NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3173 8.3149 120.1281 56.6477 33.3518 174.9342 3 N 4.7147 8.7474 118.4488 51.2976 38.5586 172.9104 4 Y 4.8644 8.0051 116.1847 56.3926 41.5045 173.3015 5 Q 4.2182 8.3247 118.1896 54.1561 32.6983 174.1637 6 K 4.6128 8.0983 120.9588 54.6668 35.8882 175.1603 *8 S 4.2447 8.2578 115.6743 58.1854 63.7473 173.7243 9 V 4.2993 8.0523 122.5575 60.4539 33.9877 175.3219 10 A 4.1543 8.4016 129.4449 51.9957 19.0281 177.6416 11 Q 4.0002 8.7644 121.2811 58.8464 29.0255 177.7729 12 D 4.8300 7.8505 115.8174 53.7079 41.8629 175.4174 13 A 4.5243 7.5911 120.9777 50.9050 20.4629 177.7516 14 R 4.9302 8.2190 120.1145 54.1093 31.6653 175.9270 15 V 4.5630 8.0765 115.8961 60.2030 36.7663 173.1769 16 E 5.0616 8.6248 120.7475 54.9543 31.5737 176.5602 17 L 4.3145 9.0893 122.9721 56.0161 42.7630 178.1588 18 H 3.9905 8.6515 119.3208 59.7124 29.8810 176.8821 19 D 4.3867 8.1743 118.2156 57.4149 41.0584 179.1023 20 S 4.1179 8.1404 113.8936 60.7792 62.9073 174.8522 21 L 4.4767 8.0446 117.1054 53.4173 42.5044 175.7862 22 A 3.6803 7.3655 120.5320 53.0187 16.3540 177.8783 23 L 4.2126 7.8345 120.4757 55.5284 42.5262 178.1223 24 T 4.5824 8.4232 108.9950 61.0381 70.1087 174.5368 25 G 3.9461 7.7077 108.6273 45.0742 0.0000 171.8051 26 A 4.5948 7.1834 119.4881 51.5372 22.3654 174.9225 27 E 4.7399 8.7663 119.2095 54.5298 33.2385 174.6564 28 V 4.9588 8.4237 125.4301 61.0780 34.8876 173.8414 29 S 5.1756 8.8837 122.6174 56.5556 65.9485 172.8682 30 I 4.7054 8.5148 124.6915 59.6305 39.2287 174.3458 31 N 5.2687 8.1968 124.7426 52.7657 43.1946 172.1737 32 H 5.0659 8.2332 113.4959 54.7374 31.0843 173.0742 33 L 4.9640 8.7667 120.9737 52.2058 44.9228 174.6062 34 P 4.8048 0.0000 0.0000 61.8570 33.1415 175.3948 35 A 4.4373 7.9741 122.4496 53.3645 18.4417 178.4218 36 G 3.8571 9.1073 109.9398 45.5048 0.0000 172.9166 37 A 4.7553 7.4488 121.5936 50.3785 22.3004 175.6639 38 G 4.2010 8.0835 104.1962 45.2565 0.0000 173.6931 39 V 3.7839 8.1163 121.2597 62.1691 32.0832 174.9901 40 P 4.6154 0.0000 0.0000 63.5317 31.1557 175.3085 41 F 4.9577 7.1712 113.0060 55.9508 40.9692 173.2347 42 V 4.8229 8.3494 120.8749 61.7105 33.4375 174.1170 43 H 5.1820 8.9409 121.2408 54.7654 32.4627 172.1563 44 S 5.4229 8.3475 112.8673 55.9903 66.2128 172.3996 45 H 5.0076 9.0638 115.6733 54.1806 32.2642 174.3392 46 K 4.2224 8.8684 121.8617 59.3052 32.3066 178.2147 47 Q 4.6028 7.8598 111.6651 55.6039 31.3840 173.6726 48 N 5.2112 8.1276 118.7337 52.1658 40.6245 174.1133 49 E 4.3756 9.4200 125.1739 55.8717 31.5632 174.7247 50 E 5.2670 8.9757 125.3002 54.4555 33.3938 174.2682 51 I 5.1814 8.9973 127.4227 59.9234 40.1329 173.9311 52 Y 5.0095 9.4541 125.5510 56.1618 40.7212 175.1501 53 G 2.5218 8.5478 110.2044 43.7612 0.0000 171.6110 54 I 4.5137 7.9143 127.8706 60.6650 37.5066 176.8636 55 L 4.2858 8.8417 129.0128 57.1070 42.5310 177.0727 56 S 4.3447 8.1302 111.3462 58.1811 66.4838 175.6071 57 G 4.0194 9.1134 107.6926 45.9430 0.0000 172.4828 58 K 4.7593 7.3617 117.9165 55.9959 36.5020 175.1745 59 G 3.8296 7.6980 107.5398 46.0131 0.0000 172.1307 60 F 5.3605 8.1419 120.3163 56.2038 44.4233 173.6846 61 I 4.8269 8.7837 120.2454 59.8769 41.5880 173.7397 62 T 4.8339 8.9290 126.7212 62.2037 70.4930 173.6694 63 I 4.6157 8.8539 128.0070 59.4298 39.5909 175.8762 64 D 4.4360 9.9259 130.3223 55.3944 38.6754 175.8011 65 G 3.9360 8.1491 105.3797 45.2043 0.0000 172.4139 66 E 4.6065 7.8974 122.0448 54.3652 31.3287 174.5779 67 K 4.8632 8.5832 126.5993 55.6595 34.4528 175.6843 68 I 4.5759 8.8199 125.6765 59.2783 39.6606 175.0828 69 E 4.7361 8.9224 126.1296 56.4930 30.3211 176.1976 70 L 5.1649 8.7974 122.6891 53.2460 46.1154 175.4883 71 Q 4.9258 9.0626 118.2474 54.4169 32.5440 173.6567 72 A 4.2208 7.9888 122.4948 54.5062 18.6295 178.4169 73 G 4.1241 8.8558 111.1811 45.0081 0.0000 173.5226 74 D 4.7787 7.9513 120.5238 53.8199 42.1419 175.5981 75 W 5.3483 8.7760 121.5256 55.0068 32.7997 174.6315 76 L 4.9931 9.3913 122.8759 53.0670 45.9359 175.1489 77 R 5.1461 8.6970 121.3683 54.7247 32.6338 175.0287 78 I 4.6791 8.9231 126.1046 59.2292 40.7466 175.1684 79 A 4.3718 8.6780 128.5155 51.3202 19.5232 175.9881 80 P 4.2915 0.0000 0.0000 66.1644 31.6309 178.8609 81 D 4.5081 8.3784 116.7226 56.4610 40.7754 177.0628 82 G 3.7266 8.0059 108.1389 46.3128 0.0000 172.8508 83 K 4.9950 9.3032 125.5539 55.2939 33.4537 176.0908 84 R 5.4901 8.4350 121.6378 53.7743 33.3721 175.0144 85 Q 4.2595 8.0532 118.0027 55.7591 31.9111 172.6463 86 I 4.7810 8.0452 127.5763 60.0323 40.5512 174.1053 87 S 4.9765 8.7666 119.7486 57.1159 66.6124 173.5271 88 A 4.7477 8.9180 123.7740 50.9834 19.7232 177.1778 89 A 4.2708 8.2473 121.7215 51.5847 19.2122 179.1153 90 S 4.1287 8.7972 114.4055 60.6379 62.5910 174.7589 91 D 4.9494 7.7187 117.0022 52.3751 39.1927 175.1804 92 S 4.6804 7.2746 111.8256 57.2353 66.0124 172.8594 93 P 4.7142 0.0000 0.0000 62.4954 33.6308 174.2918 94 I 5.0095 8.7631 118.9496 59.4431 41.7437 173.6247 95 G 4.5858 9.1645 116.2582 44.4285 0.0000 171.8999 96 F 5.4804 8.6543 118.6913 55.6344 42.1613 172.8973 97 L 5.1409 9.1569 119.3666 53.1735 44.8372 175.7793 98 C 4.5724 8.6773 119.7148 58.0675 31.3536 173.0426 99 I 4.7272 8.7830 126.6029 59.8053 38.7691 174.7285 100 Q 5.0079 9.1312 129.7240 54.5460 30.8808 174.7485 101 V 4.8353 8.5474 118.7192 59.1411 37.1006 174.5998 102 K 4.7045 8.9049 124.5200 55.6516 33.0601 176.1816 103 A 4.1349 8.6863 131.6149 53.7272 18.7238 177.5605 104 G 3.9688 8.8418 109.6607 45.9252 0.0000 174.6435 105 S 4.3017 7.8273 114.3349 59.8571 63.6331 174.7851 106 L 4.2531 7.8485 123.2590 54.9232 44.0240 173.2967 107 E 4.4115 9.0289 122.7102 56.4584 29.6257 179.4776 108 G 3.8934 9.2480 111.5376 46.5314 0.0000 172.4446 109 Y 4.6836 8.5025 116.3693 57.1850 40.9518 175.5402 110 T 3.4174 8.6171 118.7025 66.0227 68.0048 173.9578 *112 T 4.3257 7.7136 107.7192 60.8345 70.0441 173.4184 113 D 4.6952 7.7808 119.3004 55.3033 46.1988 175.8599 114 G 3.7827 8.5847 108.4804 44.9936 0.0000 173.1660 115 V 4.2597 7.9799 120.6245 60.4611 33.6838 175.4600 116 V 3.8065 8.3697 127.3484 62.6334 32.1632 174.8361 117 Q 4.5509 8.3659 125.3863 54.1424 30.1410 175.7085 118 L 4.1810 8.4690 121.8797 55.0588 41.7427 176.8064 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 K 8.31 4.32 0.00 1.52 1.67 0.00 1.35 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.39 7.81 3 N 8.75 4.71 0.00 2.89 2.89 0.00 0.00 6.76 6.57 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 4 Y 8.01 4.86 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.32 4.22 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 6 K 8.10 4.61 0.00 1.88 1.77 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 *8 S 8.26 4.24 0.00 3.93 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 9 V 8.05 4.30 2.06 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 0.78 0.00 0.00 0.91 0.00 0.00 10 A 8.40 4.15 1.25 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 11 Q 8.76 4.00 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.46 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 12 D 7.85 4.83 0.00 2.70 2.78 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 13 A 7.59 4.52 1.25 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 14 R 8.22 4.93 0.00 1.68 1.84 0.00 3.26 0.00 0.00 4.01 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 15 V 8.08 4.56 2.06 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 0.71 0.00 0.00 0.90 0.00 0.00 16 E 8.62 5.06 0.00 1.81 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 2.20 2.28 0.00 17 L 9.09 4.31 0.00 1.82 1.70 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.65 3.99 0.00 3.35 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.17 4.39 0.00 2.77 2.71 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 20 S 8.14 4.12 0.00 3.85 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 21 L 8.04 4.48 0.00 1.71 1.66 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.37 3.68 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 23 L 7.83 4.21 0.00 1.61 1.64 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.42 4.58 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 1.24 0.00 0.00 25 G 7.71 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 26 A 7.18 4.59 1.25 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 27 E 8.77 4.74 0.00 2.08 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 2.19 2.26 0.00 28 V 8.42 4.96 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 1.05 0.00 0.00 0.95 0.00 0.00 29 S 8.88 5.18 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.51 4.71 1.77 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 1.04 0.95 0.81 0.00 0.00 31 N 8.20 5.27 0.00 2.52 1.77 0.00 0.00 6.33 7.30 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 32 H 8.23 5.07 0.00 3.22 3.06 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.77 4.96 0.00 1.67 1.62 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.80 0.00 2.10 2.15 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 A 7.97 4.44 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 36 G 9.11 3.86 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 0.00 0.00 0.00 37 A 7.45 4.76 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.08 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 39 V 8.12 3.78 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 0.17 0.00 0.00 0.95 0.00 0.00 40 P 0.00 4.62 0.00 2.34 2.20 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 41 F 7.17 4.96 0.00 3.11 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 42 V 8.35 4.82 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 0.93 0.00 0.00 0.97 0.00 0.00 43 H 8.94 5.18 0.00 3.34 3.67 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.35 5.42 0.00 4.07 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 45 H 9.06 5.01 0.00 3.18 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.87 4.22 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 47 Q 7.86 4.60 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 48 N 8.13 5.21 0.00 2.62 2.71 0.00 0.00 6.75 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 49 E 9.42 4.38 0.00 2.02 1.95 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 2.33 2.29 0.00 50 E 8.98 5.27 0.00 2.14 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 2.24 2.37 0.00 51 I 9.00 5.18 2.00 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 0.58 1.26 0.00 0.00 52 Y 9.45 5.01 0.00 2.74 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 53 G 8.55 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 0.00 0.00 0.00 54 I 7.91 4.51 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.43 0.89 0.00 0.00 55 L 8.84 4.29 0.00 1.58 1.70 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.13 4.34 0.00 3.85 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 57 G 9.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.36 4.76 0.00 1.90 1.78 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.23 7.81 59 G 7.70 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 60 F 8.14 5.36 0.00 2.88 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 61 I 8.78 4.83 1.63 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.32 0.83 0.00 0.00 62 T 8.93 4.83 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 1.16 0.00 0.00 63 I 8.85 4.62 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.88 0.86 0.00 0.00 64 D 9.93 4.44 0.00 2.76 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 65 G 8.15 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.90 4.61 0.00 2.05 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 2.20 2.21 0.00 67 K 8.58 4.86 0.00 1.72 1.71 0.00 1.15 0.00 0.00 1.29 0.00 0.00 2.70 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.20 1.36 7.81 68 I 8.82 4.58 1.84 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 1.19 0.89 0.91 0.00 0.00 69 E 8.92 4.74 0.00 1.90 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 2.81 2.50 0.00 70 L 8.80 5.16 0.00 1.30 1.36 0.73 0.64 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 71 Q 9.06 4.93 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 72 A 7.99 4.22 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 73 G 8.86 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 74 D 7.95 4.78 0.00 2.65 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 75 W 8.78 5.35 0.00 3.13 3.15 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 0.00 0.00 0.00 0.00 76 L 9.39 4.99 0.00 1.60 1.50 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.70 5.15 0.00 1.85 1.82 0.00 3.32 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 78 I 8.92 4.68 1.94 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.89 0.00 0.00 79 A 8.68 4.37 1.25 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 80 P 0.00 4.29 0.00 2.11 2.28 0.00 3.62 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 2.15 2.25 0.00 81 D 8.38 4.51 0.00 2.67 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 82 G 8.01 3.73 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 0.00 0.00 0.00 83 K 9.30 5.00 0.00 1.79 1.75 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.37 7.81 84 R 8.44 5.49 0.00 1.60 1.85 0.00 3.24 0.00 0.00 3.14 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.27 0.00 85 Q 8.05 4.26 0.00 2.03 1.88 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 2.21 2.27 0.00 86 I 8.05 4.78 1.50 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.14 0.63 0.00 0.00 87 S 8.77 4.98 0.00 4.04 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 88 A 8.92 4.75 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.25 4.27 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 90 S 8.80 4.13 0.00 3.91 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 91 D 7.72 4.95 0.00 2.79 2.71 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 92 S 7.27 4.68 0.00 3.85 3.64 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 93 P 0.00 4.71 0.00 2.17 2.18 0.00 3.71 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 2.07 1.96 0.00 94 I 8.76 5.01 2.07 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.75 1.04 0.00 0.00 95 G 9.16 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 5.48 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.16 5.14 0.00 1.40 1.54 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 98 C 8.68 4.57 0.00 2.68 2.53 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 99 I 8.78 4.73 1.93 0.00 0.00 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 1.17 0.77 0.94 0.00 0.00 100 Q 9.13 5.01 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 101 V 8.55 4.84 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 0.66 0.00 0.00 0.99 0.00 0.00 102 K 8.90 4.70 0.00 1.85 1.71 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.31 7.81 103 A 8.69 4.13 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 0.00 104 G 8.84 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 0.00 0.00 0.00 105 S 7.83 4.30 0.00 4.04 4.04 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 0.00 106 L 7.85 4.25 0.00 1.58 1.59 0.94 0.55 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 0.00 107 E 9.03 4.41 0.00 2.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 108 G 9.25 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 0.00 109 Y 8.50 4.68 0.00 2.99 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 0.00 110 T 8.62 3.42 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 1.23 0.00 0.00 *112 T 7.71 4.33 4.15 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 0.00 0.00 0.00 1.08 0.00 0.00 113 D 7.78 4.70 0.00 2.69 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 0.00 114 G 8.58 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 0.00 0.00 0.00 115 V 7.98 4.26 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 0.84 0.00 0.00 0.93 0.00 0.00 116 V 8.37 3.81 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 0.85 0.00 0.00 0.92 0.00 0.00 117 Q 8.37 4.55 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 118 L 8.47 4.18 0.00 1.63 1.57 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.