NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1739 8.3033 121.4517 56.1582 31.9244 177.8397 3 K 3.6841 7.8354 117.8148 58.4650 32.0980 177.5907 4 K 3.8033 8.1683 119.5788 59.2750 32.3679 178.2606 5 K 3.5150 7.4390 119.4721 58.9796 32.0994 178.8037 6 V 2.9948 7.1369 118.2218 65.6427 31.4351 177.8068 7 A 3.9012 7.7406 120.4232 55.1131 18.0215 178.8814 8 E 3.8503 7.6485 116.4462 59.5840 29.8377 178.9517 9 W 4.5635 7.8696 118.6320 59.7487 28.8697 178.2907 10 L 4.0824 8.2915 119.5802 57.6524 41.5875 177.9008 11 A 4.4974 7.7030 117.8916 52.2437 18.9065 178.0880 12 Q 3.9254 7.8331 118.8353 57.8247 28.9584 176.3765 13 G 3.8673 9.0279 102.1396 44.7231 0.0000 171.7363 14 S 4.6156 7.9091 111.7240 56.9114 65.9466 173.0996 15 I 4.1800 8.0573 121.3537 59.5644 38.0124 175.6074 16 A 4.0780 8.5819 128.9801 51.6392 18.3831 176.9270 17 V 4.1954 8.1689 123.8605 60.9266 31.7192 174.2249 18 P 4.3651 0.0000 0.0000 63.0521 33.0716 177.5307 19 K 4.1136 8.7399 120.3072 59.4670 31.7779 179.7492 20 L 4.2214 7.8952 118.4923 57.4229 41.9641 178.7324 21 L 4.2183 8.0516 119.8706 58.1906 42.0692 178.2003 22 L 4.2264 7.8988 119.1518 58.5307 42.0894 178.8215 23 G 3.8491 8.4025 102.5292 46.3347 0.0000 173.6965 24 H 4.8276 8.3527 115.3376 54.4139 32.4739 174.7368 25 Y 4.2097 8.1565 119.5633 59.9068 37.4548 178.3168 26 K 3.8647 6.9560 120.9652 59.3826 32.2025 178.5650 27 Q 4.0076 7.7606 115.9469 57.9174 28.7433 177.4571 28 L 4.3395 7.2194 117.6310 54.5403 41.9107 177.2144 29 G 3.8600 8.0604 107.4581 45.9196 0.0000 173.2741 30 L 4.7436 7.8959 119.0235 53.1454 43.1118 177.6730 31 G 4.0818 9.1743 110.0778 43.5543 0.0000 174.8406 32 E 3.8700 8.8256 119.4874 59.4802 29.5055 180.1301 33 G 3.5458 7.9910 105.0502 47.5285 0.0000 175.6287 34 E 3.8898 8.0087 120.4003 59.1872 29.6804 178.2762 35 L 3.6561 7.8930 120.5831 58.6562 41.9100 179.1679 36 V 3.4434 7.8912 117.7037 65.8984 31.3297 177.8691 37 L 3.9424 7.6629 119.6456 58.1418 41.9204 178.8426 38 L 3.8616 7.9875 119.0763 57.6970 41.5037 179.4946 39 L 3.8926 7.7854 118.7509 58.1857 41.5120 179.3618 40 H 4.1485 8.3942 116.3463 59.0175 28.5548 177.5788 41 M 3.8901 8.2643 120.9167 58.5320 31.7036 178.3087 42 Q 3.6366 7.9795 119.7606 59.5169 28.9739 178.8696 43 S 4.0480 7.9038 113.7632 61.1051 62.3953 176.0422 44 F 4.0465 8.2760 120.9596 60.5576 38.6827 177.3284 45 F 4.6852 8.4921 117.6837 61.1681 38.6156 177.7464 46 E 4.2770 8.5956 116.3487 58.3094 29.1807 177.9780 47 E 4.5918 7.8492 116.8516 55.9149 30.1704 177.1680 48 G 3.8515 8.4187 107.0462 46.1172 0.0000 174.5287 49 V 4.1677 7.9059 120.0074 61.7535 30.9360 175.2734 50 L 4.7077 8.5002 127.7445 55.3970 43.0043 176.6249 51 F 5.5613 7.9420 119.3308 56.1414 39.1496 172.9020 52 P 4.3222 0.0000 0.0000 62.4827 32.4720 177.7911 53 T 3.9692 8.3320 111.7089 60.8486 70.8568 173.7973 54 P 4.1242 0.0000 0.0000 66.0856 31.3971 178.7302 55 A 4.0174 7.8503 118.7842 54.6855 18.1852 179.3832 56 E 3.9055 7.8097 116.6154 59.5861 29.7580 179.0846 57 L 4.1966 8.0660 119.0843 57.9568 41.7058 179.5108 58 A 4.0829 8.1661 120.0954 54.3923 18.1175 178.9805 59 E 3.9025 7.8647 117.2207 58.6718 29.5938 177.7230 60 R 4.4706 7.4508 114.5064 55.8191 30.6192 174.9599 61 M 4.8075 7.7205 117.7656 53.5356 34.9786 175.8154 62 T 4.1987 8.2465 108.3965 62.6306 69.5860 175.5077 63 V 4.0357 7.3442 115.7375 60.4670 32.8812 176.3736 64 S 4.3815 8.2677 116.3574 57.6839 65.0702 174.8394 65 A 3.9202 8.6249 124.6820 55.7674 18.0108 180.0733 66 A 3.9021 7.9159 118.3400 55.3166 18.5330 179.3283 67 E 3.9285 8.2373 117.8398 59.2494 29.5752 178.5781 68 C 4.0817 8.3147 119.4425 62.4448 31.5982 175.1398 69 M 3.9744 8.3473 120.2310 58.5990 31.7726 177.9469 70 E 3.9597 8.2365 118.6766 59.7637 29.6648 179.3085 71 M 4.0187 7.9496 118.5252 58.2752 31.9362 178.9202 72 V 3.4434 8.0141 118.6495 65.9490 31.6553 177.5992 73 R 3.9004 7.9686 118.4637 60.0004 29.7937 178.4403 74 R 3.9225 8.3950 117.7237 59.1303 29.8922 179.2044 75 L 3.9339 7.9717 118.7699 57.6950 41.5795 179.1747 76 L 4.1772 8.1605 119.2042 58.2747 41.4632 179.9140 77 Q 4.0022 8.0807 116.0985 58.7302 28.7660 177.9772 78 K 4.0838 8.3067 116.1046 56.8658 32.2660 177.4828 79 G 3.8936 8.1867 107.2935 46.7866 0.0000 174.6617 80 M 4.2559 8.2629 121.4369 55.8655 32.7109 176.3555 81 I 5.0341 7.4653 109.6563 59.0802 41.2953 174.1777 82 A 4.9681 9.0580 123.6665 50.4134 23.1094 174.6844 83 I 4.8808 8.4014 119.3379 59.8116 39.1915 175.3641 84 E 4.5982 9.0127 128.1311 54.9204 33.4928 176.9713 *85 E 4.2172 8.4306 113.5242 55.8456 31.5379 175.8989 *95 E 3.9173 8.4334 117.4262 55.4636 31.7369 175.8473 96 K 4.5803 7.3219 117.0756 55.0846 36.1656 175.8231 97 Y 5.1179 8.6275 119.9132 58.8626 39.0182 175.2350 98 T 4.8024 8.9307 115.6443 61.0288 71.1968 174.3504 99 L 4.4081 9.3479 126.6590 55.9060 42.7271 178.9073 100 E 4.0586 8.3250 120.9733 58.8174 29.9136 177.3153 101 P 4.3527 0.0000 0.0000 65.1587 31.3006 178.4045 102 L 3.8385 8.2797 120.0145 57.7465 41.8150 178.9584 103 W 4.5279 7.7886 118.4662 59.4465 29.1112 178.3858 104 E 4.0667 8.1949 118.7818 59.3942 28.9819 179.3955 105 K 4.0223 8.1938 118.5306 59.3940 32.1275 179.1577 106 L 4.0374 8.3338 120.9951 58.2053 41.9962 179.2501 107 V 3.7602 8.2578 118.4347 66.1971 31.5197 177.4658 108 H 4.1633 8.5002 118.0499 59.6379 29.7063 176.5928 109 H 4.1213 8.4342 119.9922 59.4774 29.7781 177.2005 110 L 3.9275 8.1631 120.6368 57.5685 41.4521 179.0262 111 Y 3.6539 8.2904 117.0380 61.3442 37.9929 178.3167 112 T 3.8103 8.0013 116.4170 66.8726 68.1558 175.9783 113 Q 3.8460 8.1067 120.9708 59.5911 29.1262 179.2746 114 A 4.0386 7.7593 120.7213 55.0077 18.5240 179.5007 115 A 3.9784 7.9531 119.2460 55.3727 18.2772 179.7166 116 Q 4.1464 7.9649 114.7509 57.8431 28.8417 177.6114 117 Q 4.5037 7.3455 117.0089 54.3190 30.3746 175.3794 118 G 3.8581 7.7978 107.0514 46.9313 0.0000 173.6481 119 E 4.2613 8.4125 118.5164 58.0534 32.9980 177.5672 *120 L 4.1415 7.8727 121.5844 54.4176 41.6744 178.2610 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 E 8.30 4.17 0.00 1.97 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 2.18 2.31 0.00 3 K 7.84 3.68 0.00 1.86 1.78 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 4 K 8.17 3.80 0.00 1.74 1.71 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 5 K 7.44 3.52 0.00 1.58 1.27 0.00 1.40 0.00 0.00 1.62 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.18 0.31 7.81 6 V 7.14 2.99 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 1.09 0.00 0.00 0.84 0.00 0.00 7 A 7.74 3.90 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 8 E 7.65 3.85 0.00 1.88 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 2.42 2.39 0.00 9 W 7.87 4.56 0.00 3.63 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 10 L 8.29 4.08 0.00 1.87 1.95 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.70 4.50 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 12 Q 7.83 3.93 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 13 G 9.03 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 0.00 0.00 0.00 0.00 14 S 7.91 4.62 0.00 3.93 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 15 I 8.06 4.18 1.84 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 1.33 0.48 0.91 0.00 0.00 16 A 8.58 4.08 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 17 V 8.17 4.20 2.11 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 0.89 0.00 0.00 0.94 0.00 0.00 18 P 0.00 4.37 0.00 2.39 2.02 0.00 3.98 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 19 K 8.74 4.11 0.00 1.84 1.91 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.57 7.81 20 L 7.90 4.22 0.00 1.74 1.85 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.05 4.22 0.00 2.10 2.02 0.90 0.44 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 22 L 7.90 4.23 0.00 1.88 1.97 0.95 1.13 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 23 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 24 H 8.35 4.83 0.00 3.34 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.16 4.21 0.00 3.19 3.33 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 26 K 6.96 3.86 0.00 1.23 1.46 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.39 7.81 27 Q 7.76 4.01 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 28 L 7.22 4.34 0.00 1.81 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.06 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 30 L 7.90 4.74 0.00 2.03 1.68 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.17 4.08 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 0.00 0.00 0.00 32 E 8.83 3.87 0.00 2.07 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 2.45 2.49 0.00 33 G 7.99 3.55 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 0.00 0.00 0.00 34 E 8.01 3.89 0.00 2.15 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 2.35 2.33 0.00 35 L 7.89 3.66 0.00 1.21 1.43 0.70 0.24 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 36 V 7.89 3.44 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 0.84 0.00 0.00 0.85 0.00 0.00 37 L 7.66 3.94 0.00 1.95 1.82 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.99 3.86 0.00 1.80 1.58 0.75 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.79 3.89 0.00 1.65 1.60 0.82 1.00 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 40 H 8.39 4.15 0.00 3.31 3.41 0.00 5.65 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 41 M 8.26 3.89 0.00 1.52 1.96 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 42 Q 7.98 3.64 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 43 S 7.90 4.05 0.00 3.85 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 44 F 8.28 4.05 0.00 3.29 3.42 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 45 F 8.49 4.69 0.00 3.28 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 46 E 8.60 4.28 0.00 1.98 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 0.00 2.45 2.60 0.00 47 E 7.85 4.59 0.00 2.15 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 0.00 2.24 2.63 0.00 48 G 8.42 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 49 V 7.91 4.17 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 0.85 0.00 0.00 1.25 0.00 0.00 50 L 8.50 4.71 0.00 1.80 1.66 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.94 5.56 0.00 2.93 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 52 P 0.00 4.32 0.00 1.42 0.62 0.00 4.20 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 53 T 8.33 3.97 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 1.12 0.00 0.00 54 P 0.00 4.12 0.00 2.12 2.28 0.00 3.50 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 55 A 7.85 4.02 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 56 E 7.81 3.91 0.00 1.93 1.65 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 2.33 2.28 0.00 57 L 8.07 4.20 0.00 1.57 1.67 0.76 0.72 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 58 A 8.17 4.08 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 59 E 7.86 3.90 0.00 2.19 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 2.35 2.41 0.00 60 R 7.45 4.47 0.00 1.63 1.74 0.00 3.09 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 61 M 7.72 4.81 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.40 0.00 62 T 8.25 4.20 4.23 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 1.20 0.00 0.00 63 V 7.34 4.04 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 0.73 0.00 0.00 0.91 0.00 0.00 64 S 8.27 4.38 0.00 4.03 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 65 A 8.62 3.92 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 66 A 7.92 3.90 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 67 E 8.24 3.93 0.00 2.06 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 0.00 2.28 2.29 0.00 68 C 8.31 4.08 0.00 2.98 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 69 M 8.35 3.97 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 70 E 8.24 3.96 0.00 2.15 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 2.48 2.49 0.00 71 M 7.95 4.02 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.52 0.00 72 V 8.01 3.44 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 1.02 0.00 0.00 0.82 0.00 0.00 73 R 7.97 3.90 0.00 2.11 2.04 0.00 3.16 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 1.73 0.00 74 R 8.40 3.92 0.00 1.95 1.96 0.00 3.17 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 1.65 1.67 0.00 75 L 7.97 3.93 0.00 1.82 1.66 0.82 0.55 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 76 L 8.16 4.18 0.00 1.86 1.78 1.06 1.12 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 77 Q 8.08 4.00 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 78 K 8.31 4.08 0.00 1.73 1.85 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 79 G 8.19 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 80 M 8.26 4.26 0.00 1.91 2.07 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 2.54 2.58 0.00 81 I 7.47 5.03 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.86 0.00 0.00 82 A 9.06 4.97 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 83 I 8.40 4.88 1.88 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 0.76 0.00 0.00 84 E 9.01 4.60 0.00 1.82 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 2.21 0.00 *85 E 8.43 4.22 0.00 1.73 1.76 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 2.13 2.37 0.00 *95 E 8.43 3.92 0.00 1.86 1.90 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 1.97 2.11 0.00 96 K 7.32 4.58 0.00 1.71 1.74 0.00 1.16 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.17 1.32 7.81 97 Y 8.63 5.12 0.00 3.45 3.21 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 98 T 8.93 4.80 4.27 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 1.29 0.00 0.00 99 L 9.35 4.41 0.00 2.10 1.53 1.07 1.02 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 0.00 100 E 8.33 4.06 0.00 2.15 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 2.47 2.52 0.00 101 P 0.00 4.35 0.00 2.33 2.09 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 102 L 8.28 3.84 0.00 1.64 1.26 0.69 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 103 W 7.79 4.53 0.00 3.51 3.22 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 0.00 104 E 8.19 4.07 0.00 2.17 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 0.00 2.42 2.62 0.00 105 K 8.19 4.02 0.00 1.96 1.88 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.58 7.81 106 L 8.33 4.04 0.00 1.88 2.06 1.07 1.10 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 0.00 107 V 8.26 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 1.25 0.00 0.00 1.12 0.00 0.00 108 H 8.50 4.16 0.00 3.35 3.49 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.43 4.12 0.00 3.37 3.60 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.16 3.93 0.00 2.00 1.61 0.75 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.29 3.65 0.00 3.36 3.04 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 0.00 112 T 8.00 3.81 4.33 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 1.20 0.00 0.00 113 Q 8.11 3.85 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 114 A 7.76 4.04 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 0.00 115 A 7.95 3.98 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 0.00 116 Q 7.96 4.15 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 117 Q 7.35 4.50 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 118 G 7.80 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 0.00 119 E 8.41 4.26 0.00 1.90 1.90 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 2.20 2.19 0.00 *120 L 7.87 4.14 0.00 1.41 1.48 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.