NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3838 8.1233 123.5870 52.3075 21.0357 178.9182 10 N 4.1177 8.2584 113.2202 56.3572 38.5036 175.8223 11 S 4.1341 8.8589 117.2954 61.8187 63.3696 176.5463 12 T 3.9006 7.8028 118.0287 66.5037 68.2917 176.8470 13 V 3.3584 7.6245 119.8193 65.9030 31.5007 177.9336 14 L 3.7888 8.0270 119.0837 57.8808 40.9384 179.4389 15 S 4.1273 8.2105 112.9387 61.4613 62.0977 175.9379 16 F 4.3970 7.9981 122.0165 61.7007 39.4884 176.5991 17 C 3.8877 8.2569 116.0612 62.2182 27.7202 175.5438 18 A 3.6538 8.2587 123.4798 55.0807 17.7905 178.3365 19 F 4.5092 7.4153 109.5645 57.4559 38.9367 176.4033 20 A 4.1385 7.4378 124.9506 51.8849 18.6272 179.2455 21 V 3.7469 8.2147 113.6665 63.4797 32.1343 176.5598 22 D 4.6896 7.4364 119.6170 50.3275 41.6156 173.3744 23 P 4.2002 0.0000 0.0000 65.1052 31.5895 177.5786 24 A 3.9527 7.9348 118.7940 55.1156 18.4113 179.4230 25 K 3.9151 8.5856 117.9844 59.4664 32.1465 178.8310 26 A 4.0421 8.1029 121.1574 55.4351 18.2003 179.0482 27 Y 4.2818 8.1661 118.0591 60.5651 38.7629 177.8069 28 K 3.7538 8.2274 120.6676 59.7303 32.1602 178.3063 29 D 4.4213 8.4249 118.4193 57.6101 41.0829 178.1919 30 Y 4.2666 8.4524 119.9901 60.8017 38.8962 178.1935 31 L 3.6192 8.1680 119.9226 57.6475 41.4904 179.3679 32 A 4.0596 8.1278 119.7168 54.3395 18.1905 178.5767 33 S 4.6544 7.4676 112.6470 58.2899 63.8790 175.0816 34 G 3.7631 7.8189 108.5402 45.6147 0.0000 175.0147 35 G 2.6303 7.0711 107.5231 44.5515 0.0000 173.5074 36 Q 4.1790 8.3867 122.7723 54.5113 29.8156 174.3538 37 P 4.7533 0.0000 0.0000 62.3785 32.1154 176.2268 38 I 4.0286 8.5455 122.5206 61.7587 37.5292 176.0821 39 T 4.6789 8.5121 115.2927 60.8884 71.1061 173.5751 40 N 4.3430 8.7372 116.7513 55.0055 35.5012 174.3127 41 C 4.4789 8.0976 114.5561 59.4399 29.4611 173.5655 42 V 4.2664 9.2737 117.5564 60.6538 32.6931 175.4372 43 K 4.6017 8.6093 124.1267 55.2179 33.9826 175.6390 44 M 4.3825 8.4053 123.4620 53.9052 33.6341 176.4746 45 L 4.2040 8.4481 125.5391 53.9932 41.2091 174.9078 46 C 4.9203 7.9173 119.5496 55.7928 32.8979 174.5681 47 T 3.9055 8.3401 109.2090 63.1014 68.6749 174.8290 48 H 4.7399 8.5441 117.1046 56.4772 26.0097 175.0198 49 T 4.4461 7.6768 108.0425 61.3292 68.9699 174.4066 50 G 4.0172 7.8495 112.7125 45.6238 0.0000 174.1125 51 T 3.9065 8.9588 109.2121 62.8523 68.9005 175.9567 52 G 3.9781 8.2289 109.5204 45.2646 0.0000 173.7372 53 Q 4.1120 7.5421 117.5908 55.4752 29.5910 176.3887 54 A 3.9782 8.6163 122.8938 54.6273 19.2418 177.7419 55 I 5.0451 7.4290 115.7456 59.9522 40.3849 174.8641 56 T 4.8327 8.9464 116.7047 59.8054 72.2334 175.3989 57 V 4.0555 8.6297 114.3963 63.1209 32.0747 176.4066 58 T 4.6170 7.5077 108.0732 58.5525 71.7990 171.7394 59 P 4.1752 0.0000 0.0000 63.5340 31.8307 176.2893 60 E 4.6368 9.5330 120.4615 55.7538 31.5380 175.4153 61 A 4.5754 7.7438 122.9092 52.5863 19.0943 178.3098 62 N 5.3225 8.9716 118.7687 50.9746 39.8421 175.3518 63 M 4.2594 8.6152 116.1987 57.7803 32.4348 176.6540 64 D 4.8647 8.7652 118.7474 53.9642 41.2256 175.1588 65 Q 5.1208 7.8506 117.8193 54.5389 33.5829 173.9058 66 E 4.7460 9.0958 118.3801 54.8863 33.6350 175.4164 67 S 5.2308 8.3461 119.1207 57.3209 65.0375 173.1391 68 F 5.3401 9.3863 123.0654 55.1265 42.9183 174.9267 69 G 3.8708 9.4345 110.3487 46.5027 0.0000 174.5127 70 G 3.8766 9.2364 113.3528 48.0998 0.0000 175.6369 71 A 4.0329 7.9874 123.2339 54.6879 18.1020 179.1716 72 S 4.0633 7.4697 109.5078 61.6044 62.8158 175.4641 73 C 4.5200 7.8746 116.7020 58.5230 28.1020 172.2220 74 C 4.7247 7.4258 123.1854 57.5395 32.2750 173.7783 75 L 3.5942 8.4353 129.1161 58.5986 41.5234 178.5243 76 Y 3.8977 7.2333 115.8908 61.0605 37.8532 178.0620 77 C 4.1861 7.9507 117.3255 62.8748 28.1480 176.1864 78 R 3.8447 8.1147 119.0553 58.6740 29.6968 177.9211 79 C 4.1698 7.6795 114.0416 58.8936 28.8705 172.9677 80 H 4.0774 7.6834 116.5464 57.0838 26.1635 173.7332 81 I 4.6307 7.5874 110.8029 58.5442 40.6739 174.5424 82 D 4.5930 8.3658 119.7694 54.5630 41.2456 175.6415 83 H 3.9896 8.2557 118.3047 53.7760 30.0335 173.7261 84 P 4.4995 0.0000 0.0000 62.5555 33.2371 176.3725 85 N 3.4191 8.0799 109.4415 57.2947 38.0766 176.0326 *89 F 4.5269 8.6873 128.2445 58.5860 41.0091 172.0630 90 C 3.9148 6.7158 119.8144 59.8085 31.5521 173.8175 91 D 4.8070 8.6676 125.6390 53.3793 39.7200 176.3375 92 L 4.4813 7.7189 120.3180 56.2971 43.5536 176.8099 93 K 3.8908 7.9917 118.0114 58.1509 32.2137 176.8418 94 G 3.8770 8.8863 113.2113 45.4076 0.0000 172.2700 95 K 4.5563 7.8598 119.1959 54.5252 36.2498 173.9821 96 Y 5.1046 8.8406 117.7534 56.6073 41.2001 175.2945 97 V 4.8642 9.0355 124.2918 61.5726 33.5978 174.3419 98 Q 5.1191 9.0969 127.8463 55.0441 30.0430 175.3425 99 I 4.2689 8.9312 124.6637 58.3394 40.9986 173.2953 100 P 4.5510 0.0000 0.0000 63.4123 31.7126 177.4855 101 T 3.8285 8.8642 121.4645 67.0983 68.1493 176.8504 102 T 3.9803 7.9501 110.2461 64.0068 69.1115 175.0829 103 C 4.5976 7.9356 117.4481 59.1533 28.7634 174.8526 104 A 4.0968 7.4213 122.1855 53.4446 18.0215 177.7702 105 N 4.5609 7.8628 113.9518 53.8923 38.4215 175.1114 106 D 4.7748 7.8708 118.5929 51.4254 41.0542 173.6208 107 P 4.0175 0.0000 0.0000 65.1735 31.8890 178.5892 108 V 4.2197 7.0708 118.1771 65.6095 31.5855 178.2872 109 G 3.9370 8.6124 106.8076 46.9603 0.0000 175.3882 110 F 3.7642 8.6220 123.7324 61.3921 39.0761 177.3843 111 T 3.8811 7.4429 107.4590 64.7273 68.7011 176.3874 112 L 4.1728 7.3705 120.0624 57.3597 41.7714 178.9962 113 R 4.1573 7.8448 116.1934 56.3355 30.4335 175.9026 114 N 4.9959 6.8564 114.5659 51.4063 41.6623 173.5375 115 T 4.9133 8.3287 115.2331 61.9392 71.9723 173.4581 116 V 4.0938 8.3967 125.6219 61.8737 32.8287 174.8786 117 C 4.4410 9.0685 129.7640 59.3307 31.7632 174.5200 118 T 3.8515 8.7762 117.0972 64.0453 68.8080 175.7377 119 V 3.8125 7.8263 121.7739 65.3181 31.5579 176.3578 120 C 4.3251 8.0145 112.4631 57.6137 30.5332 175.0693 121 G 3.8027 8.5176 109.5322 45.9081 0.0000 173.1672 122 M 4.6677 7.0950 119.1378 52.8348 34.2568 175.5148 123 W 4.8752 8.4147 120.4892 56.6248 29.8236 176.3323 124 K 4.3831 9.0429 124.0071 57.8276 31.9408 177.6074 125 G 3.9045 9.5657 111.8301 45.6801 0.0000 172.9627 126 Y 4.8693 8.3709 115.9267 55.8679 38.5603 173.9081 127 G 3.7385 8.5414 111.9202 45.9999 0.0000 173.4076 128 C 4.0854 8.1626 120.7770 60.5334 32.1056 173.3413 129 S 4.0822 8.7942 121.6065 59.2406 62.6426 172.0779 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 9 A 8.12 4.38 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 10 N 8.26 4.12 0.00 2.82 2.85 0.00 0.00 7.14 6.68 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 S 8.86 4.13 0.00 3.87 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 12 T 7.80 3.90 4.41 0.00 0.00 0.00 0.00 0.00 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 13 V 7.62 3.36 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 0.17 0.00 0.00 0.88 0.00 0.00 14 L 8.03 3.79 0.00 1.69 1.58 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.21 4.13 0.00 4.07 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 16 F 8.00 4.40 0.00 3.05 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 17 C 8.26 3.89 0.00 2.91 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 18 A 8.26 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.42 4.51 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.44 4.14 1.07 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 21 V 8.21 3.75 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.44 4.69 0.00 2.80 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.20 0.00 2.07 1.97 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 24 A 7.93 3.95 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 25 K 8.59 3.92 0.00 2.01 2.03 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.48 7.81 26 A 8.10 4.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.17 4.28 0.00 2.94 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.23 3.75 0.00 1.87 2.01 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 29 D 8.42 4.42 0.00 2.92 2.83 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 30 Y 8.45 4.27 0.00 3.32 3.23 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 31 L 8.17 3.62 0.00 1.66 1.50 0.44 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.13 4.06 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 33 S 7.47 4.65 0.00 3.85 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 34 G 7.82 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 35 G 7.07 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.39 4.18 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 37 P 0.00 4.75 0.00 2.26 2.27 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 38 I 8.55 4.03 1.74 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.42 0.86 0.00 0.00 39 T 8.51 4.68 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 1.28 0.00 0.00 40 N 8.74 4.34 0.00 2.92 3.01 0.00 0.00 6.82 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 41 C 8.10 4.48 0.00 3.02 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 42 V 9.27 4.27 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 0.74 0.00 0.00 1.06 0.00 0.00 43 K 8.61 4.60 0.00 1.51 1.47 0.00 1.58 0.00 0.00 1.40 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.33 7.81 44 M 8.41 4.38 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 45 L 8.45 4.20 0.00 1.55 1.57 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.92 4.92 0.00 2.93 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 47 T 8.34 3.91 4.23 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 1.18 0.00 0.00 48 H 8.54 4.74 0.00 3.37 3.43 0.00 5.83 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 49 T 7.68 4.45 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 1.28 0.00 0.00 50 G 7.85 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 51 T 8.96 3.91 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 1.25 0.00 0.00 52 G 8.23 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 53 Q 7.54 4.11 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 54 A 8.62 3.98 -0.03 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 55 I 7.43 5.05 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.96 0.00 0.00 56 T 8.95 4.83 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 1.22 0.00 0.00 57 V 8.63 4.06 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 0.78 0.00 0.00 0.97 0.00 0.00 58 T 7.51 4.62 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 1.21 0.00 0.00 59 P 0.00 4.18 0.00 1.82 1.82 0.00 3.20 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.01 0.00 60 E 9.53 4.64 0.00 1.94 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 2.45 2.38 0.00 61 A 7.74 4.58 1.18 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 0.00 0.00 62 N 8.97 5.32 0.00 2.96 3.02 0.00 0.00 6.89 7.20 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 63 M 8.62 4.26 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 64 D 8.77 4.86 0.00 2.85 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 65 Q 7.85 5.12 0.00 1.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 66 E 9.10 4.75 0.00 1.94 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 2.22 2.28 0.00 67 S 8.35 5.23 0.00 3.65 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 68 F 9.39 5.34 0.00 3.03 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 69 G 9.43 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 70 G 9.24 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 0.00 0.00 0.00 71 A 7.99 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 72 S 7.47 4.06 0.00 4.02 4.01 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 73 C 7.87 4.52 0.00 3.14 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.43 4.72 0.00 2.99 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 75 L 8.44 3.59 0.00 1.37 0.92 0.35 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.23 3.90 0.00 2.61 2.60 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 77 C 7.95 4.19 0.00 3.21 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 78 R 8.11 3.84 0.00 1.75 1.81 0.00 3.22 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 79 C 7.68 4.17 0.00 2.81 2.75 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 80 H 7.68 4.08 0.00 3.28 3.34 0.00 5.59 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 81 I 7.59 4.63 1.83 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 1.36 0.73 0.78 0.00 0.00 82 D 8.37 4.59 0.00 2.65 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 83 H 8.26 3.99 0.00 2.61 2.75 0.00 5.88 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.50 0.00 2.03 1.96 0.00 2.20 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 85 N 8.08 3.42 0.00 2.63 2.61 0.00 0.00 6.89 7.45 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 *89 F 8.69 4.53 0.00 2.90 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 90 C 6.72 3.91 0.00 1.83 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 91 D 8.67 4.81 0.00 2.83 2.75 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 92 L 7.72 4.48 0.00 1.73 1.80 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.99 3.89 0.00 1.77 1.85 0.00 1.95 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.49 7.81 94 G 8.89 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 0.00 0.00 0.00 95 K 7.86 4.56 0.00 1.74 1.92 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.35 7.81 96 Y 8.84 5.10 0.00 2.99 2.91 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 97 V 9.04 4.86 2.32 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 1.49 0.00 0.00 1.07 0.00 0.00 98 Q 9.10 5.12 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.35 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 99 I 8.93 4.27 1.91 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.82 0.18 0.00 0.00 100 P 0.00 4.55 0.00 1.71 1.97 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.08 0.00 101 T 8.86 3.83 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 1.22 0.00 0.00 102 T 7.95 3.98 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 1.25 0.00 0.00 103 C 7.94 4.60 0.00 2.40 2.91 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 0.00 104 A 7.42 4.10 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 0.00 105 N 7.86 4.56 0.00 2.83 2.95 0.00 0.00 5.79 8.06 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 0.00 106 D 7.87 4.77 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.02 0.00 1.70 1.09 0.00 3.47 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 1.43 1.61 0.00 108 V 7.07 4.22 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 1.03 0.00 0.00 0.77 0.00 0.00 109 G 8.61 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 0.00 110 F 8.62 3.76 0.00 3.05 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 0.00 111 T 7.44 3.88 4.43 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 1.47 0.00 0.00 112 L 7.37 4.17 0.00 1.90 1.80 1.00 0.91 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 0.00 113 R 7.84 4.16 0.00 1.52 1.82 0.00 3.02 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 114 N 6.86 5.00 0.00 1.55 2.42 0.00 0.00 6.76 8.67 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 0.00 115 T 8.33 4.91 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 116 V 8.40 4.09 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 0.50 0.00 0.00 0.09 0.00 0.00 117 C 9.07 4.44 0.00 3.06 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 0.00 118 T 8.78 3.85 4.23 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 1.20 0.00 0.00 119 V 7.83 3.81 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 0.85 0.00 0.00 0.93 0.00 0.00 120 C 8.01 4.33 0.00 3.14 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 0.00 121 G 8.52 3.80 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 0.00 0.00 0.00 122 M 7.09 4.67 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 123 W 8.41 4.88 0.00 3.70 3.34 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 0.00 124 K 9.04 4.38 0.00 1.96 1.83 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.47 7.81 125 G 9.57 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 0.00 126 Y 8.37 4.87 0.00 3.23 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 0.00 127 G 8.54 3.74 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 0.00 0.00 0.00 128 C 8.16 4.09 0.00 3.12 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 0.00 129 S 8.79 4.08 0.00 4.05 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 * Residues marked with a * may have inaccurate shift predictions.