NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5420 8.3349 116.7526 58.8733 64.7155 172.6189 2 T 4.4002 8.0861 117.6173 61.3051 70.3462 173.1193 3 S 4.5546 8.2759 121.1532 57.9057 64.3751 172.3617 4 P 4.5223 0.0000 0.0000 62.0701 32.3925 175.4704 5 E 4.3420 8.4791 121.6351 56.2266 31.1152 175.6142 6 I 4.2573 9.0170 127.9504 61.0970 36.8468 175.8504 7 A 4.3484 9.0734 131.4180 54.4694 19.0192 177.9512 8 S 4.6382 7.7561 107.9841 56.8902 66.0030 173.7125 9 L 5.0697 8.4736 124.7397 53.5573 44.8990 175.3193 10 S 4.5439 8.8259 118.8364 56.7096 66.0688 172.5923 11 W 4.2062 8.8572 130.4945 58.8855 30.3082 175.5782 12 G 3.8373 9.0906 114.1288 45.7311 0.0000 171.8470 13 Q 4.9985 7.4797 119.0194 54.4496 33.4228 173.4169 *15 K 4.2978 8.4546 121.0508 56.2968 33.9913 174.8891 16 V 4.5833 8.1014 123.9911 60.5447 34.1196 174.8471 17 K 4.0772 8.8546 129.6772 57.7837 32.3172 176.9303 18 G 3.8686 8.8772 113.6156 45.9735 0.0000 172.5596 19 S 4.7048 7.6112 113.4080 56.2883 63.8286 173.9253 20 N 4.4835 8.6309 124.2316 54.9442 39.2372 174.8392 21 T 4.4270 7.2736 107.7522 59.6695 70.9152 173.9606 22 T 3.7520 8.1203 121.4003 63.6337 68.9482 174.1673 23 Y 4.6214 7.9452 123.9773 56.7944 39.3493 175.2897 24 K 4.4578 8.1179 120.5207 56.7093 33.2404 175.8580 25 D 5.4170 7.5060 117.0853 53.0991 44.6551 174.1467 26 C 5.1493 8.8634 113.3314 57.5098 33.4979 172.6822 27 K 5.1948 8.9928 119.8036 54.6782 34.7575 175.8698 28 V 4.6194 8.9004 123.1099 59.9628 35.1478 174.1725 29 W 5.4663 8.5340 118.9778 54.6831 32.2045 171.8446 30 P 4.5149 0.0000 0.0000 65.2084 30.7804 176.7512 31 G 4.0708 10.2583 113.6211 45.2869 0.0000 172.6868 32 G 3.6177 7.4895 106.2849 46.1194 0.0000 171.8796 33 S 3.9227 7.5750 112.0898 57.4987 65.7154 173.7434 34 R 4.6976 8.4098 119.9531 54.9257 33.8470 174.1998 35 T 4.3124 8.6119 120.5862 63.6035 69.2177 173.2862 36 W 5.0892 8.8051 135.0000 56.1375 31.8815 175.3760 37 D 4.5431 9.2302 125.5055 55.0155 42.4187 176.5771 *48 G 3.8874 7.5979 104.2011 45.6705 0.0000 172.1305 49 V 4.0028 7.9662 122.7130 64.2077 31.9727 177.2738 50 Q 4.6187 10.2724 128.4787 53.8628 30.9811 175.0698 51 P 3.7894 0.0000 0.0000 66.4157 30.2612 178.1385 52 A 3.8598 7.9351 120.1819 55.1709 17.8285 179.2291 53 D 4.3269 8.0333 116.2014 56.7696 41.2117 178.3660 54 V 3.9878 7.5149 110.6193 61.1011 32.0658 177.7762 55 K 4.0114 7.5240 120.2824 59.5320 31.8127 178.2037 56 E 3.8999 7.8534 118.1471 58.6422 29.8505 178.5630 57 V 3.5387 7.4425 118.2040 65.8732 31.7482 177.7756 58 V 3.5181 7.6133 118.0060 66.2118 31.0911 177.6354 59 E 4.0297 8.0147 116.3199 58.2443 29.3040 178.4512 60 K 4.3553 7.6532 117.6094 55.3118 32.6622 174.6307 61 G 3.7679 8.3193 110.2330 45.6939 0.0000 173.0691 62 V 4.6339 7.6999 117.1958 59.2608 35.9169 175.5432 63 Q 4.3837 9.4140 123.3494 57.7923 30.5953 175.5869 64 T 5.2326 7.7759 114.2977 61.5048 73.2947 172.6735 65 L 5.0841 9.4209 127.4866 53.3132 45.2123 175.0482 66 V 4.5269 8.7778 127.0561 61.8203 33.3459 174.4261 67 I 4.2336 9.2195 130.4377 59.6334 39.2424 175.2054 68 G 4.2395 8.6801 117.1038 44.5439 0.0000 173.2023 69 R 4.8847 8.4406 125.7890 55.1764 30.9113 176.2274 70 G 4.1171 8.5095 109.0706 46.0078 0.0000 176.4311 *72 S 4.4859 8.8541 119.2180 56.9144 64.0846 173.4500 73 E 4.5659 8.6077 116.3039 56.6764 26.8639 176.0324 74 A 4.0899 7.4250 121.7976 54.5084 18.8187 178.5444 75 L 4.2458 7.7288 118.5608 54.6239 42.7783 177.1126 76 K 4.2658 8.6763 125.7084 56.5284 33.7803 176.5496 77 V 4.3440 8.1452 122.2921 60.3078 33.1900 173.1987 78 P 4.5046 0.0000 0.0000 61.9943 32.3628 177.8967 79 S 4.1383 8.7628 115.7724 61.7427 62.7142 176.6187 80 S 4.1678 8.1842 117.2838 61.7465 62.3851 176.6878 81 T 3.8207 7.7002 119.0858 66.4302 68.2893 176.7598 82 V 3.6271 7.7854 119.5476 66.1895 31.5206 177.7112 83 E 4.0127 8.8887 118.6217 59.3311 29.0150 178.6496 84 Y 4.0939 7.8757 118.8132 60.8541 39.2230 177.6856 85 L 3.9282 8.0409 119.7899 57.8610 41.7321 179.9250 86 K 3.8871 8.0687 118.1124 59.3675 31.8282 179.1047 87 K 3.8458 7.7171 118.7447 59.6241 31.9531 177.0865 88 H 4.7269 7.5580 113.6760 55.0112 29.0734 175.2753 89 G 3.8303 8.2572 108.0442 46.5319 0.0000 173.6975 90 I 4.5343 7.5393 119.5751 59.1338 39.0386 175.0428 91 D 4.4887 8.8847 127.4343 54.1369 42.1661 174.7998 92 V 4.7765 8.4225 125.9442 61.2039 33.6887 174.6314 93 R 4.6183 9.0536 127.1331 54.4036 32.7371 174.8364 94 V 4.7794 8.4402 124.3147 61.2937 33.1128 174.5547 95 L 4.8025 8.9395 126.9985 52.8520 46.8178 175.2725 96 Q 4.4182 8.8944 121.7957 57.3099 29.6020 178.0608 97 T 4.0883 8.9679 122.0488 66.8603 68.6148 177.0895 98 E 4.0318 8.3552 120.1698 59.3451 29.5424 179.0056 99 Q 4.1627 8.2957 117.7672 58.1586 28.7815 178.3259 100 A 4.1283 8.3898 122.6441 55.3276 18.5478 179.8742 101 V 3.4918 8.1679 116.9311 65.9281 31.5649 178.4468 102 K 4.0189 8.0647 117.9643 59.3076 31.9283 178.8837 103 E 3.9446 8.4096 119.5816 59.6005 29.5442 177.7051 104 Y 4.1626 8.4919 119.7685 61.3695 38.7579 177.8967 105 N 4.1543 8.6275 116.6759 56.4277 38.6628 177.3559 106 A 3.9470 8.1268 121.9621 55.0704 18.5006 179.5789 107 L 3.8640 7.7752 117.5354 57.8323 41.6064 179.8008 108 V 3.3463 7.7597 118.1821 66.1166 31.2367 178.0747 109 A 4.0261 7.9771 118.8559 54.0994 18.1188 178.3086 110 Q 4.5322 7.7395 115.2058 55.5539 29.5493 175.7652 111 G 3.9207 7.9548 106.8491 47.1316 0.0000 174.7065 112 V 3.7397 7.4633 118.7363 62.3872 32.5322 177.0598 113 R 4.4105 8.6843 125.9632 55.8723 29.0477 174.7735 114 V 4.8462 8.3628 122.2536 59.7622 34.0369 175.3799 115 G 4.5059 8.8350 109.8474 45.0392 0.0000 171.0038 116 G 4.2445 8.3689 105.5350 46.1536 0.0000 173.0315 117 V 4.7739 7.0696 112.4583 59.3568 35.9045 174.9908 118 F 5.2642 9.3014 122.8633 55.9811 42.9167 173.0866 119 H 5.3120 9.6572 124.1866 54.3561 31.6587 174.6556 120 S 4.6194 9.2153 120.1631 57.9317 63.5244 173.6448 121 T 2.7429 6.2811 111.2599 60.1936 70.6289 173.5307 122 C 4.3815 8.3289 118.2630 60.7482 28.2073 173.3316 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 S 8.33 4.54 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 4.40 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 3 S 8.28 4.55 0.00 3.78 3.82 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 4 P 0.00 4.52 0.00 2.17 2.01 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 5 E 8.48 4.34 0.00 2.07 1.85 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 2.38 2.36 0.00 6 I 9.02 4.26 1.76 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.77 0.00 0.00 7 A 9.07 4.35 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 8 S 7.76 4.64 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.47 5.07 0.00 1.55 1.51 0.90 0.89 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 10 S 8.83 4.54 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.86 4.21 0.00 3.44 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.09 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 13 Q 7.48 5.00 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 *15 K 8.45 4.30 0.00 1.75 1.72 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.41 7.81 16 V 8.10 4.58 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 0.94 0.00 0.00 1.09 0.00 0.00 17 K 8.85 4.08 0.00 1.92 1.71 0.00 2.04 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.38 7.81 18 G 8.88 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 19 S 7.61 4.70 0.00 3.91 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 0.00 20 N 8.63 4.48 0.00 2.68 2.78 0.00 0.00 6.86 7.70 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 21 T 7.27 4.43 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 22 T 8.12 3.75 4.14 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 1.16 0.00 0.00 23 Y 7.95 4.62 0.00 3.04 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 24 K 8.12 4.46 0.00 1.71 1.75 0.00 1.52 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.43 7.81 25 D 7.51 5.42 0.00 2.79 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 26 C 8.86 5.15 0.00 2.38 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 27 K 8.99 5.19 0.00 1.89 1.88 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.91 1.29 7.81 28 V 8.90 4.62 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 0.64 0.00 0.00 0.90 0.00 0.00 29 W 8.53 5.47 0.00 3.39 3.37 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 30 P 0.00 4.51 0.00 2.20 2.16 0.00 3.92 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 2.30 2.20 0.00 31 G 10.26 4.07 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 32 G 7.49 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 0.00 0.00 0.00 33 S 7.57 3.92 0.00 3.56 3.45 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 34 R 8.41 4.70 0.00 2.18 1.88 0.00 3.49 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 35 T 8.61 4.31 4.37 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 1.32 0.00 0.00 36 W 8.81 5.09 0.00 3.12 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 37 D 9.23 4.54 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 *48 G 7.60 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 49 V 7.97 4.00 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 0.75 0.00 0.00 1.18 0.00 0.00 50 Q 10.27 4.62 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.47 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 51 P 0.00 3.79 0.00 1.50 1.09 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 52 A 7.94 3.86 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 53 D 8.03 4.33 0.00 2.74 2.50 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 54 V 7.51 3.99 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 0.55 0.00 0.00 1.05 0.00 0.00 55 K 7.52 4.01 0.00 1.92 1.73 0.00 1.58 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.53 7.81 56 E 7.85 3.90 0.00 1.83 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 1.67 2.08 0.00 57 V 7.44 3.54 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 1.06 0.00 0.00 0.96 0.00 0.00 58 V 7.61 3.52 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 0.72 0.00 0.00 0.92 0.00 0.00 59 E 8.01 4.03 0.00 1.93 1.84 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 2.26 2.36 0.00 60 K 7.65 4.36 0.00 1.72 1.76 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.21 7.81 61 G 8.32 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 62 V 7.70 4.63 2.37 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 0.85 0.00 0.00 0.97 0.00 0.00 63 Q 9.41 4.38 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 64 T 7.78 5.23 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 1.30 0.00 0.00 65 L 9.42 5.08 0.00 1.63 1.45 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.78 4.53 2.27 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 1.04 0.00 0.00 1.09 0.00 0.00 67 I 9.22 4.23 1.79 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 0.99 0.37 0.86 0.00 0.00 68 G 8.68 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.44 4.88 0.00 2.10 2.17 0.00 2.85 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 1.69 1.61 0.00 70 G 8.51 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 0.00 0.00 0.00 *72 S 8.85 4.49 0.00 4.11 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.61 4.57 0.00 2.12 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 0.00 2.27 2.29 0.00 74 A 7.42 4.09 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 75 L 7.73 4.25 0.00 1.70 1.68 0.60 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.68 4.27 0.00 1.76 1.71 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.44 7.81 77 V 8.15 4.34 2.09 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 0.84 0.00 0.00 1.00 0.00 0.00 78 P 0.00 4.50 0.00 2.26 2.16 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 79 S 8.76 4.14 0.00 4.08 4.18 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 80 S 8.18 4.17 0.00 4.07 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 81 T 7.70 3.82 4.42 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 1.22 0.00 0.00 82 V 7.79 3.63 2.21 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 1.08 0.00 0.00 0.94 0.00 0.00 83 E 8.89 4.01 0.00 2.17 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 2.45 2.48 0.00 84 Y 7.88 4.09 0.00 3.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.04 3.93 0.00 1.90 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.07 3.89 0.00 1.93 1.82 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 87 K 7.72 3.85 0.00 1.89 1.88 0.00 1.78 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.46 7.81 88 H 7.56 4.73 0.00 3.02 3.13 0.00 5.99 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.26 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.54 4.53 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.89 0.00 0.00 91 D 8.88 4.49 0.00 2.82 2.66 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 92 V 8.42 4.78 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 0.90 0.00 0.00 0.99 0.00 0.00 93 R 9.05 4.62 0.00 1.74 1.83 0.00 3.54 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 94 V 8.44 4.78 2.09 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 0.82 0.00 0.00 0.93 0.00 0.00 95 L 8.94 4.80 0.00 1.64 1.53 1.05 0.82 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 96 Q 8.89 4.42 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.75 2.42 0.00 97 T 8.97 4.09 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 98 E 8.36 4.03 0.00 2.23 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 2.44 2.45 0.00 99 Q 8.30 4.16 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 100 A 8.39 4.13 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 0.00 0.00 0.00 0.00 0.00 101 V 8.17 3.49 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 0.95 0.00 0.00 0.59 0.00 0.00 102 K 8.06 4.02 0.00 1.93 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 103 E 8.41 3.94 0.00 2.24 2.25 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 2.39 2.38 0.00 104 Y 8.49 4.16 0.00 3.43 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 0.00 105 N 8.63 4.15 0.00 2.92 2.88 0.00 0.00 7.04 6.42 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 0.00 106 A 8.13 3.95 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 0.00 107 L 7.78 3.86 0.00 1.76 1.65 0.95 0.83 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 0.00 108 V 7.76 3.35 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 1.06 0.00 0.00 0.38 0.00 0.00 109 A 7.98 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 0.00 110 Q 7.74 4.53 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 111 G 7.95 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 0.00 0.00 0.00 112 V 7.46 3.74 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.91 0.00 0.00 113 R 8.68 4.41 0.00 1.83 1.91 0.00 3.15 0.00 0.00 3.40 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 114 V 8.36 4.85 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 0.27 0.00 0.00 1.11 0.00 0.00 115 G 8.83 4.51 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 0.00 0.00 0.00 116 G 8.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.07 4.77 0.67 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 0.18 0.00 0.00 0.32 0.00 0.00 118 F 9.30 5.26 0.00 3.02 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 0.00 119 H 9.66 5.31 0.00 3.24 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 9.22 4.62 0.00 3.85 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.28 2.74 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 122 C 8.33 4.38 0.00 3.21 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 * Residues marked with a * may have inaccurate shift predictions.