NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.6088 0.0000 0.0000 62.5892 33.7074 174.4980 12 V 4.8135 8.6681 113.8104 59.3152 35.6167 173.3490 13 L 5.1523 10.0356 123.2607 53.1475 45.4311 175.7694 14 L 4.7627 8.7559 121.7956 53.1872 44.0082 174.8731 15 K 4.8311 8.8055 126.2155 54.0323 34.9237 175.1787 16 S 3.8703 9.0006 123.4558 58.4542 62.6059 174.7264 17 T 3.7075 8.2863 118.8354 65.0395 68.4939 175.6998 18 E 3.9550 8.1778 122.0359 58.4943 29.7969 177.1625 19 T 4.2152 7.6801 105.2854 60.5959 69.8417 174.9994 20 G 3.7296 7.8624 109.8784 46.3035 0.0000 173.3463 21 Q 4.4793 7.3270 118.3434 54.9686 30.5810 174.5367 22 Y 4.9267 9.1140 120.8714 56.6485 40.0059 175.3305 23 L 4.7114 9.1117 123.8975 55.1659 43.3463 176.2060 24 R 4.8905 9.1377 122.1891 54.9510 33.7971 173.4920 25 I 4.8027 7.8296 126.9819 59.8798 38.5203 175.5426 26 N 4.6018 9.0110 125.1836 51.4542 39.6821 174.6974 27 P 4.1588 0.0000 0.0000 65.5460 31.4767 177.3043 28 D 4.4906 7.9578 115.1185 53.6725 39.7824 177.0900 29 G 4.1708 8.5106 110.6701 45.0881 0.0000 173.8455 30 T 4.4627 8.1460 110.3737 61.5620 70.4431 173.7548 31 V 4.9850 8.2386 122.1238 61.5059 34.5040 174.1564 32 D 4.7628 9.0009 126.2786 52.5691 42.9850 173.7443 33 G 4.6581 8.7793 105.3193 45.2978 0.0000 173.0397 34 T 4.8695 9.0241 115.9640 60.4086 71.4037 174.2335 35 R 4.7079 8.6089 123.5629 56.1168 30.7630 176.9180 36 D 4.6169 8.1594 120.5746 52.8284 39.5280 176.5720 37 R 3.7178 8.3885 125.9062 58.3380 30.3105 177.4074 38 S 4.2850 8.2934 110.7342 58.8733 63.8975 173.5673 39 D 4.4777 8.0664 123.1062 53.1895 41.3410 175.1599 40 P 4.2810 0.0000 0.0000 65.4104 31.5841 177.8229 41 H 4.4035 8.3056 115.1272 57.1810 28.6378 176.4264 42 I 4.4156 7.2681 111.3946 60.4536 38.1822 175.6732 43 Q 4.5238 7.7052 121.8844 55.7007 29.8726 175.0134 44 F 5.1956 9.3418 121.9233 55.6206 43.3848 173.6564 45 Q 4.8537 9.3942 122.5660 54.4989 31.4420 174.1992 46 I 4.9323 8.4713 127.4927 60.0768 38.4567 175.1370 47 S 4.9119 8.7502 121.6536 55.5396 66.5013 171.8373 48 P 4.7612 0.0000 0.0000 62.7598 31.7282 175.7436 49 E 4.2371 9.0940 125.5248 54.8679 31.1382 175.8450 50 G 3.9623 8.5808 119.2607 46.0760 0.0000 172.0594 51 N 4.6200 8.8605 116.1405 54.0656 38.3145 176.2542 52 G 4.1850 7.9746 105.1512 44.7438 0.0000 171.1121 53 E 4.9802 7.8923 118.2542 54.6677 34.6817 174.4749 54 V 5.0720 8.9474 113.0378 59.9011 36.4568 174.8548 55 L 5.1017 9.0794 122.0584 53.2362 44.7649 176.0515 56 L 4.6800 8.6988 122.1349 53.2304 43.6147 174.8069 57 K 4.8727 8.9051 126.1466 54.0435 35.0308 175.2428 58 S 3.8735 8.9954 122.8608 58.6421 62.6520 174.7564 59 T 3.7910 8.4196 125.0560 66.7770 68.0875 175.7059 60 E 4.1645 8.1099 119.1670 57.7427 30.0231 177.1253 61 T 4.3007 7.6773 106.5081 60.3258 70.3721 175.3918 62 G 3.7441 8.0806 109.5321 45.5639 0.0000 173.5936 63 Q 4.3251 7.5474 118.8094 55.7310 30.3397 174.5878 64 Y 5.0421 9.0401 120.2740 56.3586 40.4038 175.3276 65 L 4.6514 9.0555 123.8389 55.0051 43.4011 176.1424 66 R 5.1504 8.9783 122.3869 53.6664 33.8219 173.5555 67 I 4.8771 8.3805 126.5365 59.7663 38.7753 175.4586 68 N 4.5765 9.1689 125.3976 51.6353 39.5468 174.4845 69 P 4.2043 0.0000 0.0000 65.8786 31.4001 177.3778 70 D 4.4725 7.9400 114.4475 53.8374 39.7506 177.0078 71 G 4.1216 8.5995 110.6009 44.9757 0.0000 173.7451 72 T 4.4672 8.2374 110.5495 61.5041 70.4977 173.7782 73 V 5.0440 8.2657 122.2374 61.4245 34.3924 174.0553 74 D 4.8529 8.9621 125.9624 52.3468 43.4035 173.8056 75 G 4.5973 8.9736 105.6450 45.1439 0.0000 173.0859 76 T 4.8855 8.9325 115.7309 60.4524 71.3745 174.2724 76A R 4.6832 8.5951 123.3730 55.9889 31.0013 176.4796 77 D 4.5498 8.1759 119.8001 53.5262 39.6707 176.6794 78 R 3.8233 8.4059 126.9903 58.2223 30.3331 177.2816 79 S 4.3139 8.1247 110.6575 58.7153 63.8602 173.4365 80 D 4.5766 7.8278 122.8061 52.6553 40.9212 174.8735 81 P 4.4071 0.0000 0.0000 64.6864 31.6102 177.1492 82 H 4.4647 8.7364 116.7064 56.7065 28.5054 176.2951 83 I 4.6973 7.2263 111.6762 60.4837 38.3893 175.6795 84 Q 4.5258 7.5810 122.2517 55.6563 29.8281 175.0607 85 F 5.2959 9.3794 121.8382 55.7058 43.6002 173.8698 86 Q 4.9634 9.2147 119.5244 54.3049 31.8690 174.7027 87 I 4.8931 8.4549 124.3902 59.9805 38.8648 175.0896 88 S 4.7698 8.8725 122.0626 55.5878 65.2794 172.1446 89 P 4.5539 0.0000 0.0000 62.9084 31.8436 174.6926 90 E 4.3234 9.6610 122.6509 57.7961 31.3203 177.0219 91 G 3.8540 8.3966 104.4713 45.7236 0.0000 172.2719 92 N 4.6233 8.6318 120.9697 53.2453 37.8194 175.0598 93 G 4.0049 8.9739 112.9562 44.8845 0.0000 172.5405 94 E 4.6439 7.7720 118.9044 56.1141 31.1953 175.9754 95 V 4.9966 9.2364 115.0839 59.7847 36.5915 174.3412 96 L 5.2479 9.0017 121.8855 53.2640 44.7121 176.1003 97 L 5.0366 8.7167 122.0351 53.2182 43.8754 174.8250 98 K 4.7969 8.9878 126.4188 54.3335 34.6648 174.9661 99 S 4.0598 8.9682 123.8176 57.7476 62.5111 174.5548 100 T 3.6747 8.1939 119.1780 64.9327 68.3418 175.5577 101 E 3.9637 8.1237 122.0515 58.0856 29.8267 176.9193 102 T 4.3056 7.5926 105.3629 60.2760 70.1901 174.5889 103 G 3.6069 8.1414 110.7275 46.5989 0.0000 172.9269 *107 Q 4.5712 7.4975 117.1420 55.8498 30.8091 173.7066 108 Y 4.9311 8.9139 120.5482 56.4729 39.8279 175.0741 109 L 4.6277 9.0299 126.1385 55.5549 43.7710 175.7346 110 R 5.0650 9.1420 124.8700 54.9057 33.8362 173.3867 111 I 4.9211 8.0450 126.4910 59.8176 38.7781 175.4893 112 N 4.6487 9.0856 125.0989 51.3344 39.8026 174.5585 113 P 4.2484 0.0000 0.0000 65.6751 31.4425 177.3146 114 D 4.4791 7.9722 114.9257 53.7371 39.7316 177.0740 115 G 4.0019 8.6314 110.5425 44.9962 0.0000 173.7130 116 T 4.5065 8.1732 110.4783 61.4709 70.5045 173.7736 117 V 5.0513 8.2271 122.0851 61.5026 34.5689 174.1408 118 D 4.8127 9.0478 126.0637 52.6594 43.1202 173.7595 119 G 4.7598 8.7939 104.7648 44.8194 0.0000 172.7637 *123 T 4.7572 8.1129 115.3268 62.1866 68.7191 174.4595 123A R 4.4098 8.6726 123.6423 56.4366 31.0258 176.7104 124 D 4.5630 8.1692 119.1315 53.4443 39.7475 176.4705 125 R 3.6497 8.4911 127.0871 58.0937 30.3163 177.1659 126 S 4.4629 7.7824 110.2038 58.1371 63.6425 173.6933 127 D 4.4161 7.9309 123.4636 53.6975 41.5521 175.1291 128 P 4.4709 0.0000 0.0000 64.7204 31.4518 177.1186 129 H 4.5424 9.0018 116.5799 56.3012 28.6477 176.0843 130 I 4.6479 7.1478 112.0536 60.0194 37.7505 175.4381 131 Q 4.5617 7.4156 120.8919 55.6392 29.9692 174.9654 132 F 5.0436 9.4132 122.3084 55.5125 43.5447 173.7733 133 Q 4.9252 9.1517 120.0128 54.5654 30.9297 174.3925 134 I 4.9741 8.4460 124.6315 60.3051 38.5695 175.3183 135 S 4.7847 8.9083 120.7673 55.6904 66.6050 171.7945 136 P 4.6897 0.0000 0.0000 62.9883 31.9815 175.8699 137 E 4.1787 8.7179 123.3755 56.5191 29.1904 176.2148 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 11 P 0.00 4.61 0.00 2.08 2.13 0.00 3.49 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 1.98 2.11 0.00 12 V 8.67 4.81 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 0.77 0.00 0.00 0.99 0.00 0.00 13 L 10.04 5.15 0.00 1.69 1.71 0.66 0.76 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 14 L 8.76 4.76 0.00 1.37 1.36 -0.12 0.76 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 15 K 8.81 4.83 0.00 1.80 1.59 0.00 1.27 0.00 0.00 1.36 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.97 0.31 7.81 16 S 9.00 3.87 0.00 3.50 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 17 T 8.29 3.71 4.21 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 1.17 0.00 0.00 18 E 8.18 3.95 0.00 1.79 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 2.13 2.27 0.00 19 T 7.68 4.22 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 1.20 0.00 0.00 20 G 7.86 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 21 Q 7.33 4.48 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 22 Y 9.11 4.93 0.00 3.03 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 23 L 9.11 4.71 0.00 1.67 1.76 0.44 1.04 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 24 R 9.14 4.89 0.00 1.95 2.07 0.00 3.17 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 25 I 7.83 4.80 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.91 0.00 0.00 26 N 9.01 4.60 0.00 2.85 2.65 0.00 0.00 6.57 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 27 P 0.00 4.16 0.00 2.00 2.09 0.00 3.54 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 28 D 7.96 4.49 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.51 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 30 T 8.15 4.46 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 1.26 0.00 0.00 31 V 8.24 4.98 2.30 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 0.96 0.00 0.00 1.02 0.00 0.00 32 D 9.00 4.76 0.00 3.00 2.77 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 33 G 8.78 4.66 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 0.00 0.00 0.00 34 T 9.02 4.87 4.31 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 1.34 0.00 0.00 35 R 8.61 4.71 0.00 1.87 1.98 0.00 3.26 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 36 D 8.16 4.62 0.00 2.80 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 37 R 8.39 3.72 0.00 1.80 1.95 0.00 2.84 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 38 S 8.29 4.29 0.00 3.98 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 39 D 8.07 4.48 0.00 2.97 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 40 P 0.00 4.28 0.00 2.01 1.97 0.00 3.51 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 1.99 2.02 0.00 41 H 8.31 4.40 0.00 3.32 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.27 4.42 1.96 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 1.54 1.29 0.96 0.00 0.00 43 Q 7.71 4.52 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 44 F 9.34 5.20 0.00 3.07 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 45 Q 9.39 4.85 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 46 I 8.47 4.93 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.92 0.00 0.00 47 S 8.75 4.91 0.00 3.92 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 0.00 48 P 0.00 4.76 0.00 1.98 2.04 0.00 3.64 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 2.04 2.10 0.00 49 E 9.09 4.24 0.00 2.03 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 2.14 2.24 0.00 50 G 8.58 3.96 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 0.00 0.00 0.00 51 N 8.86 4.62 0.00 2.82 2.95 0.00 0.00 5.57 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 G 7.97 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 0.00 0.00 0.00 53 E 7.89 4.98 0.00 1.91 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 2.21 2.26 0.00 54 V 8.95 5.07 2.18 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 0.79 0.00 0.00 1.05 0.00 0.00 55 L 9.08 5.10 0.00 1.73 1.78 0.73 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.70 4.68 0.00 1.38 1.33 -0.26 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.91 4.87 0.00 1.81 1.59 0.00 1.28 0.00 0.00 1.37 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.00 0.45 7.81 58 S 9.00 3.87 0.00 3.57 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 59 T 8.42 3.79 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 1.15 0.00 0.00 60 E 8.11 4.16 0.00 1.89 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 2.22 2.07 0.00 61 T 7.68 4.30 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 1.17 0.00 0.00 62 G 8.08 3.74 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 0.00 0.00 0.00 63 Q 7.55 4.33 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 64 Y 9.04 5.04 0.00 3.13 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 65 L 9.06 4.65 0.00 1.64 1.70 0.50 1.08 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 66 R 8.98 5.15 0.00 1.96 2.08 0.00 3.26 0.00 0.00 3.34 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 67 I 8.38 4.88 1.81 0.00 0.00 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 1.50 0.94 0.93 0.00 0.00 68 N 9.17 4.58 0.00 2.84 2.66 0.00 0.00 6.55 7.68 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 69 P 0.00 4.20 0.00 2.00 2.11 0.00 3.55 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 70 D 7.94 4.47 0.00 2.76 2.77 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 71 G 8.60 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 T 8.24 4.47 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 1.27 0.00 0.00 73 V 8.27 5.04 2.30 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 1.01 0.00 0.00 1.02 0.00 0.00 74 D 8.96 4.85 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.97 4.60 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 0.00 0.00 0.00 76 T 8.93 4.89 4.31 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 1.39 0.00 0.00 76A R 8.60 4.68 0.00 1.87 1.98 0.00 3.27 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 77 D 8.18 4.55 0.00 2.80 2.62 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 78 R 8.41 3.82 0.00 1.80 1.93 0.00 2.93 0.00 0.00 3.03 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 79 S 8.12 4.31 0.00 4.01 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 80 D 7.83 4.58 0.00 2.92 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 81 P 0.00 4.41 0.00 2.28 2.18 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 82 H 8.74 4.46 0.00 3.33 3.50 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.23 4.70 1.95 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.96 0.00 0.00 84 Q 7.58 4.53 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 85 F 9.38 5.30 0.00 2.86 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 86 Q 9.21 4.96 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 87 I 8.45 4.89 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.92 0.00 0.00 88 S 8.87 4.77 0.00 3.91 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 89 P 0.00 4.55 0.00 2.07 2.05 0.00 3.65 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 2.05 2.10 0.00 90 E 9.66 4.32 0.00 1.81 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 2.17 2.23 0.00 91 G 8.40 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 92 N 8.63 4.62 0.00 2.83 2.85 0.00 0.00 6.36 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 93 G 8.97 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 0.00 0.00 0.00 94 E 7.77 4.64 0.00 1.93 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 2.37 2.33 0.00 95 V 9.24 5.00 2.18 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 0.80 0.00 0.00 1.02 0.00 0.00 96 L 9.00 5.25 0.00 1.70 1.71 0.64 0.55 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 97 L 8.72 5.04 0.00 1.39 1.37 -0.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.99 4.80 0.00 1.89 1.66 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.63 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.06 0.55 7.81 99 S 8.97 4.06 0.00 3.41 3.46 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 0.00 100 T 8.19 3.67 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 1.27 0.00 0.00 101 E 8.12 3.96 0.00 1.73 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 1.80 2.23 0.00 102 T 7.59 4.31 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 1.22 0.00 0.00 103 G 8.14 3.61 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 0.00 *107 Q 7.50 4.57 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 108 Y 8.91 4.93 0.00 3.03 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 0.00 109 L 9.03 4.63 0.00 2.00 1.60 1.05 0.42 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 0.00 110 R 9.14 5.07 0.00 2.00 2.07 0.00 3.19 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 111 I 8.05 4.92 1.81 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.93 0.00 0.00 112 N 9.09 4.65 0.00 2.85 2.66 0.00 0.00 6.57 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 0.00 113 P 0.00 4.25 0.00 2.01 2.11 0.00 3.57 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 114 D 7.97 4.48 0.00 2.76 2.77 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 0.00 115 G 8.63 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 0.00 0.00 0.00 116 T 8.17 4.51 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 1.26 0.00 0.00 117 V 8.23 5.05 2.30 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 0.98 0.00 0.00 1.02 0.00 0.00 118 D 9.05 4.81 0.00 3.04 2.77 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 0.00 119 G 8.79 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *123 T 8.11 4.76 4.32 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 1.35 0.00 0.00 123A R 8.67 4.41 0.00 1.88 2.00 0.00 3.26 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 124 D 8.17 4.56 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 3.65 0.00 1.84 1.90 0.00 3.33 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 0.00 126 S 7.78 4.46 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 0.00 127 D 7.93 4.42 0.00 2.96 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 0.00 128 P 0.00 4.47 0.00 2.20 2.18 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 129 H 9.00 4.54 0.00 3.31 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.15 4.65 1.98 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 1.52 1.23 1.03 0.00 0.00 131 Q 7.42 4.56 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 132 F 9.41 5.04 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 0.00 133 Q 9.15 4.93 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 134 I 8.45 4.97 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.92 0.00 0.00 135 S 8.91 4.78 0.00 3.90 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 0.00 136 P 0.00 4.69 0.00 1.97 2.05 0.00 3.70 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 2.04 2.11 0.00 137 E 8.72 4.18 0.00 2.08 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 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.