NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7892 8.4201 118.1258 53.2927 41.9550 175.7741 0 A 4.4052 7.5704 121.8684 49.8095 17.6857 179.3354 2 S 4.8146 8.7454 119.9118 58.8613 67.3009 172.6133 3 V 3.6018 8.7742 121.2603 66.5504 31.1032 177.9921 4 T 3.8942 7.8351 108.7804 64.8990 68.6712 176.4536 5 K 4.0122 7.9637 120.9889 58.8936 31.8011 179.1703 6 Q 3.9492 8.0414 119.2738 59.1728 29.0743 177.8963 7 L 4.1630 8.2328 119.1599 57.8611 41.9330 179.2195 8 L 4.1533 8.0155 118.8294 57.6347 41.4214 179.9817 9 Q 3.7717 7.9031 116.3387 56.8190 28.8522 177.6997 *11 Q 4.1762 8.0468 120.0854 55.6276 31.0115 177.0046 12 A 4.1270 8.0460 119.4769 55.3990 18.2702 179.3571 13 D 4.3583 8.5915 117.5490 57.4700 40.8314 178.8832 14 A 4.0600 8.0982 120.8828 55.3408 18.5486 178.9705 15 H 3.8453 8.4868 116.8660 59.6037 29.8582 177.0157 16 H 4.0924 8.2158 120.0316 59.3308 29.6875 177.3079 17 L 3.3815 8.1390 121.1311 56.8514 41.0816 179.0981 18 W 4.0091 7.8912 128.0038 60.4352 30.7391 177.9375 19 V 3.2276 7.5994 117.8074 65.7290 31.1188 177.9359 20 K 3.5885 7.8269 119.6886 59.3768 31.8543 178.8172 21 F 4.0649 8.2140 118.3160 60.5721 38.7136 177.3590 22 H 3.2169 7.2693 116.1819 58.1583 28.2404 177.0767 23 N 4.3591 7.3815 118.2743 57.0771 38.6448 176.2686 24 Y 4.0250 7.2101 117.4124 61.2583 37.6783 177.9285 25 H 4.2430 7.9744 119.5354 58.6301 29.9658 176.9714 26 W 4.8122 8.4236 119.5309 58.9416 29.2132 176.7398 27 N 5.3547 8.4054 113.6358 52.7521 39.7596 175.5094 28 V 4.4009 8.0096 119.6546 61.9977 32.6120 175.9220 29 K 4.7202 10.0494 121.8362 55.1194 36.5237 175.6307 30 G 4.1336 9.2194 108.8986 42.8351 0.0000 174.0912 31 L 3.9594 8.4670 121.3444 58.1181 42.1461 177.3620 32 Q 4.5433 7.9970 115.9220 56.0085 29.1225 177.0329 33 F 4.0830 8.5903 122.7177 61.7848 39.1373 177.0639 34 F 3.9261 8.4275 119.5499 61.2597 39.3107 177.0925 35 S 3.9797 8.0763 113.4633 61.4150 62.7296 176.4110 36 I 3.5526 7.6661 123.4545 64.1309 36.8309 177.6508 37 H 3.7731 7.7976 119.2511 59.2928 29.5535 177.1930 38 E 3.6557 7.8376 120.4678 59.3181 29.1900 178.6524 39 Y 3.8044 7.9514 119.9042 60.9029 38.7630 178.3218 40 T 3.7010 8.2195 110.6121 64.0452 68.9162 176.3417 41 E 2.5400 7.4041 122.3534 58.4489 29.6188 178.4140 42 K 3.6341 7.5344 119.4448 59.2890 31.9508 178.4920 43 A 4.0053 7.4036 120.1567 55.4067 18.3780 179.0065 44 Y 4.5156 7.7023 115.0099 60.2197 38.2993 177.9292 45 E 4.4732 8.0536 120.5686 59.1961 29.4532 179.9014 46 E 4.1282 8.2878 116.6799 56.6050 29.6434 178.9450 *48 A 4.0979 7.9754 123.4139 52.3771 20.7164 179.8112 49 E 4.0880 8.4229 115.3644 59.5337 29.3631 179.3975 50 L 4.1958 8.4609 120.6163 58.0308 42.1874 178.6779 51 F 4.1634 8.3786 120.1969 61.5350 39.3267 176.5159 52 D 4.1710 8.2113 117.1697 57.2989 41.0445 178.2941 53 S 3.9988 8.4356 116.0547 61.7663 62.8551 176.5473 54 C 4.0189 8.3494 119.3330 62.5922 27.8747 175.8497 55 A 3.8138 7.5869 122.2722 55.4258 17.8619 179.6795 56 E 3.8933 8.2029 116.9135 59.1965 29.4592 179.6310 57 R 3.7445 7.9237 119.1306 59.1826 30.0955 178.4887 58 V 3.5563 7.7688 118.1117 66.1344 31.4502 178.0875 59 L 4.2951 7.7468 119.8669 57.4351 41.2553 179.4275 60 Q 4.0330 8.0738 117.1509 58.6299 28.6963 178.0375 61 L 4.4011 7.6604 117.2803 54.5650 41.8537 177.5184 62 G 3.8482 8.0325 107.3061 45.4697 0.0000 172.8262 63 E 4.6920 8.2249 119.1789 53.9053 32.5651 174.6799 64 K 4.4523 8.1261 118.2837 54.9452 34.3583 176.3492 65 A 4.1416 8.1494 124.2197 51.7337 19.0977 177.0685 66 I 3.9687 8.2274 121.5630 61.4745 37.4558 176.7113 67 T 4.4881 8.4790 113.2908 61.1542 70.0789 173.0068 68 C 4.7344 7.6954 123.6393 57.4325 33.2699 174.3696 69 Q 4.0209 8.6370 124.8469 58.7531 28.7703 178.1754 70 K 4.0688 8.1118 118.9525 59.4038 32.7151 178.3413 71 V 3.7978 7.7512 118.0349 65.9354 31.1479 178.2981 72 L 3.9308 7.7746 115.1584 55.9210 41.2596 178.7522 *74 E 4.2697 8.1198 120.2910 56.1490 31.3203 176.6622 75 N 4.5816 7.9461 113.9815 54.0359 39.4057 175.6733 76 A 4.2873 7.4492 121.1970 52.5635 18.7135 177.2339 77 K 4.5106 9.2762 119.7838 55.5328 34.0515 176.9763 78 S 2.7900 7.6190 113.5604 56.4068 63.6875 172.1782 79 P 4.2394 0.0000 0.0000 62.6265 31.5786 176.6626 80 K 4.5032 8.3415 121.7886 55.5978 33.3370 176.6113 81 V 4.4310 8.2006 113.8143 59.8738 35.1494 176.8888 82 A 4.6561 8.5075 129.8499 50.2106 17.8799 175.9179 83 K 4.6635 7.4275 121.4738 54.6601 35.8325 174.8837 84 D 5.0766 8.1200 122.2201 52.5707 40.0931 174.4080 85 C 4.8130 6.9451 117.6848 59.2416 34.7125 172.7992 86 F 5.2859 8.7608 123.2220 56.2009 43.6626 174.3794 87 T 4.7776 9.0235 112.7712 60.0089 70.3513 174.0459 88 P 4.1684 0.0000 0.0000 65.8060 31.2181 178.9427 89 L 3.9211 7.8455 117.1790 57.8155 41.4674 179.1742 90 E 3.9139 8.1007 118.3465 59.4396 29.3277 179.6898 91 V 2.8091 7.5750 118.0970 65.7180 31.4862 178.2099 92 I 3.4083 7.4864 119.5552 64.2022 36.9767 178.2735 93 E 3.8641 8.2888 119.7679 59.3979 29.2790 179.4870 94 L 3.9442 7.8707 119.1773 57.7528 41.5859 179.6150 95 I 3.6458 7.6442 120.1949 63.9441 36.8844 178.1192 96 K 3.8274 7.9536 120.5937 59.8979 31.9859 178.7355 97 Q 4.0658 7.9620 117.7443 59.0677 28.5414 178.6098 98 D 4.5329 8.3663 119.9451 57.7964 40.8611 178.5212 99 Y 4.3418 8.5923 117.6996 61.0939 37.8622 178.2574 100 E 4.0776 8.6754 119.8578 59.3721 29.5451 178.7026 101 Y 4.0165 8.2354 119.5617 60.6823 38.9356 177.9798 102 L 3.6943 8.1991 119.9487 57.7374 41.7646 179.1982 103 L 4.0874 8.1931 120.1764 58.3831 42.1162 178.9409 104 A 3.9982 7.9787 120.4970 55.1922 18.2119 179.4986 105 E 3.7647 7.7683 117.1238 59.3386 29.3979 179.5008 106 F 4.2477 8.5903 118.1624 60.2972 38.8840 177.8962 107 K 4.0456 8.2591 118.4992 59.2919 31.7395 179.5528 108 K 4.0034 7.8897 118.5108 59.0598 31.8463 179.1213 109 L 3.9367 8.1113 120.8276 58.1302 41.9968 178.3717 110 N 4.2816 8.4488 117.2125 56.8675 38.9164 176.1852 111 E 3.9118 8.3297 120.2664 59.3073 29.7475 178.6258 112 A 3.9897 8.2962 120.6007 55.1631 18.3768 179.4563 113 A 3.9955 8.3914 119.6357 55.3113 18.4426 179.7696 114 E 3.9109 8.6070 117.4797 59.6154 29.3788 179.7915 115 K 4.0380 8.0084 117.0617 58.8258 32.1291 178.1902 116 E 4.3848 7.7714 115.8691 55.0978 29.8854 175.9520 117 S 3.6707 7.8309 114.0760 59.4949 61.3389 173.5362 118 D 4.6729 8.0811 121.2061 53.0997 40.0683 175.2922 119 T 3.9420 8.1066 117.1680 64.5382 69.0487 176.5245 120 T 3.8578 7.8992 118.0175 66.9693 68.5820 176.6984 121 T 4.0866 8.2909 117.3903 66.3269 68.3278 176.7752 122 A 4.0178 8.2181 122.6759 55.1776 18.3689 179.4919 123 A 3.9335 8.2579 119.4153 55.2065 18.5554 179.5493 124 F 4.1467 8.4195 118.9038 61.4239 39.4030 177.1852 125 A 3.7697 8.4315 120.6569 55.3638 18.1580 179.7233 126 Q 3.8442 8.3340 116.9043 58.7811 28.7848 178.3282 127 E 3.7810 8.2946 120.7528 59.5416 29.6474 178.8196 128 N 3.9122 7.4542 115.7553 55.8306 38.3087 177.5510 129 I 3.6612 7.6485 121.5371 64.2405 37.3137 178.2237 130 A 3.9251 8.0451 121.7712 54.9216 18.1872 179.5621 131 K 3.6248 7.5764 117.9433 59.9094 32.2519 178.6378 132 Y 4.1471 7.7529 116.5501 60.4444 37.7773 177.9214 133 E 4.0636 8.3440 120.0453 59.1349 29.3427 179.1551 134 K 4.0705 7.7019 118.0265 59.8026 32.4287 178.6727 135 S 4.3907 7.8756 113.9402 61.7845 62.9863 176.5176 136 L 4.3537 8.7329 122.0667 57.2602 41.3125 179.3162 137 W 4.4424 8.1360 124.3663 58.8411 30.3417 177.2343 *139 I 3.9544 7.7368 119.9737 61.0669 38.7197 178.1567 140 G 3.5670 8.3139 109.1892 48.4272 0.0000 175.5991 141 A 4.2007 7.5467 121.7319 54.5479 18.5027 179.0006 142 T 3.9073 7.5259 111.6271 66.1663 68.6609 175.4485 143 L 4.2291 7.2896 119.3899 55.9250 41.9517 177.1807 144 Q 4.2392 7.7925 117.7874 55.4161 29.4049 174.9056 145 G 4.0901 8.1525 107.9922 43.4609 0.0000 173.8518 146 A 4.1262 8.3097 125.7317 51.6913 19.1900 177.4344 147 C 4.2301 8.7013 117.1659 60.3898 28.1582 174.1196 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 N 8.42 4.79 0.00 2.73 2.95 0.00 0.00 6.91 6.46 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 0 A 7.57 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.75 4.81 0.00 4.13 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 3 V 8.77 3.60 2.19 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 0.95 0.00 0.00 1.06 0.00 0.00 4 T 7.84 3.89 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 1.20 0.00 0.00 5 K 7.96 4.01 0.00 1.80 1.89 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.58 7.81 6 Q 8.04 3.95 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 7 L 8.23 4.16 0.00 1.76 1.71 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.02 4.15 0.00 1.85 1.70 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.90 3.77 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 *11 Q 8.05 4.18 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 12 A 8.05 4.13 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 13 D 8.59 4.36 0.00 2.78 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 14 A 8.10 4.06 1.50 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 0.00 0.00 15 H 8.49 3.85 0.00 3.16 3.58 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.22 4.09 0.00 3.22 3.39 0.00 5.64 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 17 L 8.14 3.38 0.00 1.47 0.64 0.99 0.56 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 18 W 7.89 4.01 0.00 3.17 3.17 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 0.00 19 V 7.60 3.23 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 0.84 0.00 0.00 1.00 0.00 0.00 20 K 7.83 3.59 0.00 1.52 1.27 0.00 1.66 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.84 1.22 7.81 21 F 8.21 4.06 0.00 2.82 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 22 H 7.27 3.22 0.00 2.22 1.31 0.00 5.83 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 23 N 7.38 4.36 0.00 2.78 2.83 0.00 0.00 7.20 7.56 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 24 Y 7.21 4.03 0.00 2.95 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 25 H 7.97 4.24 0.00 3.01 3.05 0.00 5.79 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 26 W 8.42 4.81 0.00 3.57 3.18 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 27 N 8.41 5.35 0.00 3.29 3.14 0.00 0.00 6.73 7.57 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 28 V 8.01 4.40 2.26 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 0.71 0.00 0.00 1.00 0.00 0.00 29 K 10.05 4.72 0.00 1.68 1.73 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.55 7.81 30 G 9.22 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 31 L 8.47 3.96 0.00 1.62 1.75 0.95 0.71 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 32 Q 8.00 4.54 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 33 F 8.59 4.08 0.00 3.33 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 3.93 0.00 3.33 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 35 S 8.08 3.98 0.00 4.03 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 36 I 7.67 3.55 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.76 0.00 0.00 37 H 7.80 3.77 0.00 2.29 2.83 0.00 5.78 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 38 E 7.84 3.66 0.00 1.69 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 1.47 1.94 0.00 39 Y 7.95 3.80 0.00 3.02 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 40 T 8.22 3.70 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 1.20 0.00 0.00 41 E 7.40 2.54 0.00 1.76 1.75 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 1.88 1.65 0.00 42 K 7.53 3.63 0.00 1.67 1.58 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.30 7.81 43 A 7.40 4.01 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 44 Y 7.70 4.52 0.00 2.69 2.96 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 45 E 8.05 4.47 0.00 2.23 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 2.50 2.44 0.00 46 E 8.29 4.13 0.00 2.34 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 2.35 2.49 0.00 *48 A 7.98 4.10 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 49 E 8.42 4.09 0.00 2.34 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 0.00 2.41 2.59 0.00 50 L 8.46 4.20 0.00 2.11 1.89 1.42 1.30 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 51 F 8.38 4.16 0.00 3.11 3.22 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 52 D 8.21 4.17 0.00 2.96 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 53 S 8.44 4.00 0.00 4.11 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.35 4.02 0.00 2.91 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 55 A 7.59 3.81 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 56 E 8.20 3.89 0.00 1.99 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 0.00 2.26 2.31 0.00 57 R 7.92 3.74 0.00 1.75 1.86 0.00 3.22 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 58 V 7.77 3.56 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 1.00 0.00 0.00 0.92 0.00 0.00 59 L 7.75 4.30 0.00 1.85 1.65 0.85 0.86 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 60 Q 8.07 4.03 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 61 L 7.66 4.40 0.00 1.72 1.68 0.90 0.73 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 62 G 8.03 3.85 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 0.00 0.00 0.00 63 E 8.22 4.69 0.00 1.98 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 2.19 2.18 0.00 64 K 8.13 4.45 0.00 1.81 1.76 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.38 7.81 65 A 8.15 4.14 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 66 I 8.23 3.97 1.93 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 1.34 0.54 0.94 0.00 0.00 67 T 8.48 4.49 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 68 C 7.70 4.73 0.00 2.95 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 69 Q 8.64 4.02 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 70 K 8.11 4.07 0.00 1.78 1.88 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.50 7.81 71 V 7.75 3.80 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 1.01 0.00 0.00 0.93 0.00 0.00 72 L 7.77 3.93 0.00 1.86 1.68 0.79 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *74 E 8.12 4.27 0.00 1.98 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 2.21 2.47 0.00 75 N 7.95 4.58 0.00 2.83 2.88 0.00 0.00 6.96 6.90 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 76 A 7.45 4.29 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 77 K 9.28 4.51 0.00 1.78 1.86 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.53 7.81 78 S 7.62 2.79 0.00 3.64 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.07 2.02 0.00 3.58 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 80 K 8.34 4.50 0.00 1.75 1.76 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.39 7.81 81 V 8.20 4.43 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 0.89 0.00 0.00 1.18 0.00 0.00 82 A 8.51 4.66 1.27 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 83 K 7.43 4.66 0.00 1.78 1.34 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.08 1.37 7.81 84 D 8.12 5.08 0.00 2.79 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 85 C 6.95 4.81 0.00 2.86 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 86 F 8.76 5.29 0.00 2.91 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 87 T 9.02 4.78 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 1.23 0.00 0.00 88 P 0.00 4.17 0.00 2.14 2.09 0.00 3.62 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 89 L 7.85 3.92 0.00 1.65 1.67 0.89 0.89 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 90 E 8.10 3.91 0.00 2.36 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 0.00 2.37 2.34 0.00 91 V 7.57 2.81 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 0.58 0.00 0.00 0.64 0.00 0.00 92 I 7.49 3.41 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.22 0.71 0.00 0.00 93 E 8.29 3.86 0.00 2.04 1.94 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 2.27 2.50 0.00 94 L 7.87 3.94 0.00 1.22 1.53 0.85 1.19 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 95 I 7.64 3.65 1.66 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.13 0.00 0.00 96 K 7.95 3.83 0.00 1.84 1.97 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.54 7.81 97 Q 7.96 4.07 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 98 D 8.37 4.53 0.00 3.01 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 99 Y 8.59 4.34 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 0.00 100 E 8.68 4.08 0.00 2.26 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 2.43 2.60 0.00 101 Y 8.24 4.02 0.00 3.13 3.20 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 0.00 102 L 8.20 3.69 0.00 1.58 1.46 0.84 0.40 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 0.00 103 L 8.19 4.09 0.00 1.89 1.94 1.02 1.09 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 0.00 104 A 7.98 4.00 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 0.00 105 E 7.77 3.76 0.00 1.63 1.64 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 1.47 1.72 0.00 106 F 8.59 4.25 0.00 3.13 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 0.00 107 K 8.26 4.05 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.67 7.81 108 K 7.89 4.00 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.58 7.81 109 L 8.11 3.94 0.00 1.86 1.96 1.00 0.71 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 0.00 110 N 8.45 4.28 0.00 2.98 2.98 0.00 0.00 6.91 8.10 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 0.00 111 E 8.33 3.91 0.00 2.09 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 2.32 2.34 0.00 112 A 8.30 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 0.00 113 A 8.39 4.00 1.50 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 0.00 0.00 114 E 8.61 3.91 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 2.34 2.51 0.00 115 K 8.01 4.04 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.69 7.81 116 E 7.77 4.38 0.00 1.96 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 2.29 2.34 0.00 117 S 7.83 3.67 0.00 4.00 3.92 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 0.00 0.00 0.00 118 D 8.08 4.67 0.00 2.70 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 0.00 119 T 8.11 3.94 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 1.22 0.00 0.00 120 T 7.90 3.86 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 1.20 0.00 0.00 121 T 8.29 4.09 4.35 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 1.38 0.00 0.00 122 A 8.22 4.02 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 0.00 123 A 8.26 3.93 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 0.00 124 F 8.42 4.15 0.00 3.13 3.36 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 0.00 125 A 8.43 3.77 1.50 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 0.00 0.00 126 Q 8.33 3.84 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 127 E 8.29 3.78 0.00 2.02 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 2.16 2.26 0.00 128 N 7.45 3.91 0.00 1.47 1.42 0.00 0.00 7.07 6.98 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 0.00 129 I 7.65 3.66 1.93 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 1.50 0.89 0.90 0.00 0.00 130 A 8.05 3.93 1.27 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 0.00 131 K 7.58 3.62 0.00 1.52 1.44 0.00 1.28 0.00 0.00 0.98 0.00 0.00 2.73 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.31 1.03 7.81 132 Y 7.75 4.15 0.00 3.06 2.96 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 0.00 133 E 8.34 4.06 0.00 2.03 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 2.38 2.63 0.00 134 K 7.70 4.07 0.00 1.81 1.99 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.71 7.81 135 S 7.88 4.39 0.00 3.99 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 0.00 136 L 8.73 4.35 0.00 1.90 1.86 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.14 4.44 0.00 3.42 3.43 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 *139 I 7.74 3.95 1.89 0.00 0.00 1.00 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 0.96 0.82 0.00 0.00 140 G 8.31 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 0.00 141 A 7.55 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.53 3.91 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 1.06 0.00 0.00 143 L 7.29 4.23 0.00 1.58 1.66 0.85 1.08 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 0.00 144 Q 7.79 4.24 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 145 G 8.15 4.09 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 0.00 146 A 8.31 4.13 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 0.00 147 C 8.70 4.23 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.