 60.4607 38.3042 175.4330 122 S 4.4980 8.8655 123.6520 57.3470 62.5361 173.9036 123 D 4.9037 8.4159 130.1775 52.8480 39.1794 176.6534 124 A 3.9116 7.9261 124.8524 54.2129 19.2580 178.9848 125 D 4.4802 7.9978 113.1628 53.9108 42.0355 177.4457 126 G 3.8372 8.0247 107.8534 46.0603 0.0000 175.4661 127 T 3.9558 7.7587 112.3363 64.3038 68.8182 176.3381 128 L 4.0262 8.3960 123.4439 58.0067 42.0995 178.8978 129 G 3.7634 8.7689 105.9663 47.7904 0.0000 175.0680 130 L 4.0006 8.6848 122.7262 58.3982 41.9361 179.0530 131 D 4.3704 7.6291 116.7326 56.7519 40.7834 178.0928 132 L 4.0798 7.4872 117.9425 54.8546 41.8936 177.3580 133 G 4.2776 7.8038 106.4766 47.1001 0.0000 173.2641 134 V 4.5049 8.1428 119.3454 62.1442 31.8994 175.2994 135 Y 4.9242 9.2706 123.0090 55.2998 39.4264 176.2742 136 G 3.9432 7.2572 105.8023 47.1620 0.0000 171.6487 137 A 4.7862 8.1879 120.9743 50.1653 22.3413 175.0919 138 P 5.2352 0.0000 0.0000 62.3095 33.5385 175.0238 139 E 5.1526 8.6532 118.9647 55.0643 34.3015 174.5350 140 T 5.2780 8.9893 119.5832 62.1585 72.4736 172.3203 141 Y 5.0289 9.5175 124.7793 56.3348 40.5196 174.4546 142 L 5.1908 9.1548 127.4633 54.1426 43.7189 175.3576 143 I 5.2659 9.0531 120.1111 59.2475 41.1844 174.9870 144 D 5.1953 8.8067 124.1593 51.9168 41.7472 177.1986 145 K 4.2162 8.7145 116.3998 59.3792 32.6415 178.1739 146 Q 4.1716 8.3797 117.6050 56.0879 29.0396 176.7002 147 G 3.9990 8.6625 107.4953 45.5948 0.0000 173.1324 148 I 4.5239 7.7307 120.8935 60.4074 38.1776 175.1183 149 I 4.5667 8.9069 126.9350 61.7104 37.4885 176.7453 150 R 4.6230 9.1074 124.6044 56.6327 32.6706 175.2053 151 H 4.6939 7.8705 115.9323 55.1699 33.3013 172.2610 152 K 4.7267 8.1848 123.7196 54.6246 35.1002 175.0145 153 I 4.4049 8.8710 128.3000 59.6087 39.4891 174.5819 154 V 4.1850 8.4818 127.2151 62.6353 32.6219 176.4005 155 G 3.8871 8.7648 114.5849 44.2547 0.0000 172.7689 156 V 3.6384 8.0616 117.9345 63.2251 31.5870 175.3499 157 V 3.9895 9.2462 128.2953 62.1857 31.5794 175.1816 158 D 5.0541 8.2143 128.9997 51.8367 43.2591 176.2057 159 Q 4.0560 8.5040 116.9150 59.2980 28.6480 178.6263 160 K 3.8808 8.0961 120.0091 59.5689 32.3483 178.5643 161 V 3.5942 8.6111 118.7770 65.7997 31.3314 177.6421 162 W 4.1398 8.5118 128.1512 60.5658 30.3645 177.7285 163 R 3.6794 8.3105 117.4521 59.4840 29.6010 177.7367 164 E 4.1921 8.1072 116.4827 57.9282 29.9342 177.7895 165 Q 4.5054 8.3780 115.8215 55.5500 30.7452 176.2823 166 L 4.3181 7.2272 117.1425 55.5271 44.7721 178.2997 167 A 2.7341 7.9103 120.9424 54.3875 17.9707 177.9280 168 P 4.0940 0.0000 0.0000 65.6718 31.5306 178.9332 169 L 3.9679 7.6296 117.3353 57.7519 41.3743 178.5800 170 Y 4.1160 8.2010 119.9210 60.8030 38.3617 177.9376 171 Q 3.9408 8.3441 120.5324 59.3676 28.8940 178.3248 172 Q 3.9794 7.5566 118.0780 59.0762 28.8243 178.7051 173 L 4.1189 7.4859 118.5815 57.4088 41.6679 179.1734 174 L 4.0162 7.2842 118.3600 57.2548 41.5837 177.2937 175 D 4.6108 7.5822 122.1760 54.4578 41.0626 176.1119 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 21 R 8.24 4.20 0.00 1.79 1.92 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 22 G 8.45 3.77 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 0.00 0.00 0.00 23 S 8.48 4.29 0.00 3.99 3.88 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 24 H 8.53 4.78 0.00 3.05 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.24 4.52 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 26 L 8.14 3.94 0.00 1.45 1.44 0.53 0.55 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 27 D 8.07 4.55 0.00 2.83 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 28 P 0.00 4.22 0.00 2.17 2.15 0.00 3.56 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 2.10 2.07 0.00 29 S 8.16 4.22 0.00 3.98 4.12 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 30 E 7.91 4.82 0.00 1.90 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 2.46 2.28 0.00 31 L 7.62 4.17 0.00 1.82 1.58 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.16 0.00 1.99 2.24 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 33 S 8.02 4.29 0.00 4.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.06 3.98 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 35 L 7.80 4.60 0.00 1.82 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.27 4.03 1.90 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 1.37 0.76 0.95 0.00 0.00 37 G 9.17 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 0.00 0.00 0.00 38 K 7.88 4.77 0.00 1.80 1.73 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.52 7.81 39 P 0.00 4.71 0.00 2.13 2.11 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 40 F 9.00 3.84 0.00 3.35 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 41 P 0.00 4.26 0.00 1.94 1.91 0.00 2.32 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 42 A 8.44 4.66 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.85 4.89 0.00 3.09 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 44 D 8.80 4.84 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.19 5.14 0.00 1.79 1.72 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 5.02 0.00 2.13 2.33 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 47 S 8.75 4.68 0.00 3.94 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 48 V 8.64 3.76 2.20 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 0.85 0.00 0.00 0.97 0.00 0.00 49 Q 8.27 4.14 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 50 D 8.21 4.59 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.22 2.18 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 52 A 8.07 4.19 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 53 R 7.89 4.48 0.00 1.94 1.97 0.00 3.11 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 54 R 8.60 5.07 0.00 1.72 1.95 0.00 3.38 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 55 L 9.34 5.18 0.00 1.70 1.63 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.20 4.54 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 1.07 0.00 0.00 57 E 7.66 3.90 0.00 2.29 2.42 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 2.32 2.30 0.00 58 A 7.54 3.99 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 59 D 7.72 4.45 0.00 2.69 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 60 L 7.23 3.62 0.00 1.49 1.31 0.04 0.07 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 61 K 7.73 4.37 0.00 1.68 1.74 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 62 G 7.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.61 4.75 0.00 1.80 1.75 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.49 7.81 64 P 0.00 4.82 0.00 1.93 2.01 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.18 0.00 65 A 9.01 4.85 1.38 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 66 L 8.94 5.19 0.00 1.62 1.69 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 V 9.34 4.99 2.45 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 1.09 0.00 0.00 1.05 0.00 0.00 68 N 9.63 5.53 0.00 2.96 3.06 0.00 0.00 6.39 7.75 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 69 V 9.21 4.92 2.15 0.00 0.00 0.00 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 1.12 0.00 0.00 70 W 9.00 5.41 0.00 3.40 3.29 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 71 G 7.55 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 0.00 0.00 0.00 72 T 8.42 2.61 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 1.12 0.00 0.00 73 W 7.23 4.34 0.00 3.48 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.30 4.85 0.00 1.75 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 75 P 0.00 4.32 0.00 2.28 2.18 0.00 3.79 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 76 S 8.19 4.24 0.00 3.92 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 77 C 8.18 4.47 0.00 3.32 3.44 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 78 R 8.26 3.59 0.00 1.94 2.21 0.00 3.22 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.00 79 V 7.51 3.70 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 0.85 0.00 0.00 0.94 0.00 0.00 80 E 8.27 4.06 0.00 2.24 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 2.28 2.49 0.00 81 H 7.81 3.83 0.00 3.27 3.12 0.00 5.65 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 82 P 0.00 4.13 0.00 2.11 2.00 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 83 E 7.99 3.79 0.00 2.00 2.04 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 2.57 2.31 0.00 84 L 7.58 3.75 0.00 1.53 1.32 0.84 0.54 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 85 T 7.63 3.59 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 86 R 7.89 3.72 0.00 1.78 1.95 0.00 3.01 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 87 L 7.68 3.50 0.00 1.41 0.96 0.19 -1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.67 4.24 1.16 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 0.00 0.00 89 E 8.19 3.88 0.00 2.00 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 2.25 2.42 0.00 90 Q 7.15 4.46 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.80 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 91 G 7.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.67 3.93 1.67 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 0.55 0.00 0.00 0.47 0.00 0.00 93 V 8.46 3.80 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 0.40 0.00 0.00 0.92 0.00 0.00 94 I 7.96 4.96 1.72 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 1.00 0.00 0.00 95 Y 9.34 5.33 0.00 2.87 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 96 G 9.36 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 97 I 8.90 4.67 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.73 0.89 0.00 0.00 98 N 8.96 3.65 0.00 2.10 2.48 0.00 0.00 6.40 7.18 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 99 Y 8.35 4.67 0.00 2.93 2.98 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 0.00 100 K 7.52 3.75 0.00 1.29 1.39 0.00 1.21 0.00 0.00 1.14 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.90 0.21 7.81 101 D 7.25 5.02 0.00 2.57 2.42 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 0.00 102 D 8.32 4.50 0.00 2.82 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.75 4.21 0.00 2.76 2.78 0.00 0.00 7.05 8.09 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 0.00 104 A 8.17 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.92 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.40 4.14 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 0.00 107 I 8.18 3.78 2.07 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 1.60 1.10 0.98 0.00 0.00 108 K 8.06 3.96 0.00 2.08 1.99 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.71 1.78 7.81 109 W 8.55 4.14 0.00 3.73 3.31 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 0.00 110 L 8.23 4.24 0.00 1.93 1.85 1.18 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.80 4.74 0.00 2.88 2.88 0.00 0.00 6.86 7.95 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 0.00 112 E 8.69 4.12 0.00 2.03 1.87 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 2.26 2.22 0.00 113 L 7.40 4.55 0.00 1.32 1.31 -0.21 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *114 H 8.18 4.44 0.00 2.92 2.90 0.00 7.21 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.52 4.23 0.00 2.84 2.78 0.00 0.00 7.20 7.69 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 0.00 116 P 0.00 4.33 0.00 1.67 1.70 0.00 3.21 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.13 0.00 117 Y 7.57 4.82 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.84 4.36 0.00 1.57 1.85 0.89 0.75 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 0.00 119 L 8.18 4.91 0.00 1.80 1.60 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.77 5.11 0.00 3.85 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 0.00 121 I 9.06 4.28 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.70 0.00 0.00 122 S 8.87 4.50 0.00 3.85 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 0.00 123 D 8.42 4.90 0.00 2.74 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 0.00 124 A 7.93 3.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.00 4.48 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 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 0.00 127 T 7.76 3.96 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 128 L 8.40 4.03 0.00 1.70 1.92 0.86 0.38 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 0.00 129 G 8.77 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 0.00 130 L 8.68 4.00 0.00 1.86 1.93 0.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.63 4.37 0.00 2.71 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 0.00 132 L 7.49 4.08 0.00 1.63 1.47 0.57 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.62 0.00 1.71 2.00 0.00 3.41 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 151 H 7.87 4.69 0.00 3.24 3.14 0.00 5.81 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 0.00 152 K 8.18 4.73 0.00 1.38 1.57 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.58 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.96 0.39 7.81 153 I 8.87 4.40 1.88 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 1.18 0.93 0.98 0.00 0.00 154 V 8.48 4.19 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 0.72 0.00 0.00 0.95 0.00 0.00 155 G 8.76 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 0.00 156 V 8.06 3.64 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 0.81 0.00 0.00 1.02 0.00 0.00 157 V 9.25 3.99 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 0.98 0.00 0.00 1.01 0.00 0.00 158 D 8.21 5.05 0.00 2.98 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 0.00 159 Q 8.50 4.06 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 160 K 8.10 3.88 0.00 1.84 1.99 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.59 7.81 161 V 8.61 3.59 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.00 0.00 0.00 162 W 8.51 4.14 0.00 3.41 3.26 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 0.00 163 R 8.31 3.68 0.00 2.02 2.13 0.00 3.32 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 164 E 8.11 4.19 0.00 1.95 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 2.28 2.46 0.00 165 Q 8.38 4.51 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 166 L 7.23 4.32 0.00 1.40 1.25 1.18 1.09 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 0.00 167 A 7.91 2.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.09 0.00 2.06 2.03 0.00 3.27 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 169 L 7.63 3.97 0.00 1.65 1.70 0.77 0.73 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 0.00 170 Y 8.20 4.12 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.34 3.94 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 172 Q 7.56 3.98 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 173 L 7.49 4.12 0.00 1.68 1.69 1.04 0.94 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 0.00 174 L 7.28 4.02 0.00 1.59 1.61 0.78 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 175 D 7.58 4.61 0.00 2.62 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 * Residues marked with a * may have inaccurate shift predictions.