NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7727 8.3393 109.7448 45.6234 0.0000 173.4530 *2 T 4.1997 7.3895 109.1201 61.2983 71.5645 174.2370 3 V 3.8721 8.2355 114.0957 64.0948 31.5388 179.0677 4 G 3.6547 8.1330 105.4544 48.1088 0.0000 175.5774 5 T 3.8820 7.9457 118.4954 66.5301 68.5017 176.0773 6 Y 4.0840 7.8739 120.8552 60.7251 38.6416 177.9219 7 A 3.8792 8.1232 120.6989 55.0254 18.5072 179.1319 8 E 3.9792 8.0292 116.5069 58.5568 29.8923 178.3499 9 L 4.0023 7.5081 116.6333 54.3477 42.0645 178.1647 10 A 3.4296 7.2644 122.3774 55.1057 18.1137 179.8962 11 S 3.9924 7.6132 112.0715 61.2971 63.1201 176.8010 12 V 3.4514 7.3629 121.3435 65.7518 31.1801 177.6790 13 F 4.4833 7.9064 116.4141 60.7992 39.1624 177.1724 14 A 4.1989 8.4856 120.3427 55.1916 17.9559 179.5113 15 A 3.9176 7.8921 118.2335 55.0449 18.5620 179.0060 16 L 3.9441 7.8582 114.5577 55.0922 42.0133 178.1273 17 S 4.7429 7.7078 113.7968 57.4924 63.9007 173.0159 18 D 4.9371 7.3711 122.9708 52.1307 43.3653 175.7950 19 E 4.1831 9.0689 127.1862 59.8708 29.6727 178.7923 20 T 3.8834 8.0026 115.2289 66.7973 68.4663 176.6179 21 R 3.8082 8.4341 120.0466 58.8984 29.9057 179.1599 22 W 4.1350 8.0635 118.4013 59.7094 29.1043 178.3410 23 E 4.0434 8.4489 118.6312 59.4923 28.8207 179.5745 24 I 3.7109 7.8401 119.7024 64.3671 37.1273 178.4451 25 L 3.9548 8.1749 120.1693 58.1306 41.0376 179.7873 26 T 3.9480 8.3353 115.8615 66.6003 68.5334 176.4189 27 E 4.0227 8.0908 120.2036 59.6672 29.6211 179.4541 28 L 4.4768 8.3944 118.2947 56.7594 41.5238 179.1306 29 G 3.7999 8.1885 105.0194 46.3891 0.0000 175.5974 30 R 4.1502 7.4461 119.8513 57.8500 30.7746 176.2865 31 A 4.6303 7.3112 118.0704 50.4071 22.4729 175.4752 32 D 5.1969 8.5863 121.8333 54.5786 41.4273 176.0529 33 Q 4.7944 8.5936 120.6592 54.0983 33.8945 174.7051 34 S 4.9861 8.6566 115.9641 57.7168 64.8082 174.9826 35 A 4.0135 8.9526 121.8984 55.6009 18.1395 180.0637 36 S 4.1288 8.0736 112.7775 60.9808 62.9372 176.6357 37 S 4.0811 8.2975 116.5352 61.4016 62.1019 176.0689 38 L 3.9718 8.0171 121.3290 57.9077 41.1743 179.4468 39 A 3.9840 8.0615 119.5870 55.5347 18.3409 179.5599 40 T 4.0059 7.6579 112.9381 66.1138 68.5343 176.6903 41 R 4.1175 7.5522 119.7598 57.3973 30.7555 176.2879 42 L 4.7411 7.3674 117.1010 52.3285 44.3901 175.2860 43 P 4.6361 0.0000 0.0000 61.5644 30.1977 176.1899 44 V 4.4409 7.0836 117.5233 60.5889 35.2900 175.4279 45 S 4.3567 8.4798 121.5735 58.1085 64.9711 175.2018 46 R 3.8963 8.5173 122.7301 59.9711 29.8379 178.9084 47 Q 3.9556 8.0205 117.0741 58.7191 28.7003 178.2965 48 A 3.9326 8.1932 122.0234 54.9819 18.4241 179.6618 49 I 3.6138 8.1882 118.6024 64.4762 37.1312 178.2639 50 A 3.8964 8.0788 121.5877 55.2332 18.1803 179.9050 51 K 3.8482 7.8919 116.6120 59.8640 32.0901 179.2939 52 H 4.1709 8.2863 116.7267 58.9474 28.6140 177.8321 53 L 3.8369 8.2997 120.9825 57.8090 41.2950 179.3884 54 N 4.3102 8.3364 116.3138 56.1659 38.3411 177.3743 55 A 3.9342 8.0156 122.1153 55.1804 18.5050 179.6915 56 L 3.8735 8.2273 117.9420 58.0685 41.6455 179.8682 57 Q 4.7116 8.8201 119.5817 58.4146 28.4197 178.5609 58 A 4.0888 8.1602 121.4325 54.1827 18.4239 178.3590 59 C 4.5248 7.6494 110.7391 57.8096 30.1448 174.7134 60 G 3.9091 7.8329 109.0582 45.7629 0.0000 174.5574 61 L 4.2732 7.9715 120.3974 56.0622 43.0412 176.8683 62 V 5.0745 7.6579 118.1618 60.8586 35.4738 173.7833 63 E 5.1609 9.1290 124.3486 54.2882 32.7216 175.3517 64 S 4.4397 8.6829 116.3365 58.2476 64.6041 173.8949 65 V 4.1517 8.6897 121.9589 61.1944 33.8464 173.9382 66 K 4.8222 8.5670 129.7679 54.5604 34.0079 175.3648 67 V 4.2606 8.7154 128.4432 61.6823 34.0046 175.6907 68 G 3.7333 8.2260 117.8254 47.2744 0.0000 175.6084 69 R 4.2204 8.6713 123.1530 56.5147 30.6048 175.8086 70 E 4.2853 8.2413 119.5510 55.4380 30.2710 175.0416 71 I 4.6989 8.2380 124.3637 59.6790 39.3135 174.9858 72 R 4.8216 8.7652 125.3580 54.4883 34.8534 173.7798 73 Y 5.1358 8.9049 116.6949 56.4861 42.3412 175.1107 74 R 5.0802 8.8933 120.8378 54.6964 33.8202 174.2220 75 A 4.7059 8.5758 128.1557 51.8391 19.4466 176.6307 76 L 4.7288 8.6533 120.6692 52.6933 44.2447 178.1790 77 G 3.7104 8.9164 109.2318 46.7814 0.0000 175.6086 78 A 4.0051 8.1306 123.1270 55.7492 18.2140 179.4101 79 E 4.0012 8.1043 115.7902 59.0165 29.5533 179.3497 80 L 4.0626 7.8620 119.0759 57.7275 41.7090 178.9487 81 N 4.3681 8.6809 117.0379 56.0279 38.4879 177.4480 82 K 3.9231 8.2176 121.0953 59.7963 32.2649 179.0013 83 T 3.9148 8.1818 115.9599 66.6488 68.3083 176.4085 84 A 4.0335 8.3975 122.9835 55.2977 18.4108 179.9228 85 R 4.0308 8.2860 116.7178 59.6858 30.1424 179.4906 86 T 3.8819 8.0107 115.5096 66.6667 68.4257 176.8476 87 L 3.9205 8.3091 121.3043 57.6359 41.5008 179.4973 88 E 3.8653 8.4305 118.9021 59.4745 29.5801 179.4339 89 R 3.8547 7.9890 118.6890 59.3227 30.0825 178.6419 90 I 3.6679 7.7926 119.9494 63.9481 37.0359 178.5576 91 G 3.3083 7.9240 106.5143 47.5047 0.0000 175.5983 92 A 3.9899 8.2053 123.5703 54.9559 18.4359 179.3811 93 E 3.9586 8.0304 117.4998 59.2064 29.6177 179.0655 94 W 4.4429 8.3424 119.1341 60.0272 29.0509 178.2552 95 D 4.4413 8.5697 118.9257 57.2896 40.2024 179.0058 96 R 3.9335 8.5062 119.2292 59.1408 30.1314 178.9789 97 R 3.8794 8.1681 118.3697 59.4182 30.0829 178.1063 98 L 3.9215 8.2543 120.1655 58.2762 41.9752 178.7687 99 A 3.9729 8.3191 120.4343 55.0772 18.2660 179.3397 100 A 3.9426 8.0796 119.1960 55.4976 18.4584 179.9966 101 I 3.6628 7.7037 118.0360 64.4645 36.9562 178.8449 102 K 3.9866 8.1416 118.5583 59.5492 32.2834 179.1948 103 Q 4.1271 8.2800 118.4339 59.0032 28.6973 178.5604 104 I 3.7892 8.0688 119.2414 63.5886 37.7574 177.6938 105 A 4.0784 7.8127 121.0515 54.7559 18.2332 178.7582 106 E 4.1713 7.8208 115.5139 57.9529 29.7768 176.9858 107 S 4.2951 7.7565 118.5506 58.4686 63.0904 173.9368 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 0 G 8.34 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 *2 T 7.39 4.20 4.28 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 1.25 0.00 0.00 3 V 8.24 3.87 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 0.80 0.00 0.00 0.97 0.00 0.00 4 G 8.13 3.65 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 0.00 0.00 0.00 5 T 7.95 3.88 4.47 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 1.27 0.00 0.00 6 Y 7.87 4.08 0.00 3.21 3.18 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 7 A 8.12 3.88 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 8 E 8.03 3.98 0.00 2.13 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 2.37 2.44 0.00 9 L 7.51 4.00 0.00 0.73 0.42 0.91 0.58 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 10 A 7.26 3.43 0.69 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 11 S 7.61 3.99 0.00 3.98 4.03 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 12 V 7.36 3.45 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 1.14 0.00 0.00 0.82 0.00 0.00 13 F 7.91 4.48 0.00 3.16 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 14 A 8.49 4.20 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 15 A 7.89 3.92 1.26 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 0.00 0.00 16 L 7.86 3.94 0.00 1.75 1.97 1.06 0.11 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 17 S 7.71 4.74 0.00 4.13 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 0.00 18 D 7.37 4.94 0.00 2.76 2.51 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 19 E 9.07 4.18 0.00 2.14 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 2.66 2.47 0.00 20 T 8.00 3.88 4.40 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 1.15 0.00 0.00 21 R 8.43 3.81 0.00 1.89 1.74 0.00 3.02 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 22 W 8.06 4.14 0.00 3.59 3.20 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 23 E 8.45 4.04 0.00 2.11 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 2.66 2.53 0.00 24 I 7.84 3.71 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.84 0.00 0.00 25 L 8.17 3.95 0.00 1.75 1.68 0.28 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.34 3.95 4.47 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 1.26 0.00 0.00 27 E 8.09 4.02 0.00 2.22 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 0.00 2.49 2.53 0.00 28 L 8.39 4.48 0.00 1.70 1.83 0.94 1.22 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 29 G 8.19 3.80 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 0.00 0.00 0.00 30 R 7.45 4.15 0.00 1.85 2.19 0.00 3.30 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 31 A 7.31 4.63 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 32 D 8.59 5.20 0.00 2.57 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 33 Q 8.59 4.79 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 34 S 8.66 4.99 0.00 3.97 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 35 A 8.95 4.01 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 36 S 8.07 4.13 0.00 3.91 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 37 S 8.30 4.08 0.00 3.91 4.03 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 38 L 8.02 3.97 0.00 1.90 1.70 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.06 3.98 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 40 T 7.66 4.01 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 1.22 0.00 0.00 41 R 7.55 4.12 0.00 1.77 2.11 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 42 L 7.37 4.74 0.00 1.65 1.55 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.64 0.00 2.18 2.10 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 44 V 7.08 4.44 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 0.92 0.00 0.00 0.95 0.00 0.00 45 S 8.48 4.36 0.00 4.08 3.98 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 0.00 0.00 0.00 46 R 8.52 3.90 0.00 1.94 1.97 0.00 3.22 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 47 Q 8.02 3.96 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 48 A 8.19 3.93 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 49 I 8.19 3.61 2.00 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 1.45 0.64 0.83 0.00 0.00 50 A 8.08 3.90 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 51 K 7.89 3.85 0.00 1.88 1.77 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.60 7.81 52 H 8.29 4.17 0.00 3.25 3.25 0.00 5.62 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 53 L 8.30 3.84 0.00 1.48 1.24 0.13 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.34 4.31 0.00 2.83 2.84 0.00 0.00 6.92 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 55 A 8.02 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.23 3.87 0.00 1.72 1.65 0.80 0.68 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 57 Q 8.82 4.71 0.00 2.07 2.17 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 2.62 2.49 0.00 58 A 8.16 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 59 C 7.65 4.52 0.00 2.99 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 60 G 7.83 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 0.00 0.00 0.00 61 L 7.97 4.27 0.00 1.65 1.60 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.66 5.07 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 1.15 0.00 0.00 0.90 0.00 0.00 63 E 9.13 5.16 0.00 2.02 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 2.18 2.20 0.00 64 S 8.68 4.44 0.00 3.62 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 65 V 8.69 4.15 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 0.97 0.00 0.00 0.88 0.00 0.00 66 K 8.57 4.82 0.00 1.68 1.61 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.33 7.81 67 V 8.72 4.26 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 0.91 0.00 0.00 0.89 0.00 0.00 68 G 8.23 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 69 R 8.67 4.22 0.00 1.80 1.98 0.00 3.36 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 70 E 8.24 4.29 0.00 2.15 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 2.29 2.26 0.00 71 I 8.24 4.70 1.82 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 1.25 0.52 0.54 0.00 0.00 72 R 8.77 4.82 0.00 1.60 1.84 0.00 3.04 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 73 Y 8.90 5.14 0.00 2.87 2.85 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 74 R 8.89 5.08 0.00 2.00 1.71 0.00 3.27 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 75 A 8.58 4.71 1.24 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 76 L 8.65 4.73 0.00 1.47 1.54 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.92 3.71 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 0.00 0.00 0.00 78 A 8.13 4.01 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 79 E 8.10 4.00 0.00 1.95 1.96 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 2.36 2.40 0.00 80 L 7.86 4.06 0.00 1.93 1.79 1.10 0.80 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 81 N 8.68 4.37 0.00 2.84 2.87 0.00 0.00 6.64 7.93 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 82 K 8.22 3.92 0.00 1.81 1.78 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 83 T 8.18 3.91 4.47 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 1.44 0.00 0.00 84 A 8.40 4.03 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 85 R 8.29 4.03 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 86 T 8.01 3.88 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 1.24 0.00 0.00 87 L 8.31 3.92 0.00 1.64 1.64 0.92 0.78 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 88 E 8.43 3.87 0.00 2.14 1.96 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 2.30 2.42 0.00 89 R 7.99 3.85 0.00 1.98 1.99 0.00 3.08 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 90 I 7.79 3.67 1.47 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 1.35 0.50 -0.03 0.00 0.00 91 G 7.92 3.31 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 0.00 92 A 8.21 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 93 E 8.03 3.96 0.00 2.24 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 2.40 2.40 0.00 94 W 8.34 4.44 0.00 3.60 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 95 D 8.57 4.44 0.00 2.91 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 96 R 8.51 3.93 0.00 2.01 2.01 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 97 R 8.17 3.88 0.00 2.18 2.21 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 98 L 8.25 3.92 0.00 1.81 1.89 0.92 1.46 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 99 A 8.32 3.97 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 0.00 100 A 8.08 3.94 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 0.00 101 I 7.70 3.66 2.00 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 1.65 0.88 0.90 0.00 0.00 102 K 8.14 3.99 0.00 1.84 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 103 Q 8.28 4.13 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 104 I 8.07 3.79 1.96 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 1.46 1.62 0.93 0.00 0.00 105 A 7.81 4.08 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 0.00 106 E 7.82 4.17 0.00 2.14 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 2.55 2.45 0.00 107 S 7.76 4.30 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.