NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4892 0.0000 0.0000 61.9973 34.0202 174.7802 3 S 4.8666 8.0920 114.1829 56.6563 64.5774 171.3210 4 I 4.5626 9.6206 128.8976 59.2526 41.8840 173.5417 5 K 5.0729 8.3594 123.9425 54.7228 34.5014 175.3512 6 L 5.1501 9.2698 125.8248 53.1976 44.4819 175.4273 7 Q 5.2400 9.0314 124.0161 54.2807 31.9806 175.1196 8 S 4.8841 9.2540 121.7814 57.7063 64.6548 175.4023 9 S 4.0949 9.0646 116.2115 61.4228 62.6229 175.5971 10 D 4.6613 8.0639 117.6865 53.1582 39.4557 176.2436 11 G 4.0991 8.3790 109.7082 45.8853 0.0000 174.6702 12 E 4.0758 7.8189 117.7274 56.5543 30.0559 175.6004 13 I 5.1208 7.8820 122.1195 59.6818 39.9679 175.0109 14 F 4.8434 9.7753 124.0541 55.7053 43.1062 173.7817 15 E 5.1620 8.9821 121.6517 55.0230 30.9091 175.7009 16 V 4.6363 8.2919 117.3549 58.9313 35.9258 175.2675 17 D 4.8648 8.5807 121.7186 54.2410 42.0897 177.7798 18 V 3.6697 9.0732 119.3502 64.5648 31.2086 179.0414 19 E 3.9841 8.7313 118.1637 59.2407 29.6644 179.0076 20 I 3.8225 7.8524 119.0894 64.5097 37.2008 178.0552 21 A 4.0854 8.1425 121.4769 55.1448 17.8851 178.9551 22 K 4.3834 7.5712 113.5845 57.2584 32.1690 178.5614 23 Q 4.4481 8.1266 118.7603 56.3939 29.1623 175.9374 24 S 4.4436 7.6483 115.9762 56.4275 62.1187 174.2853 25 V 3.6227 8.0498 127.7993 66.6843 31.1896 177.3175 26 T 3.7552 7.4435 114.8551 67.0965 68.2289 176.1488 27 I 3.6393 7.5510 120.5528 64.3565 37.1392 178.0979 28 K 3.7933 8.7052 120.9121 60.1791 32.0385 178.7020 29 T 4.0162 8.4620 114.3737 64.6070 67.1549 176.0597 30 M 4.1155 8.0652 121.0632 58.0008 31.7532 178.5729 31 L 4.0773 7.9095 118.4762 57.9620 41.9557 179.2036 32 E 4.1502 8.2890 117.4602 58.8333 29.4965 178.2024 33 D 5.0524 7.8545 116.2277 52.5049 40.0398 176.0920 34 L 4.2756 7.4970 119.4349 53.4203 44.1249 176.5797 35 G 3.9497 8.4768 118.6259 45.6617 0.0000 172.2298 36 M 4.2553 7.5887 117.2377 55.0140 33.1924 176.2038 37 D 4.4234 8.5544 124.4284 56.1232 42.2391 173.6902 *44 P 5.1740 0.0000 0.0000 62.5221 32.9386 175.9003 45 V 4.2752 8.8813 124.9677 60.4611 32.9822 172.4202 46 P 4.9212 0.0000 0.0000 62.3923 32.2491 176.6940 47 L 4.8905 9.2448 125.5291 51.8840 41.9802 175.3722 48 P 4.2974 0.0000 0.0000 64.6135 31.3877 177.2699 49 N 4.6117 7.4848 115.0257 53.8528 40.7378 175.2572 50 V 3.7904 7.6211 118.8980 62.2245 32.3021 175.4227 51 N 5.4781 8.7299 126.4688 50.9289 40.4024 175.7742 52 A 4.0690 9.5400 121.9768 55.2385 18.3718 179.6661 53 A 3.9991 8.0165 118.7694 55.5656 18.4530 179.8483 54 I 3.7351 8.0099 118.2639 64.2768 37.0860 178.3837 55 L 3.8368 8.0386 121.3359 57.8012 41.7126 179.0986 56 K 3.8052 7.6515 117.9856 59.4118 31.9828 179.1497 57 K 4.1980 7.6267 117.7184 59.6654 32.0020 179.1442 58 V 3.7608 8.1143 118.5834 66.4730 31.3517 177.9766 59 I 3.7651 8.3766 119.7420 64.5800 36.9599 178.4574 60 Q 4.1769 8.5085 118.5265 58.9425 28.1644 178.3665 61 W 3.8274 8.4322 129.8251 60.4791 31.1399 177.4774 62 C 4.6145 8.8053 117.0780 63.0611 27.5595 176.1120 63 T 3.7629 8.3364 117.7807 67.0565 67.9228 176.1301 64 H 3.6937 8.0696 118.3835 58.1087 29.2245 175.3466 65 H 4.6116 7.3264 116.3340 54.1773 29.0762 176.0992 66 K 3.9486 7.7706 122.0426 59.5831 32.3264 177.3531 67 D 4.8348 7.7890 117.4036 53.7579 41.3838 176.3430 68 D 4.8828 7.4759 121.7424 53.6726 40.4005 173.8746 *80 K 4.6565 8.3931 120.8306 54.7827 32.6901 173.3683 *81 R 4.4780 8.8754 119.0814 60.9371 36.1767 173.9940 *82 T 3.6557 7.8115 107.5263 60.7371 67.9256 174.1603 83 D 4.6776 7.9474 118.0361 56.6055 41.5156 175.6681 84 D 4.8901 7.8141 117.3498 53.4181 40.0011 175.3456 85 I 4.1711 7.9602 121.4184 60.5787 37.4201 174.7858 86 P 4.2936 0.0000 0.0000 63.1393 32.3932 177.1931 87 V 3.5623 8.6803 122.0107 66.0902 31.4254 177.8736 88 W 3.9805 8.2650 127.2372 60.7699 30.7465 177.3819 89 D 4.8189 8.6644 118.3036 57.6783 40.0234 179.0128 90 Q 4.0134 8.1826 117.8733 59.2319 29.1333 178.4478 91 E 4.0262 8.2805 119.4686 59.0780 29.1501 179.1739 92 F 3.8934 8.0454 120.7140 60.8456 39.4654 176.2616 93 L 4.2552 7.5768 115.3683 54.1064 42.8786 178.5136 94 K 4.2882 7.3163 120.4763 55.7469 29.6779 175.8371 95 V 4.4554 7.0859 114.7064 58.3426 36.5067 175.1919 96 D 4.5884 8.2672 120.3346 52.9143 41.3437 176.9645 97 Q 4.0322 8.6980 120.2521 59.6692 28.7425 179.6501 98 G 4.2469 8.2118 105.3583 48.8585 0.0000 175.3560 99 T 3.9063 7.8974 116.9583 65.7064 68.5476 176.5179 100 L 3.8996 8.2973 122.6165 58.1299 42.2642 178.5825 101 F 4.1752 9.1543 121.7226 61.7423 39.2080 177.0733 102 E 3.9383 8.4535 117.7561 59.0096 29.1542 179.5024 103 L 3.9253 7.9075 119.3493 57.7406 41.7565 179.2469 104 I 3.5905 7.6270 119.6893 64.4009 37.0332 178.4381 105 L 3.7842 7.4943 119.0112 57.7412 41.3999 179.4639 106 A 4.0195 8.1802 120.6682 55.1975 18.3042 179.5848 107 A 3.8276 8.5578 119.5712 54.9402 18.1126 179.5406 108 N 4.1524 7.7392 115.0661 56.9585 39.1960 176.2513 109 Y 4.2970 7.8319 119.4911 60.8656 39.1431 177.8484 110 L 3.6226 8.1431 119.3511 54.9160 42.3703 176.0399 111 D 4.4323 7.8228 117.7679 55.4578 39.6361 174.6222 112 I 4.5515 6.7867 121.4009 59.0447 36.9347 176.8027 113 K 3.9699 8.1564 124.9369 59.4004 32.2860 177.1419 114 G 4.0941 8.2252 105.1395 48.1445 0.0000 174.9503 115 L 2.8262 6.7314 122.4711 57.0557 41.9399 178.5510 116 L 3.8767 7.6762 121.6920 57.4631 41.9891 178.2080 117 D 4.2772 8.6092 118.8130 57.6820 41.2101 178.7776 118 V 3.7703 8.1657 113.1214 64.5722 31.6066 178.8100 119 T 3.9464 8.1375 109.7565 64.8742 68.4592 176.5024 120 C 4.2271 8.1249 119.5264 62.6871 28.1579 176.2608 121 K 4.0020 7.9472 119.4754 59.7221 31.3274 179.5843 122 T 3.9434 7.7807 115.5494 66.5247 68.6452 176.6063 123 V 3.8853 7.8739 119.6115 65.6937 31.5313 177.6052 124 A 4.0073 8.2183 121.0395 55.7351 17.2817 179.4737 125 N 4.3208 8.6044 114.8128 56.7347 38.3288 177.5655 126 M 4.3450 8.0337 119.2625 57.8096 32.2661 178.5503 127 I 4.0734 7.2295 117.1543 62.9867 37.7052 176.4234 128 K 3.9909 7.4711 117.6985 58.4443 32.4581 175.5938 129 G 4.2033 9.0534 111.1412 45.6060 0.0000 174.0336 130 K 4.4678 7.6056 117.9490 55.9555 33.0665 176.6742 131 T 4.5037 8.4937 111.4579 59.8247 71.8386 174.0246 132 P 4.2554 0.0000 0.0000 65.6512 31.2169 178.3813 133 E 3.9253 8.1931 117.4512 59.4788 29.5397 178.3211 134 E 3.9700 8.1390 118.4137 59.6381 29.5149 179.4195 135 I 3.8788 8.1585 119.8237 64.7955 37.1963 178.4727 136 R 4.0017 8.6757 118.9344 59.3984 29.7009 179.3946 137 K 3.9786 8.2757 118.3283 59.8046 31.9727 179.6877 138 T 3.7811 8.2004 108.8858 63.8919 68.6532 175.4616 139 F 4.5660 8.2035 117.8724 55.6135 40.1813 174.9420 140 N 4.1293 7.6749 116.2865 54.5610 37.6363 174.0671 141 I 4.3716 7.8201 117.5253 59.4011 39.0821 176.4838 142 K 4.0975 8.3903 126.4076 56.1900 32.8263 176.7845 143 N 4.6784 8.4980 124.3510 52.0054 37.4379 174.5199 144 D 4.1841 8.2737 123.9531 57.0051 41.1306 177.9514 145 F 4.7792 7.8012 115.4550 57.3868 38.8795 175.8931 146 T 4.1441 8.1655 124.2630 64.3443 69.7664 173.3309 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 2 P 0.00 4.49 0.00 1.78 2.11 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 3 S 8.09 4.87 0.00 3.92 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 4 I 9.62 4.56 1.89 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 1.24 1.58 0.94 0.00 0.00 5 K 8.36 5.07 0.00 1.87 1.72 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.40 7.81 6 L 9.27 5.15 0.00 1.66 1.64 0.94 0.61 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 7 Q 9.03 5.24 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 8 S 9.25 4.88 0.00 4.12 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 9 S 9.06 4.09 0.00 4.01 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 10 D 8.06 4.66 0.00 2.84 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 11 G 8.38 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.82 4.08 0.00 2.32 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 2.30 2.33 0.00 13 I 7.88 5.12 1.82 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 1.39 0.59 0.99 0.00 0.00 14 F 9.78 4.84 0.00 2.93 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 15 E 8.98 5.16 0.00 1.86 1.91 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 2.25 2.33 0.00 16 V 8.29 4.64 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 0.81 0.00 0.00 0.97 0.00 0.00 17 D 8.58 4.86 0.00 2.68 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 18 V 9.07 3.67 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 0.90 0.00 0.00 0.93 0.00 0.00 19 E 8.73 3.98 0.00 2.07 1.99 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 2.34 2.48 0.00 20 I 7.85 3.82 1.89 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 1.55 0.85 0.95 0.00 0.00 21 A 8.14 4.09 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 22 K 7.57 4.38 0.00 1.94 1.85 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.71 7.81 23 Q 8.13 4.45 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 24 S 7.65 4.44 0.00 3.77 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 25 V 8.05 3.62 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 0.94 0.00 0.00 1.05 0.00 0.00 26 T 7.44 3.76 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 0.84 0.00 0.00 27 I 7.55 3.64 2.08 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 1.38 0.57 0.91 0.00 0.00 28 K 8.71 3.79 0.00 1.90 2.02 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.59 7.81 29 T 8.46 4.02 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 1.29 0.00 0.00 30 M 8.07 4.12 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 31 L 7.91 4.08 0.00 1.77 1.73 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.29 4.15 0.00 2.03 2.00 0.00 0.00 0.00 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 2.31 0.00 33 D 7.85 5.05 0.00 2.86 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 34 L 7.50 4.28 0.00 1.82 1.62 0.93 0.84 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 35 G 8.48 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 36 M 7.59 4.26 0.00 2.04 2.04 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 2.77 2.60 0.00 37 D 8.55 4.42 0.00 2.81 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 *44 P 0.00 5.17 0.00 2.03 2.04 0.00 3.75 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 45 V 8.88 4.28 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 1.06 0.00 0.00 1.03 0.00 0.00 46 P 0.00 4.92 0.00 2.02 2.01 0.00 3.73 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 2.15 0.00 47 L 9.24 4.89 0.00 1.61 1.80 0.96 0.90 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 48 P 0.00 4.30 0.00 2.05 2.18 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.04 0.00 49 N 7.48 4.61 0.00 2.13 2.61 0.00 0.00 6.92 8.40 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 50 V 7.62 3.79 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 1.10 0.00 0.00 1.08 0.00 0.00 51 N 8.73 5.48 0.00 3.11 2.96 0.00 0.00 6.62 7.00 0.00 0.00 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 A 9.54 4.07 1.61 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 0.00 0.00 53 A 8.02 4.00 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 54 I 8.01 3.74 2.03 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 1.62 0.91 0.91 0.00 0.00 55 L 8.04 3.84 0.00 1.69 1.02 0.78 0.40 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 56 K 7.65 3.81 0.00 2.06 1.92 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.66 1.74 7.81 57 K 7.63 4.20 0.00 2.17 2.10 0.00 1.78 0.00 0.00 1.52 0.00 0.00 2.54 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.64 1.55 7.81 58 V 8.11 3.76 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 1.15 0.00 0.00 0.95 0.00 0.00 59 I 8.38 3.77 2.01 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 1.56 0.52 0.96 0.00 0.00 60 Q 8.51 4.18 0.00 2.50 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.87 2.73 0.00 61 W 8.43 3.83 0.00 2.88 3.40 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 62 C 8.81 4.61 0.00 3.23 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 63 T 8.34 3.76 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 1.15 0.00 0.00 64 H 8.07 3.69 0.00 2.06 2.25 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.33 4.61 0.00 2.62 3.07 0.00 5.88 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.77 3.95 0.00 1.82 1.86 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.30 7.81 67 D 7.79 4.83 0.00 2.53 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 68 D 7.48 4.88 0.00 2.88 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 *80 K 8.39 4.66 0.00 1.82 1.52 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *81 R 8.88 4.48 0.00 1.76 1.77 0.00 3.21 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 *82 T 7.81 3.66 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 83 D 7.95 4.68 0.00 2.63 2.74 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 84 D 7.81 4.89 0.00 2.80 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 I 7.96 4.17 2.12 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 1.50 0.65 1.03 0.00 0.00 86 P 0.00 4.29 0.00 2.51 2.10 0.00 3.91 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 87 V 8.68 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 1.08 0.00 0.00 0.98 0.00 0.00 88 W 8.27 3.98 0.00 3.41 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 89 D 8.66 4.82 0.00 3.15 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 90 Q 8.18 4.01 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 91 E 8.28 4.03 0.00 1.94 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 2.28 2.28 0.00 92 F 8.05 3.89 0.00 1.87 3.10 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 0.00 0.00 0.00 93 L 7.58 4.26 0.00 1.72 1.67 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.32 4.29 0.00 1.89 1.70 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.51 7.81 95 V 7.09 4.46 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 0.57 0.00 0.00 0.84 0.00 0.00 96 D 8.27 4.59 0.00 2.86 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 97 Q 8.70 4.03 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 98 G 8.21 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 0.00 0.00 0.00 0.00 99 T 7.90 3.91 4.38 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 1.12 0.00 0.00 100 L 8.30 3.90 0.00 1.71 1.85 0.92 0.88 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 0.00 101 F 9.15 4.18 0.00 3.04 3.32 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 0.00 0.00 0.00 0.00 102 E 8.45 3.94 0.00 2.19 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 2.66 2.55 0.00 103 L 7.91 3.93 0.00 1.81 1.66 0.72 0.66 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 0.00 104 I 7.63 3.59 1.76 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 1.47 0.65 0.79 0.00 0.00 105 L 7.49 3.78 0.00 1.63 1.55 0.35 0.36 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 0.00 106 A 8.18 4.02 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 0.00 107 A 8.56 3.83 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 0.00 108 N 7.74 4.15 0.00 2.78 2.99 0.00 0.00 7.16 7.58 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 0.00 109 Y 7.83 4.30 0.00 2.92 2.97 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 0.00 110 L 8.14 3.62 0.00 1.71 1.58 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.82 4.43 0.00 2.75 2.56 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 0.00 112 I 6.79 4.55 1.66 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 1.40 0.45 0.81 0.00 0.00 113 K 8.16 3.97 0.00 1.80 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.55 7.81 114 G 8.23 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 0.00 115 L 6.73 2.83 0.00 0.27 0.99 0.22 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.68 3.88 0.00 1.76 1.78 0.85 0.80 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 0.00 117 D 8.61 4.28 0.00 3.01 2.86 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 0.00 0.00 0.00 118 V 8.17 3.77 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 0.97 0.00 0.00 1.17 0.00 0.00 119 T 8.14 3.95 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 1.23 0.00 0.00 120 C 8.12 4.23 0.00 3.24 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 0.00 121 K 7.95 4.00 0.00 1.86 1.90 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.74 7.81 122 T 7.78 3.94 4.48 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 1.25 0.00 0.00 123 V 7.87 3.89 2.23 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 1.02 0.00 0.00 1.10 0.00 0.00 124 A 8.22 4.01 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 0.00 125 N 8.60 4.32 0.00 2.94 2.92 0.00 0.00 7.13 7.23 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 0.00 126 M 8.03 4.34 0.00 2.17 2.66 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.62 0.00 127 I 7.23 4.07 2.07 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.91 0.00 0.00 128 K 7.47 3.99 0.00 1.77 1.81 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 129 G 9.05 4.20 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 0.00 0.00 0.00 130 K 7.61 4.47 0.00 1.95 1.82 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.43 7.81 131 T 8.49 4.50 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 1.28 0.00 0.00 132 P 0.00 4.26 0.00 2.20 2.18 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 133 E 8.19 3.93 0.00 2.09 1.97 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 2.39 2.49 0.00 134 E 8.14 3.97 0.00 2.34 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 2.35 2.39 0.00 135 I 8.16 3.88 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.91 0.97 0.00 0.00 136 R 8.68 4.00 0.00 2.01 2.17 0.00 3.30 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 137 K 8.28 3.98 0.00 1.97 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.74 7.81 138 T 8.20 3.78 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 1.21 0.00 0.00 139 F 8.20 4.57 0.00 3.11 3.10 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 0.00 0.00 0.00 140 N 7.67 4.13 0.00 2.72 2.79 0.00 0.00 7.03 7.81 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 0.00 141 I 7.82 4.37 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.92 0.00 0.00 142 K 8.39 4.10 0.00 1.70 1.67 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.41 7.81 143 N 8.50 4.68 0.00 2.82 2.75 0.00 0.00 7.12 8.49 0.00 0.00 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 D 8.27 4.18 0.00 2.11 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 0.00 0.00 0.00 145 F 7.80 4.78 0.00 3.15 3.03 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 0.00 146 T 8.17 4.14 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.