NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2278 8.3144 121.7891 55.6045 33.3576 175.2088 4 L 3.8954 8.5704 127.9848 54.1316 42.3581 174.9611 5 T 4.5958 8.2611 113.5708 61.4813 71.6677 173.3366 6 R 4.6761 7.6250 116.2188 54.9012 32.2121 173.8134 7 L 4.7296 8.2375 118.9739 53.2194 43.3926 177.6841 8 G 3.8874 9.4907 110.0777 44.2486 0.0000 174.6942 9 D 4.3618 8.4924 119.8195 57.1949 40.7702 178.9835 10 L 3.9650 7.8099 120.4452 57.9778 41.9741 178.5744 11 E 3.8701 8.0187 117.3395 59.3688 29.5125 178.8497 12 R 3.9456 8.0986 117.8037 59.1364 30.5097 177.8641 13 A 4.1743 8.0194 120.6832 55.2717 18.3409 179.9138 14 V 3.4587 7.4972 112.2587 64.6245 30.6812 177.0646 *16 D 4.7860 7.9647 118.5505 54.6946 43.0213 177.3082 17 H 4.1453 8.0785 117.5876 59.4041 29.5908 177.3199 18 L 3.9061 7.7111 120.7104 57.5897 41.1979 179.3458 19 W 4.6055 7.3837 117.8542 58.4457 29.1735 177.6171 20 S 4.6160 7.9275 112.7867 57.7043 63.4402 174.0498 21 R 4.7138 7.1555 121.4120 54.6176 33.1907 175.7693 22 T 4.1099 8.5837 111.9105 64.0581 69.4354 174.9946 23 E 4.4091 7.8541 120.3070 54.3643 30.6784 174.2489 24 P 4.6147 0.0000 0.0000 63.3195 32.2954 175.5593 25 Q 5.1034 8.8622 121.1345 54.1733 32.1530 175.6820 26 T 4.9897 8.8979 113.0862 60.9134 70.2660 175.7049 27 V 3.4480 8.7791 121.6571 66.3000 31.3061 177.9550 28 R 4.1252 8.2323 117.7191 59.8624 29.8978 178.2711 29 Q 3.9933 8.2310 117.6694 58.8704 28.6033 179.0839 30 V 3.3760 7.8061 119.3054 66.0726 31.6057 177.4078 31 H 4.1324 8.5625 118.4075 59.5082 29.4536 176.8991 32 E 3.8762 8.1908 118.7743 59.3356 29.4888 178.9508 33 A 4.0794 7.8299 120.6659 55.2573 18.4900 179.7603 34 L 4.0387 8.2679 117.4581 57.4933 41.1527 179.4964 35 S 5.0534 8.4780 116.0424 60.0840 62.4022 176.0620 36 A 4.1143 7.6319 123.2978 54.4814 18.1428 178.3012 37 R 4.5466 7.4887 109.9402 55.6912 32.9348 175.9083 38 R 4.5996 8.1165 115.9306 54.2411 33.4761 174.4087 39 D 5.0253 8.5733 120.8496 52.9052 41.0028 175.8517 40 L 4.8302 8.0821 122.9572 52.1005 45.4302 176.8318 41 A 4.1868 8.2491 123.7113 52.0709 18.9315 178.1037 42 Y 3.7755 8.8127 122.4707 61.1415 38.5417 179.1392 43 T 3.6856 7.9367 108.9380 64.7879 69.2126 176.3677 44 T 4.0244 7.6882 118.9583 66.2842 68.4664 177.7505 45 V 3.5447 6.9334 117.0112 63.3720 31.3449 177.3780 *47 A 4.2062 7.9919 122.0033 51.6575 20.5433 180.1308 48 V 3.5184 7.7976 115.0430 65.7836 31.4060 177.9283 49 L 3.5770 7.5435 118.8422 58.1075 41.5341 179.4954 50 Q 4.0374 7.9054 116.8964 59.2089 28.6599 179.3499 51 R 3.9160 8.0620 118.8298 59.2829 30.0808 179.0653 52 L 3.9719 8.1912 118.8656 57.7679 41.5490 179.4956 53 A 4.7275 8.2653 122.2887 54.5447 18.0839 179.4953 54 K 4.0803 7.7448 116.9315 58.7703 32.3114 178.1913 55 K 4.3606 7.7659 116.9698 55.2263 32.1070 176.0597 56 N 4.2667 7.7891 115.1869 54.3909 36.8784 175.0419 57 L 4.6073 8.0555 118.3311 55.7275 43.5958 176.9615 58 V 5.0524 7.6469 110.6959 59.5168 36.8023 173.7430 59 L 4.9649 8.6987 123.6616 53.3690 45.0208 174.7756 60 Q 4.2420 8.5753 126.7370 54.8848 30.0904 174.4924 61 I 4.5250 8.5456 127.4518 59.6218 40.0829 175.1909 62 R 4.4964 8.1016 122.8442 54.4431 33.7966 175.5188 *66 A 4.1726 8.2659 123.4512 52.6406 18.9408 174.6171 67 H 4.7653 8.1832 117.9006 55.4200 30.6479 174.4653 68 R 5.1672 8.7551 120.6434 54.6017 34.7812 173.8413 69 Y 5.1519 9.0786 117.6220 56.2164 41.9035 174.5551 70 A 5.1815 8.7156 125.1140 49.1734 22.3014 173.6904 71 P 4.7319 0.0000 0.0000 62.8760 31.6899 176.8161 72 V 3.8057 8.6916 124.2241 65.4239 32.0048 175.9992 73 H 5.0343 8.1634 115.2685 53.1917 31.9273 174.0639 74 G 3.7602 8.4071 109.2217 43.8511 0.0000 174.7545 75 R 2.0000 7.1177 119.1261 58.9714 29.7809 178.1863 76 D 4.2816 7.5071 117.7759 57.3976 40.9634 178.5389 77 E 3.9722 7.9606 118.5221 58.9933 29.4510 178.9402 78 L 3.9124 8.0851 120.9232 58.1212 41.9340 179.2774 79 V 3.5367 7.1046 115.2968 65.9122 31.5770 177.3039 80 A 4.2060 7.7751 119.3902 55.3670 18.4132 179.5791 81 G 3.6886 8.4517 104.4313 47.5881 0.0000 176.4764 82 L 4.3072 7.8222 119.5585 54.8429 41.5451 179.3787 *84 V 3.9394 7.7725 120.3323 63.1031 33.2011 177.0989 85 D 4.3474 8.2431 118.1960 57.2663 40.8588 178.4460 86 A 4.0799 8.1076 121.2902 55.1379 18.4400 179.5012 87 L 3.8600 7.8219 118.1272 58.0472 41.9825 178.6425 88 A 4.1176 7.9019 119.6333 54.5646 18.2947 179.1388 89 Q 4.0154 7.7676 115.7971 57.4436 29.1829 176.8635 90 A 4.1202 7.2460 122.5400 52.4014 18.9248 177.5156 91 E 4.1409 8.7397 121.1924 59.0010 30.0841 176.7040 92 D 4.6122 7.8017 117.0903 51.3169 43.7079 176.2804 93 S 4.2063 8.6440 114.2662 61.3572 62.7906 176.6153 94 G 3.6060 8.1201 109.1891 47.7883 0.0000 175.6723 95 S 4.2558 8.7430 117.3115 60.7197 63.1410 176.5433 96 R 3.8843 8.2846 122.1851 59.1932 29.8376 178.5636 97 Q 3.9298 8.2950 118.9378 59.3568 29.1149 178.3413 98 A 4.0117 8.0885 121.4881 54.8838 18.3284 179.3680 99 A 4.0218 8.5429 119.7965 55.5262 18.5252 179.8883 100 L 4.1212 8.1581 117.5155 57.8203 41.4367 179.8929 101 V 3.5883 7.8382 118.2543 66.5373 31.2607 177.9362 102 H 4.6386 7.9879 115.8566 57.9496 28.7419 177.2708 103 F 4.4463 8.7294 123.0865 61.6610 38.9877 177.7755 104 V 3.2841 7.9377 111.4921 63.9429 31.1285 178.3748 105 E 4.0716 7.9936 118.3678 58.4730 29.0229 178.4239 106 R 4.3001 7.6352 115.9273 56.2271 31.2228 176.8372 107 V 3.8653 6.5593 111.8697 59.9282 32.8480 176.2199 108 G 3.9447 8.4321 109.1166 43.0836 0.0000 174.6566 109 A 3.9108 8.3387 121.2194 55.3589 18.4060 179.2636 110 D 4.3283 8.1931 116.7537 57.9087 40.3475 179.3337 111 E 3.9138 8.0948 117.8139 59.3667 29.5187 179.0345 112 A 3.9762 8.3877 121.1011 55.3126 18.3200 179.5031 113 D 4.2350 9.0302 118.0538 57.2128 40.9192 178.4922 114 A 3.9908 8.4304 121.7826 55.3549 18.2374 179.6278 115 L 3.9446 7.9994 117.0287 58.0661 41.7662 179.8958 116 R 3.9122 8.0661 117.9516 59.4091 30.0574 179.2856 117 R 3.8965 8.8048 118.1925 59.2698 30.0331 178.9897 118 A 4.0073 8.1045 120.4180 55.1970 18.2458 179.6930 119 L 3.9120 8.2208 117.4505 57.8990 41.5537 179.6650 120 A 4.0161 8.0977 120.7542 55.2003 18.0810 179.5981 121 E 3.9326 8.1481 116.3405 59.0772 29.5426 178.8552 122 L 4.1219 7.7906 120.2467 58.9927 42.2468 178.2779 123 E 4.0463 7.9378 116.8126 58.7725 29.5500 176.4966 124 A 4.1501 8.0111 128.8554 51.4738 18.4735 177.2622 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 3 K 8.31 4.23 0.00 1.71 1.79 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 4 L 8.57 3.90 0.00 1.74 1.59 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.26 4.60 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 6 R 7.62 4.68 0.00 2.17 1.90 0.00 3.13 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.22 0.00 7 L 8.24 4.73 0.00 1.69 1.63 1.07 0.91 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 8 G 9.49 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 9 D 8.49 4.36 0.00 2.77 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 10 L 7.81 3.97 0.00 1.72 1.61 0.87 0.95 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 11 E 8.02 3.87 0.00 2.06 1.93 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 2.26 2.33 0.00 12 R 8.10 3.95 0.00 1.79 2.21 0.00 3.46 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 13 A 8.02 4.17 1.37 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 0.00 0.00 14 V 7.50 3.46 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 0.83 0.00 0.00 0.85 0.00 0.00 *16 D 7.96 4.79 0.00 3.05 2.81 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 17 H 8.08 4.15 0.00 3.24 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.71 3.91 0.00 1.39 1.57 0.80 0.98 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 19 W 7.38 4.61 0.00 3.59 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 20 S 7.93 4.62 0.00 4.07 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 21 R 7.16 4.71 0.00 1.71 1.81 0.00 3.33 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 22 T 8.58 4.11 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 1.23 0.00 0.00 23 E 7.85 4.41 0.00 1.99 1.92 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 2.29 2.28 0.00 24 P 0.00 4.61 0.00 1.93 1.99 0.00 3.62 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 2.02 2.13 0.00 25 Q 8.86 5.10 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 26 T 8.90 4.99 4.34 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 1.30 0.00 0.00 27 V 8.78 3.45 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 0.06 0.00 0.00 0.92 0.00 0.00 28 R 8.23 4.13 0.00 2.13 2.04 0.00 3.29 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 29 Q 8.23 3.99 0.00 2.38 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 30 V 7.81 3.38 2.10 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 0.96 0.00 0.00 0.94 0.00 0.00 31 H 8.56 4.13 0.00 3.22 3.50 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.19 3.88 0.00 2.08 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 2.32 2.50 0.00 33 A 7.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.27 4.04 0.00 1.78 1.71 0.86 0.70 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 35 S 8.48 5.05 0.00 4.00 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 36 A 7.63 4.11 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 37 R 7.49 4.55 0.00 1.81 1.93 0.00 3.11 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 38 R 8.12 4.60 0.00 1.95 1.76 0.00 3.08 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 39 D 8.57 5.03 0.00 2.65 2.64 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 40 L 8.08 4.83 0.00 1.60 1.51 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.25 4.19 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 42 Y 8.81 3.78 0.00 3.01 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 43 T 7.94 3.69 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 1.31 0.00 0.00 44 T 7.69 4.02 4.34 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 1.16 0.00 0.00 45 V 6.93 3.54 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 0.81 0.00 0.00 0.87 0.00 0.00 *47 A 7.99 4.21 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 48 V 7.80 3.52 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 1.00 0.00 0.00 0.90 0.00 0.00 49 L 7.54 3.58 0.00 1.24 0.24 0.53 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.91 4.04 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 51 R 8.06 3.92 0.00 1.92 1.94 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 52 L 8.19 3.97 0.00 1.71 1.65 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.27 4.73 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.08 0.00 1.92 1.96 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 55 K 7.77 4.36 0.00 1.93 1.82 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.69 7.81 56 N 7.79 4.27 0.00 2.86 2.89 0.00 0.00 6.84 7.90 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 57 L 8.06 4.61 0.00 1.69 1.72 0.94 0.84 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 58 V 7.65 5.05 2.31 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 0.81 0.00 0.00 1.09 0.00 0.00 59 L 8.70 4.96 0.00 1.75 1.46 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.58 4.24 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.51 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 61 I 8.55 4.53 1.85 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 1.13 0.73 0.85 0.00 0.00 62 R 8.10 4.50 0.00 1.62 1.64 0.00 3.12 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.32 0.00 *66 A 8.27 4.17 1.30 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 0.00 0.00 67 H 8.18 4.77 0.00 3.11 3.06 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.76 5.17 0.00 1.65 1.74 0.00 3.06 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 69 Y 9.08 5.15 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.72 5.18 1.22 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 0.00 0.00 0.00 71 P 0.00 4.73 0.00 2.52 1.93 0.00 3.83 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 2.18 2.08 0.00 72 V 8.69 3.81 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 0.56 0.00 0.00 0.92 0.00 0.00 73 H 8.16 5.03 0.00 3.30 3.20 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.41 3.76 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 75 R 7.12 2.00 0.00 0.88 1.38 0.00 3.01 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.00 76 D 7.51 4.28 0.00 2.61 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 77 E 7.96 3.97 0.00 1.96 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 2.36 2.30 0.00 78 L 8.09 3.91 0.00 1.98 1.84 1.01 1.49 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 79 V 7.10 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 0.86 0.00 0.00 0.95 0.00 0.00 80 A 7.78 4.21 1.32 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 0.00 0.00 81 G 8.45 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 0.00 0.00 0.00 82 L 7.82 4.31 0.00 1.86 1.68 0.99 0.56 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 *84 V 7.77 3.94 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 0.97 0.00 0.00 0.96 0.00 0.00 85 D 8.24 4.35 0.00 2.85 2.70 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 86 A 8.11 4.08 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 87 L 7.82 3.86 0.00 1.65 1.75 0.87 1.18 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 88 A 7.90 4.12 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 0.00 0.00 0.00 0.00 0.00 89 Q 7.77 4.02 0.00 2.15 2.16 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 2.63 2.50 0.00 90 A 7.25 4.12 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 91 E 8.74 4.14 0.00 1.97 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 2.31 2.29 0.00 92 D 7.80 4.61 0.00 2.93 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 93 S 8.64 4.21 0.00 4.07 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 94 G 8.12 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 95 S 8.74 4.26 0.00 4.06 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 0.00 96 R 8.28 3.88 0.00 2.02 2.03 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 97 Q 8.29 3.93 0.00 2.24 2.31 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 2.36 2.43 0.00 98 A 8.09 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 99 A 8.54 4.02 1.42 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 0.00 0.00 0.00 100 L 8.16 4.12 0.00 1.90 1.81 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.84 3.59 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 0.92 0.00 0.00 0.96 0.00 0.00 102 H 7.99 4.64 0.00 3.36 3.39 0.00 5.88 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.73 4.45 0.00 3.16 3.29 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 0.00 104 V 7.94 3.28 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 0.83 0.00 0.00 0.98 0.00 0.00 105 E 7.99 4.07 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 2.30 2.42 0.00 106 R 7.64 4.30 0.00 1.86 1.94 0.00 3.19 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 107 V 6.56 3.87 1.89 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 -0.01 0.00 0.00 0.65 0.00 0.00 108 G 8.43 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 0.00 109 A 8.34 3.91 1.30 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 0.00 0.00 110 D 8.19 4.33 0.00 2.75 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 0.00 111 E 8.09 3.91 0.00 2.27 1.93 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 2.37 2.43 0.00 112 A 8.39 3.98 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 0.00 113 D 9.03 4.24 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 0.00 114 A 8.43 3.99 1.37 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 0.00 0.00 115 L 8.00 3.94 0.00 1.97 1.76 0.99 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 0.00 116 R 8.07 3.91 0.00 2.00 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 117 R 8.80 3.90 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 118 A 8.10 4.01 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 0.00 119 L 8.22 3.91 0.00 1.85 1.73 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.10 4.02 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 0.00 0.00 0.00 0.00 0.00 121 E 8.15 3.93 0.00 2.18 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 2.34 2.31 0.00 122 L 7.79 4.12 0.00 1.82 1.93 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.94 4.05 0.00 2.11 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 2.41 2.55 0.00 124 A 8.01 4.15 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 * Residues marked with a * may have inaccurate shift predictions.