NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4312 8.4345 117.0992 58.2925 63.9115 173.8266 10 D 5.6032 8.4304 120.0465 51.4681 40.6426 174.3820 11 K 4.2941 8.6091 120.7245 56.0287 33.9310 174.7143 12 P 4.8217 0.0000 0.0000 62.4981 32.3145 175.7172 13 V 5.0958 8.5858 122.7209 60.4515 35.6951 174.1318 14 A 4.8255 8.5590 121.2862 51.5785 23.3161 175.5100 15 H 4.6122 8.9141 121.8275 55.4649 32.1653 172.4125 16 V 4.8697 8.6645 119.0271 59.5678 34.7648 175.1529 17 V 5.3535 8.5914 114.9221 59.2506 36.3795 174.6784 18 A 4.2184 8.6104 123.9909 51.8614 19.0698 177.2148 19 N 4.3851 9.0790 122.4867 52.3254 38.9898 174.0636 20 P 3.7411 0.0000 0.0000 65.1718 31.5606 177.5493 21 Q 3.9975 8.2645 119.9087 58.6299 29.1893 176.4775 22 A 4.2156 7.8992 124.5497 52.0394 16.0172 175.5052 23 E 4.1719 8.3144 116.6117 56.8488 30.5262 177.3092 24 G 4.0288 9.3080 113.4647 45.8944 0.0000 173.6297 25 Q 4.5284 7.9046 116.0564 52.8013 31.9806 178.8120 26 L 4.1749 8.2032 121.1119 53.6199 41.6549 174.4937 27 Q 4.5007 7.6043 126.2579 53.4472 30.9394 174.2878 28 W 5.0950 8.5659 127.6108 57.0326 30.0245 176.0480 29 S 4.8311 9.5516 117.9571 56.6186 65.7476 173.7706 30 N 4.9185 8.8353 120.9306 52.8113 37.5853 175.2049 31 R 4.1721 7.9891 117.0028 57.1167 30.5201 176.4823 32 R 4.2754 7.6168 118.2109 54.8771 31.4902 174.8798 33 A 4.3637 8.1959 122.1702 52.5327 19.5421 176.3572 34 N 4.2519 8.8044 114.4308 54.5653 35.5022 174.2647 35 A 4.9302 7.9026 117.8503 50.6304 22.8445 175.4206 36 L 4.8839 9.8796 119.0451 52.3590 45.4843 175.7943 37 L 5.3756 7.4186 134.3062 55.6504 42.4068 171.5505 38 A 4.6114 8.5392 127.6035 50.6300 23.1485 175.4284 39 N 4.5221 9.9567 112.8100 54.8064 36.1623 176.0560 40 G 4.1118 8.4688 106.1088 45.5024 0.0000 175.1248 41 V 3.8845 7.5395 119.3379 62.9317 32.2441 175.0408 42 E 4.6845 8.5474 127.3917 54.3001 32.8627 174.4009 43 L 4.9133 8.5142 126.5673 53.6384 42.8040 176.3102 44 R 4.3776 9.1750 125.0012 55.4981 32.8622 174.7131 45 D 4.3420 9.4265 126.3155 55.9357 38.0635 173.5249 46 N 4.3318 8.4163 112.1961 54.2616 38.3618 172.7433 47 Q 5.0321 8.0042 115.2658 54.3389 32.5301 174.5246 48 L 4.6128 8.2516 122.7938 54.1361 42.8479 175.7954 49 V 4.5697 8.6062 124.5059 60.9930 33.8726 174.8273 50 V 3.9708 8.8240 129.2154 62.0261 31.6343 175.1848 51 P 4.5305 0.0000 0.0000 65.3673 31.7745 175.8928 52 I 4.5021 7.3089 115.9625 59.2729 40.7893 173.2897 53 E 4.3282 8.8077 125.0917 55.4230 30.2077 176.3479 54 G 3.9274 7.7305 110.9188 46.4566 0.0000 170.4452 55 L 5.1223 7.5062 119.5364 53.5286 43.3527 176.2966 56 F 5.3475 9.1657 122.1558 55.5328 43.2141 173.7858 57 L 4.9650 8.8839 124.5659 54.2282 43.8133 175.2209 58 I 5.2400 9.1397 127.2154 59.7939 40.5608 174.1973 59 Y 5.2069 7.8374 123.1295 56.3991 42.0218 173.2049 60 S 5.0175 7.9413 111.9032 57.9620 66.9293 174.7440 61 Q 5.5739 7.6133 124.5620 53.3895 32.6932 174.1861 62 V 4.5036 7.9346 116.8065 59.2959 36.2320 173.9006 63 L 4.9205 8.1818 125.8421 53.3726 44.5656 174.7282 64 F 5.4355 8.9983 125.2838 55.9883 41.6121 174.9820 65 K 4.5619 8.4740 123.6960 54.0934 35.0437 175.4723 66 G 3.2269 5.3800 112.5950 43.9927 0.0000 171.4879 67 Q 4.2338 8.5970 120.3343 54.6005 28.9088 176.8339 68 G 3.8422 8.4930 117.6940 46.9107 0.0000 170.9631 69 C 5.0561 8.3502 106.4417 54.2402 42.1408 174.3620 70 P 4.3434 0.0000 0.0000 63.9904 29.4459 176.4920 71 S 4.1563 8.4016 116.6315 59.0778 62.2613 166.2230 72 T 3.2948 8.2167 125.5920 63.3595 68.4925 171.2781 73 H 4.8551 8.6210 122.4540 54.3193 30.2311 174.6938 74 V 4.3158 8.1503 123.6575 61.2995 33.1426 174.5267 75 L 4.8706 8.1690 124.3659 52.8476 44.6526 175.6076 76 L 4.7895 8.9126 122.6048 53.0135 44.5760 175.5577 77 T 5.1317 8.6791 113.6555 60.1603 72.1773 172.7099 78 H 5.5867 9.0888 123.4241 54.9939 33.2276 172.0470 79 T 5.0220 9.1622 115.2858 60.1787 72.9253 172.7268 80 I 5.3017 8.4840 124.4301 59.2565 39.2441 175.1225 81 S 5.0793 8.4721 121.2190 56.4487 66.7993 172.7797 82 R 4.9849 8.9105 120.4309 54.4667 33.3191 173.6503 83 I 4.4963 8.3505 119.7939 58.9516 39.8946 175.3760 84 A 3.8207 8.5543 130.0412 53.1505 19.6202 180.3617 85 V 2.7120 8.8971 113.8572 63.3899 33.9131 173.9535 86 S 4.1664 8.1910 123.6113 59.1320 64.9608 175.1891 *87 Y 3.4993 8.6562 131.6156 58.3895 33.9736 168.0866 88 Q 4.4901 7.8441 119.8492 55.2666 30.0254 178.3842 89 T 3.8088 8.4733 113.2646 64.9794 68.8426 173.9829 90 K 4.4609 8.7291 128.1775 56.3011 33.0686 176.2293 91 V 4.5419 8.5091 126.2344 59.8907 34.9411 174.2305 92 N 4.8022 8.6384 120.3648 52.7197 38.6743 174.9935 93 L 4.1116 8.4529 125.0497 56.8668 42.6094 177.6452 94 L 4.9660 7.4883 116.5131 53.2917 46.3514 175.6483 95 S 5.0388 8.4636 114.8130 57.3089 65.5902 173.1958 96 A 4.8814 9.0310 127.4590 50.4911 22.7183 174.9144 97 I 5.1113 8.3598 120.2287 59.6978 41.3526 174.7046 98 K 4.8043 9.1039 123.7771 54.9644 37.4118 175.6414 99 S 4.6136 8.2560 115.2175 56.1567 64.3666 172.1833 100 P 3.9733 0.0000 0.0000 64.6402 31.1633 177.4757 101 C 4.7014 7.4240 115.5249 54.6589 42.1710 172.8933 102 Q 3.9635 8.5483 126.8480 57.6054 30.7992 176.6553 103 R 4.1934 7.7883 116.6562 56.6051 30.2682 179.0064 104 E 4.6402 8.0352 109.8751 56.6651 31.6225 175.8408 105 T 4.8255 8.1775 114.5715 57.7707 71.9534 173.3125 106 P 4.4543 0.0000 0.0000 64.4058 29.4661 177.2501 107 E 3.6083 9.2097 123.7057 54.9158 27.7131 174.2122 108 G 3.9482 8.4307 105.8242 46.0455 0.0000 177.1958 109 A 4.5102 7.6441 128.8127 51.0489 22.0052 176.9544 110 E 4.6319 8.0886 107.6649 55.3289 30.6304 170.9660 111 A 3.6262 8.0006 123.2493 52.6112 15.4044 177.5091 112 K 4.3796 7.7861 120.6218 54.9349 33.8996 174.7888 113 P 4.7034 0.0000 0.0000 62.3782 32.3526 175.4390 114 W 5.0649 8.1352 119.7467 54.9802 31.6734 173.7710 115 Y 5.4467 8.7257 116.7129 56.9785 42.0051 175.4164 116 E 4.7492 9.5708 122.4587 55.3122 33.3134 172.9392 117 P 5.1976 0.0000 0.0000 62.1789 33.6326 175.9689 118 I 4.6003 8.6647 121.3747 60.4366 40.9707 173.3721 119 Y 5.0708 8.8359 128.4719 55.8657 40.9194 174.7391 120 L 4.9449 7.6403 124.5662 53.2228 46.5211 175.7494 121 G 4.5303 8.8095 104.8424 45.8374 0.0000 172.7038 122 G 4.4560 9.5498 111.6789 45.5232 0.0000 171.5316 123 V 5.0698 7.8358 119.7557 61.0593 33.2965 174.7699 124 F 4.9407 9.1115 125.5053 55.5913 43.7307 173.9023 125 Q 4.7626 8.9709 123.1599 55.9972 29.4649 174.9603 126 L 4.9367 9.1403 126.6022 53.1844 45.4493 175.1965 127 E 5.0506 8.9322 118.3639 53.9554 33.9036 175.6595 128 K 4.0321 8.7130 123.2830 58.5820 31.9603 175.3557 129 G 4.1686 9.6109 117.2041 45.9148 0.0000 174.0256 130 D 4.6474 7.9976 119.7043 55.0858 41.9313 176.4654 131 R 5.0099 8.4613 119.4857 54.4559 32.2820 175.0929 132 L 5.2839 9.0065 120.8314 53.2690 45.4949 175.5703 133 S 4.8301 8.7987 115.8836 56.9563 67.2930 173.2144 134 A 4.4123 8.5559 124.7947 49.9008 19.0328 174.7351 135 E 4.8163 9.2008 120.8088 55.0740 32.3658 174.9174 136 I 5.8771 8.5279 114.8248 58.4842 40.7453 174.2793 137 N 4.7844 9.0177 117.6735 52.8083 39.2878 175.4518 138 R 4.7386 7.9858 118.2915 52.1712 30.5454 173.9823 139 P 4.4850 0.0000 0.0000 65.0902 32.2341 179.1930 140 D 4.3759 8.0491 118.1682 55.4626 39.6911 176.5409 141 Y 5.0064 8.1432 117.0971 57.6141 39.4996 175.4122 142 L 4.0658 7.7651 122.8502 55.6322 42.6161 176.6348 143 D 4.5720 8.7959 127.3412 51.5838 40.8345 175.2477 144 F 4.9027 6.7693 120.3845 55.6132 38.9833 178.6136 145 A 3.8149 7.7381 129.4365 57.2077 18.2388 178.4795 146 E 4.6904 7.9978 108.2153 56.6051 34.5903 179.5081 147 S 3.5943 8.2798 111.7897 61.8316 62.6682 175.2308 148 G 4.2650 8.5108 108.0314 45.1031 0.0000 171.7120 149 Q 4.4026 8.2999 121.0078 57.2549 30.5824 176.4966 150 V 4.7503 7.8654 117.7829 61.2296 34.7618 174.2326 151 Y 5.6993 8.1822 124.6541 56.2554 42.4792 173.4641 152 F 4.8193 8.7952 116.8618 57.5538 43.6403 172.9383 153 G 4.0942 7.5454 112.4578 45.2614 0.0000 171.1395 154 I 5.7030 7.9901 111.5344 59.4670 41.7370 173.9591 155 I 5.0672 8.3289 121.2076 59.7113 41.4803 173.2874 156 A 3.6332 8.9144 134.8574 52.4112 18.7360 178.1478 *157 L 4.0021 8.5965 122.9379 54.5218 41.7304 173.2640 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 S 8.43 4.43 0.00 3.65 3.72 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 10 D 8.43 5.60 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.61 4.29 0.00 1.74 1.75 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 12 P 0.00 4.82 0.00 2.41 2.16 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 13 V 8.59 5.10 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 0.86 0.00 0.00 0.97 0.00 0.00 14 A 8.56 4.83 1.04 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 0.00 0.00 15 H 8.91 4.61 0.00 3.31 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.66 4.87 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 0.55 0.00 0.00 0.70 0.00 0.00 17 V 8.59 5.35 2.40 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 0.84 0.00 0.00 1.02 0.00 0.00 18 A 8.61 4.22 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 19 N 9.08 4.39 0.00 2.68 2.50 0.00 0.00 6.72 7.53 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 20 P 0.00 3.74 0.00 2.25 2.24 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 21 Q 8.26 4.00 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.32 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 22 A 7.90 4.22 1.17 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 0.00 0.00 23 E 8.31 4.17 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 24 G 9.31 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 0.00 0.00 0.00 25 Q 7.90 4.53 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 26 L 8.20 4.17 0.00 1.39 1.40 -0.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.60 4.50 0.00 1.99 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 28 W 8.57 5.10 0.00 3.32 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 29 S 9.55 4.83 0.00 3.85 3.66 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 0.00 0.00 0.00 0.00 30 N 8.84 4.92 0.00 2.96 2.86 0.00 0.00 6.10 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 31 R 7.99 4.17 0.00 1.85 2.02 0.00 3.32 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 32 R 7.62 4.28 0.00 1.80 1.89 0.00 3.26 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 33 A 8.20 4.36 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 34 N 8.80 4.25 0.00 2.94 2.99 0.00 0.00 6.69 7.36 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 35 A 7.90 4.93 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 36 L 9.88 4.88 0.00 1.62 1.57 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.42 5.38 0.00 1.67 1.67 0.90 0.88 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 38 A 8.54 4.61 1.21 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 0.00 0.00 39 N 9.96 4.52 0.00 3.03 2.95 0.00 0.00 7.23 8.22 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 40 G 8.47 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 0.00 0.00 0.00 41 V 7.54 3.88 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 0.67 0.00 0.00 1.03 0.00 0.00 42 E 8.55 4.68 0.00 2.05 1.70 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 2.17 2.23 0.00 43 L 8.51 4.91 0.00 1.57 1.63 1.03 0.97 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 44 R 9.17 4.38 0.00 1.73 1.72 0.00 3.46 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 45 D 9.43 4.34 0.00 2.88 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 46 N 8.42 4.33 0.00 2.87 2.97 0.00 0.00 7.08 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 47 Q 8.00 5.03 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 48 L 8.25 4.61 0.00 1.25 1.29 -0.29 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.61 4.57 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 0.94 0.00 0.00 0.90 0.00 0.00 50 V 8.82 3.97 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 0.77 0.00 0.00 0.62 0.00 0.00 51 P 0.00 4.53 0.00 2.26 2.29 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 52 I 7.31 4.50 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 1.00 0.00 0.00 53 E 8.81 4.33 0.00 2.02 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 2.56 2.29 0.00 54 G 7.73 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.51 5.12 0.00 1.53 1.58 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.17 5.35 0.00 3.06 2.92 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 57 L 8.88 4.97 0.00 1.90 1.70 1.07 0.92 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 58 I 9.14 5.24 2.28 0.00 0.00 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 1.29 0.67 0.94 0.00 0.00 59 Y 7.84 5.21 0.00 3.15 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 60 S 7.94 5.02 0.00 3.64 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 61 Q 7.61 5.57 0.00 1.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 62 V 7.93 4.50 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 0.45 0.00 0.00 0.34 0.00 0.00 63 L 8.18 4.92 0.00 1.72 1.46 1.13 1.01 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 64 F 9.00 5.44 0.00 3.42 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 65 K 8.47 4.56 0.00 1.47 1.49 0.00 1.66 0.00 0.00 1.38 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.68 0.27 7.81 66 G 5.38 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 0.00 0.00 0.00 67 Q 8.60 4.23 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 5.89 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 68 G 8.49 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 69 C 8.35 5.06 0.00 3.12 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 70 P 0.00 4.34 0.00 2.09 2.10 0.00 3.82 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 2.06 2.14 0.00 71 S 8.40 4.16 0.00 4.05 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 72 T 8.22 3.29 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 1.21 0.00 0.00 73 H 8.62 4.86 0.00 3.09 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.15 4.32 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 0.90 0.00 0.00 1.06 0.00 0.00 75 L 8.17 4.87 0.00 1.48 1.46 0.89 0.89 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 76 L 8.91 4.79 0.00 1.44 1.17 0.67 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.68 5.13 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 78 H 9.09 5.59 0.00 3.38 3.23 0.00 5.56 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 79 T 9.16 5.02 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 1.21 0.00 0.00 80 I 8.48 5.30 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 1.02 0.86 0.00 0.00 81 S 8.47 5.08 0.00 3.94 4.05 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 82 R 8.91 4.98 0.00 1.70 1.65 0.00 2.96 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 83 I 8.35 4.50 2.00 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 1.15 0.78 0.94 0.00 0.00 84 A 8.55 3.82 1.28 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 0.00 0.00 85 V 8.90 2.71 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 0.77 0.00 0.00 0.93 0.00 0.00 86 S 8.19 4.17 0.00 3.86 3.70 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 *87 Y 8.66 3.50 0.00 2.47 2.16 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 88 Q 7.84 4.49 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 6.72 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 89 T 8.47 3.81 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 1.21 0.00 0.00 90 K 8.73 4.46 0.00 1.76 1.70 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 91 V 8.51 4.54 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 0.87 0.00 0.00 0.92 0.00 0.00 92 N 8.64 4.80 0.00 2.61 2.77 0.00 0.00 6.99 7.84 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 93 L 8.45 4.11 0.00 1.08 0.50 0.34 0.51 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 94 L 7.49 4.97 0.00 1.48 1.51 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.46 5.04 0.00 3.82 3.69 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 96 A 9.03 4.88 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 97 I 8.36 5.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.94 0.00 0.00 98 K 9.10 4.80 0.00 1.64 1.57 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.40 7.81 99 S 8.26 4.61 0.00 3.64 3.70 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 0.00 100 P 0.00 3.97 0.00 0.49 0.49 0.00 3.57 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.00 101 C 7.42 4.70 0.00 2.80 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 0.00 102 Q 8.55 3.96 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.94 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 103 R 7.79 4.19 0.00 1.87 1.70 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 104 E 8.04 4.64 0.00 1.92 1.73 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 2.07 1.80 0.00 105 T 8.18 4.83 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 1.21 0.00 0.00 106 P 0.00 4.45 0.00 2.20 2.14 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 107 E 9.21 3.61 0.00 2.18 1.73 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 2.12 1.86 0.00 108 G 8.43 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 0.00 0.00 0.00 109 A 7.64 4.51 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 0.00 110 E 8.09 4.63 0.00 1.93 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 0.00 2.12 1.85 0.00 111 A 8.00 3.63 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.38 0.00 1.76 1.79 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.42 7.81 113 P 0.00 4.70 0.00 1.84 1.91 0.00 3.72 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 2.02 1.97 0.00 114 W 8.14 5.06 0.00 3.28 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 0.00 115 Y 8.73 5.45 0.00 2.89 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 0.00 116 E 9.57 4.75 0.00 2.21 2.01 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 2.39 2.22 0.00 117 P 0.00 5.20 0.00 2.15 2.11 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 118 I 8.66 4.60 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 1.10 0.00 0.00 119 Y 8.84 5.07 0.00 3.08 2.92 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 0.00 120 L 7.64 4.94 0.00 1.44 1.39 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.81 4.53 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 0.00 0.00 0.00 122 G 9.55 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.84 5.07 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 0.89 0.00 0.00 0.95 0.00 0.00 124 F 9.11 4.94 0.00 3.10 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 0.00 125 Q 8.97 4.76 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 126 L 9.14 4.94 0.00 1.79 1.53 0.62 0.57 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 0.00 127 E 8.93 5.05 0.00 2.10 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 2.26 2.25 0.00 128 K 8.71 4.03 0.00 1.80 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.65 7.81 129 G 9.61 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 0.00 0.00 0.00 0.00 130 D 8.00 4.65 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.46 5.01 0.00 1.83 1.99 0.00 2.70 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 132 L 9.01 5.28 0.00 1.54 1.68 0.69 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.80 4.83 0.00 3.72 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.56 4.41 -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 0.00 135 E 9.20 4.82 0.00 1.94 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 2.27 2.21 0.00 136 I 8.53 5.88 2.27 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.75 1.04 0.00 0.00 137 N 9.02 4.78 0.00 2.72 2.96 0.00 0.00 5.76 7.88 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 0.00 138 R 7.99 4.74 0.00 1.89 2.01 0.00 3.51 0.00 0.00 3.33 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 139 P 0.00 4.48 0.00 2.41 2.33 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 140 D 8.05 4.38 0.00 2.63 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.14 5.01 0.00 3.27 3.05 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 0.00 142 L 7.77 4.07 0.00 1.94 1.33 1.09 0.91 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 0.00 143 D 8.80 4.57 0.00 2.59 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 0.00 144 F 6.77 4.90 0.00 3.23 3.24 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 0.00 145 A 7.74 3.81 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 0.00 146 E 8.00 4.69 0.00 1.97 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 0.00 2.17 2.13 0.00 147 S 8.28 3.59 0.00 4.00 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 0.00 148 G 8.51 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 0.00 0.00 0.00 0.00 149 Q 8.30 4.40 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 150 V 7.87 4.75 2.24 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 1.10 0.00 0.00 1.00 0.00 0.00 151 Y 8.18 5.70 0.00 3.06 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 0.00 152 F 8.80 4.82 0.00 1.51 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 0.00 153 G 7.55 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 0.00 154 I 7.99 5.70 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.97 0.53 0.00 0.00 155 I 8.33 5.07 1.99 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 1.32 1.15 1.05 0.00 0.00 156 A 8.91 3.63 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 *157 L 8.60 4.00 0.00 1.45 1.46 0.95 0.99 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 * Residues marked with a * may have inaccurate shift predictions.