NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7421 8.2833 118.1253 54.3787 41.9358 177.4031 5 I 2.5675 7.1649 109.6719 59.6671 38.5392 175.0735 6 N 4.1816 10.1958 125.3188 58.0116 39.8395 173.9706 7 E 3.9625 8.1865 119.3401 59.2476 29.5826 178.9543 8 S 4.0783 8.6385 114.4947 61.9674 62.7331 176.2912 9 E 3.9317 8.4337 122.1671 59.5152 29.2836 179.4759 10 I 3.7039 7.6950 112.3692 63.9858 37.6930 177.9694 11 I 3.7504 8.0981 120.4968 63.1930 37.8270 177.4915 12 E 3.8586 8.3667 120.8124 59.3320 29.3047 178.4612 13 R 3.8627 8.0003 117.6168 59.7826 30.1780 178.0303 14 L 4.0645 7.9783 118.4697 57.5888 41.3993 178.6935 15 N 4.3016 8.4863 115.8406 57.2017 38.6230 177.4083 16 S 3.9638 7.8820 115.0607 61.2617 63.1563 175.2922 17 A 4.0863 7.5202 123.7162 51.8424 18.2681 175.5175 18 P 4.4122 0.0000 0.0000 64.9582 31.6685 176.8828 19 S 4.8778 7.6657 111.2548 55.5360 67.3127 175.0077 20 V 3.7461 8.0800 119.7403 66.3084 31.2722 177.7076 21 R 4.1878 8.2089 117.4103 59.3066 29.9335 179.0121 22 G 3.6747 8.0656 105.1871 47.9511 0.0000 174.9670 23 F 4.0075 9.2897 124.9346 61.2626 39.3513 177.1643 24 F 3.9714 8.9921 117.3126 60.5786 38.7621 177.7946 25 I 3.7020 8.0626 119.1318 64.5162 36.8965 178.3960 26 A 3.9111 7.8660 121.3431 55.0597 18.0350 179.5957 27 T 3.3725 7.4052 111.8346 65.0190 67.2810 177.1755 28 V 3.8044 7.7151 114.4191 64.3174 31.5528 178.0392 29 D 4.4177 8.0873 118.7273 57.4682 40.8428 178.9035 30 V 3.4803 7.7183 118.6924 66.2233 31.4499 177.8897 31 F 4.5073 8.0477 117.5739 60.6707 38.7905 176.8574 32 N 4.2742 8.9418 117.3406 57.2194 38.5650 176.6577 33 E 4.0108 8.2801 119.4953 59.4234 29.1161 179.3585 34 S 4.2178 8.0469 113.2427 60.9109 62.4937 175.8821 35 I 4.0771 8.4408 115.8207 63.1394 37.5883 177.4143 36 D 4.5045 8.4006 119.9042 56.6514 40.7636 178.0702 37 G 3.6415 7.6613 105.5133 46.9795 0.0000 175.4050 38 L 4.1857 7.3502 123.0254 58.0540 42.4428 178.5066 39 I 3.7890 8.3967 120.1268 65.0759 36.9362 178.2553 40 Q 4.1896 7.7613 117.0428 58.3791 28.6361 177.9762 41 R 4.1486 8.7988 119.7453 57.6703 30.2736 176.5635 42 I 4.0753 7.4516 109.7545 61.1561 39.1126 175.4576 43 F 4.2863 8.1097 119.8970 55.6699 39.0857 174.3762 44 R 3.8991 8.8013 124.8850 56.1428 28.3028 177.9369 45 K 4.6685 7.5868 124.4720 58.8067 32.3526 175.8585 46 D 4.7463 7.9468 115.9838 55.1002 43.5636 176.3653 47 N 4.1814 8.0233 113.5368 54.0969 39.6836 175.9775 48 F 3.8379 9.1298 124.0246 60.1333 38.2694 177.2276 49 A 4.0060 8.2505 120.1777 55.6989 18.1186 179.8475 50 V 3.7274 7.6651 115.7035 65.9717 31.7040 177.8582 51 Q 3.8865 8.6181 119.8339 58.8183 28.5904 177.8639 52 S 4.3024 7.9000 113.5025 60.5832 62.3131 175.5765 53 V 3.9681 6.8009 116.5898 65.0514 32.1831 177.7164 54 V 3.6524 7.8123 118.1159 65.7812 31.3333 177.7604 55 G 3.7434 8.3319 105.7866 47.8550 0.0000 173.6005 56 P 5.0035 0.0000 0.0000 64.3803 31.3983 178.4627 57 L 3.9403 7.7295 118.4846 57.1242 41.7877 177.9767 58 L 4.5202 7.3804 116.1136 53.9955 43.6995 176.1930 59 Q 4.1078 7.9940 117.7915 55.8111 28.8204 177.2155 60 D 4.3574 8.9042 118.0453 58.0008 40.7107 179.6112 61 S 4.2882 8.0071 111.4879 59.9299 63.3216 174.8789 62 G 3.9810 8.3083 110.4372 43.1379 0.0000 173.0683 63 P 4.2733 0.0000 0.0000 64.9575 31.1245 177.0655 64 L 4.7251 7.7376 118.0310 54.3014 42.1687 178.1887 65 G 3.8192 8.0362 109.8915 47.4638 0.0000 175.3973 66 D 4.5220 8.0115 120.2504 53.0339 42.6075 176.0918 67 L 3.8836 8.6110 128.9227 58.5454 42.1645 179.0275 68 S 4.0556 8.3797 112.1166 61.4529 62.4293 175.6884 69 V 3.6464 7.8009 120.4552 66.5278 31.3093 178.1058 70 R 3.9797 8.4598 117.7378 59.2162 29.8425 179.1277 71 L 4.0844 8.1889 118.8221 57.8767 41.6618 179.3518 72 K 3.8940 8.2745 118.4050 60.0733 31.9743 178.3631 73 L 4.0603 8.2553 120.1524 58.3167 41.8598 178.6702 74 L 3.9264 8.2298 117.9415 58.0113 41.7390 179.6991 75 F 4.3123 8.8506 120.7505 61.3501 39.1796 177.1854 76 G 3.4975 8.3315 104.9327 47.7658 0.0000 174.4144 77 L 4.2288 8.3183 119.3469 54.4739 42.0218 176.6919 78 G 3.7925 7.8793 105.2903 47.3177 0.0000 175.1359 79 V 4.0515 8.1899 121.2209 63.4707 32.6923 176.1736 80 L 4.5898 7.6394 118.0291 52.8971 43.0215 175.2950 81 P 4.5543 0.0000 0.0000 62.0903 33.3124 177.1435 82 D 4.3171 8.9105 121.3778 58.2314 40.7077 179.5520 83 D 4.0819 8.0490 118.1995 57.3164 40.7989 178.8131 84 I 3.7601 7.6064 119.8947 63.9500 37.2408 177.5053 85 Y 3.8592 7.8347 120.5642 60.9418 38.5357 177.9926 86 H 3.8299 7.9766 117.0942 58.7579 28.7515 177.3816 87 D 4.3033 7.6769 120.5737 57.5218 40.6576 178.7533 88 I 3.3015 7.3517 119.9196 64.5945 37.1124 178.3152 89 E 3.7894 7.7750 119.0585 59.4979 29.1513 179.2849 90 D 4.3426 8.3048 119.3510 57.2757 40.8047 178.8923 91 I 3.9390 8.0460 120.5896 64.2636 37.1416 178.4240 92 I 3.7563 8.1622 121.1884 64.4139 36.9833 178.4351 93 K 3.8518 8.0671 120.3664 59.0770 31.9315 178.7134 94 L 3.7691 7.7748 120.8212 57.8820 42.0620 178.6066 95 K 3.7968 8.0746 119.6577 59.7617 32.0282 178.2857 96 N 4.3131 8.2491 116.4867 56.5794 38.2274 176.6996 97 H 4.1569 7.6722 116.3557 59.3078 29.1137 177.4123 98 L 4.2097 7.9183 120.2345 57.9170 41.2875 179.3545 99 N 4.4553 8.5537 115.4084 55.7897 38.5083 176.8451 100 S 4.4179 8.0634 115.1903 58.4253 63.4624 173.3041 101 D 4.8100 7.7109 122.1255 52.3697 42.1770 176.2150 102 A 4.1504 8.5772 129.1929 54.4106 18.9680 177.7195 103 S 4.3923 8.5453 111.9465 57.6862 63.9103 173.8918 104 D 4.4793 7.9398 123.0895 53.8705 41.6599 174.9900 105 Y 4.9455 7.9882 117.8142 56.4171 42.1748 174.2849 106 E 4.7715 8.9093 118.6903 54.4487 32.8871 177.7182 107 F 4.4418 8.7324 119.5482 60.4976 39.0789 176.6347 108 T 4.2760 7.9535 108.5004 62.3278 69.4654 174.1997 109 D 4.8009 8.3238 124.1273 52.8477 42.3781 175.4356 110 P 4.2954 0.0000 0.0000 65.7759 31.1440 177.8794 111 N 4.5544 7.8028 111.5989 53.4390 37.8668 175.3410 112 I 4.1610 7.8577 121.6215 63.2197 38.7197 177.3329 113 L 4.0122 7.8675 119.0935 58.1249 42.2386 178.2301 114 E 4.0434 8.1842 119.0526 58.8907 29.7602 176.6518 115 P 4.2342 0.0000 0.0000 65.8758 31.0502 178.3403 116 I 4.0317 7.7782 110.5517 63.1486 37.3518 178.1921 117 K 3.9338 7.8138 120.3795 59.2623 32.0117 179.0294 118 K 4.1567 7.8792 117.7334 57.7236 32.4507 177.7861 119 L 4.1479 7.0904 120.2682 55.0746 42.2796 177.3510 120 H 4.0518 9.0967 121.5103 59.4427 28.5173 177.8146 121 L 4.1584 7.6465 117.6823 57.3452 41.5582 179.3153 122 V 3.9023 7.6035 110.8203 63.2075 31.7001 178.1240 123 K 4.2207 7.8407 117.4849 58.6278 32.0557 178.1081 124 K 4.2900 7.6227 117.5948 58.8880 32.3655 177.2118 *126 G 3.7131 8.0372 105.1712 45.0651 0.0000 172.3398 *128 V 3.8521 8.1125 119.4054 62.8833 32.4919 175.5426 129 Q 4.5003 8.1449 125.5435 54.3972 32.0390 173.4620 130 L 4.2549 8.3654 126.5932 53.9518 42.9353 176.1649 131 E 3.9082 8.8341 124.9376 57.1569 29.8388 177.6217 132 V 4.0146 8.0847 115.9088 60.2866 32.7391 175.5871 133 N 4.5096 8.6522 118.6921 53.7837 38.9163 174.8019 134 E 4.7666 9.0036 122.5743 53.2257 32.8604 173.8154 135 P 4.3945 0.0000 0.0000 64.7139 31.5672 175.3845 136 D 4.3862 8.6155 119.0249 55.2113 38.6381 173.4950 137 D 4.8291 7.4418 118.4709 52.0565 41.6145 175.6406 138 D 4.4900 8.5093 117.5959 56.9092 41.0676 177.3790 139 I 3.8249 7.7220 120.8198 61.4316 37.6344 175.1845 140 D 4.7801 8.7391 124.5119 53.5493 42.2277 176.9706 141 L 4.3482 8.3941 124.4687 56.8959 41.5595 179.3457 142 E 3.8307 7.7038 116.9954 59.0917 29.7173 178.4892 143 F 4.6189 7.6550 116.5695 58.2506 39.1678 176.7814 144 Y 4.3248 7.6015 120.4831 60.9917 38.3698 178.1632 145 Q 3.1097 7.5989 119.3561 58.7712 29.5510 177.4432 146 L 3.8962 7.7879 120.8224 58.1428 42.0756 178.5646 147 Q 3.9504 8.5705 120.1187 58.8928 29.0237 177.8549 148 L 4.0752 7.4690 121.2893 58.2996 42.1207 178.8189 149 Q 4.0078 8.1571 118.0858 59.1549 28.7322 179.1170 150 R 3.9047 7.8217 119.2817 59.2340 30.0949 178.3741 151 Q 4.0049 8.2058 118.0473 59.0900 28.6528 179.0142 152 Q 3.9865 7.8998 118.2660 59.2241 29.0087 178.6803 153 Q 3.8551 8.1489 120.2730 59.0353 28.9071 178.7948 154 I 3.6247 7.4353 120.4444 64.3059 37.2873 178.0182 155 I 3.5764 7.5053 120.5836 64.5198 37.0184 178.4212 156 K 2.7182 7.6984 120.4082 58.9946 31.7618 178.7975 157 S 4.1097 7.7478 113.2590 60.9019 62.3186 176.2177 158 G 3.6057 7.9742 108.5856 47.8461 0.0000 175.3055 159 L 4.0187 7.7929 123.1080 57.9605 41.9362 179.3112 160 S 4.2263 8.0502 115.1118 61.5480 62.7705 176.6162 161 L 3.9829 8.1140 121.5081 57.5490 41.1705 179.2835 162 A 3.9787 7.9731 120.8257 55.0612 18.3991 179.3401 163 I 3.7995 7.7853 117.9343 64.9164 37.2988 178.5919 164 V 3.6056 8.1185 118.9248 66.0293 31.2897 177.6823 165 E 3.9747 8.2324 119.0815 59.2472 29.5097 178.7833 166 I 3.7585 8.1202 120.2786 64.7684 37.0747 178.2777 167 C 4.3355 8.3503 117.5246 62.7677 27.7032 175.7908 168 N 4.3593 8.0646 117.5548 56.2863 38.4457 177.0180 169 E 4.1438 8.1336 119.9936 59.3679 29.4917 179.1707 170 L 4.2223 7.9225 117.4883 57.1287 41.6630 179.0995 171 G 3.8438 7.4902 105.0141 46.4715 0.0000 173.8840 172 K 4.1986 7.7936 123.8084 56.6172 32.0494 176.6594 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 4 N 8.28 4.74 0.00 2.77 2.92 0.00 0.00 7.05 6.39 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 5 I 7.16 2.57 1.87 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 1.52 0.21 0.96 0.00 0.00 6 N 10.20 4.18 0.00 2.82 2.85 0.00 0.00 6.90 7.65 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 7 E 8.19 3.96 0.00 2.17 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 2.40 2.37 0.00 8 S 8.64 4.08 0.00 4.00 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 9 E 8.43 3.93 0.00 2.22 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 2.32 2.47 0.00 10 I 7.70 3.70 1.79 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 1.56 0.75 0.91 0.00 0.00 11 I 8.10 3.75 1.85 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 1.40 1.80 0.95 0.00 0.00 12 E 8.37 3.86 0.00 2.17 2.22 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 2.30 2.35 0.00 13 R 8.00 3.86 0.00 1.90 2.11 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 14 L 7.98 4.06 0.00 1.76 1.78 0.79 -0.01 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 15 N 8.49 4.30 0.00 2.94 2.89 0.00 0.00 7.07 7.46 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 16 S 7.88 3.96 0.00 4.12 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 17 A 7.52 4.09 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 18 P 0.00 4.41 0.00 2.09 2.15 0.00 3.67 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 2.05 2.09 0.00 19 S 7.67 4.88 0.00 4.02 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 20 V 8.08 3.75 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 1.07 0.00 0.00 0.45 0.00 0.00 21 R 8.21 4.19 0.00 1.94 2.04 0.00 3.22 0.00 0.00 3.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 22 G 8.07 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.29 4.01 0.00 3.22 3.34 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 24 F 8.99 3.97 0.00 3.29 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 25 I 8.06 3.70 2.04 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 1.49 1.03 0.91 0.00 0.00 26 A 7.87 3.91 1.18 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 0.00 0.00 27 T 7.41 3.37 3.60 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 0.15 0.00 0.00 28 V 7.72 3.80 2.20 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 1.01 0.00 0.00 0.97 0.00 0.00 29 D 8.09 4.42 0.00 2.82 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 30 V 7.72 3.48 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 0.75 0.00 0.00 0.78 0.00 0.00 31 F 8.05 4.51 0.00 3.25 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 32 N 8.94 4.27 0.00 3.01 3.00 0.00 0.00 7.27 6.31 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 33 E 8.28 4.01 0.00 2.26 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 2.33 2.32 0.00 34 S 8.05 4.22 0.00 4.12 4.09 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 0.00 0.00 0.00 0.00 35 I 8.44 4.08 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.93 0.00 0.00 36 D 8.40 4.50 0.00 2.87 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 37 G 7.66 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 0.00 0.00 0.00 38 L 7.35 4.19 0.00 1.93 1.91 0.94 1.03 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 39 I 8.40 3.79 2.00 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 1.60 1.08 0.95 0.00 0.00 40 Q 7.76 4.19 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 41 R 8.80 4.15 0.00 1.94 2.03 0.00 3.23 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 42 I 7.45 4.08 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.14 0.97 0.00 0.00 43 F 8.11 4.29 0.00 3.08 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 44 R 8.80 3.90 0.00 1.97 2.15 0.00 3.16 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 45 K 7.59 4.67 0.00 1.80 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.76 7.81 46 D 7.95 4.75 0.00 2.60 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.02 4.18 0.00 2.89 2.85 0.00 0.00 6.94 8.13 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 48 F 9.13 3.84 0.00 3.15 3.16 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 0.00 0.00 0.00 0.00 49 A 8.25 4.01 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 50 V 7.67 3.73 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 1.07 0.00 0.00 0.95 0.00 0.00 51 Q 8.62 3.89 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 52 S 7.90 4.30 0.00 3.95 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 53 V 6.80 3.97 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 0.88 0.00 0.00 0.94 0.00 0.00 54 V 7.81 3.65 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 0.59 0.00 0.00 1.09 0.00 0.00 55 G 8.33 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 56 P 0.00 5.00 0.00 2.13 2.09 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 57 L 7.73 3.94 0.00 1.85 1.47 0.86 0.59 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 58 L 7.38 4.52 0.00 1.58 1.51 0.61 0.39 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 59 Q 7.99 4.11 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 60 D 8.90 4.36 0.00 2.72 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 61 S 8.01 4.29 0.00 3.85 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 62 G 8.31 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 0.00 0.00 0.00 63 P 0.00 4.27 0.00 2.18 2.21 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 64 L 7.74 4.73 0.00 1.68 1.67 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.04 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 0.00 0.00 0.00 66 D 8.01 4.52 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.61 3.88 0.00 1.78 1.71 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.38 4.06 0.00 3.94 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 69 V 7.80 3.65 2.23 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 1.13 0.00 0.00 0.99 0.00 0.00 70 R 8.46 3.98 0.00 2.01 2.03 0.00 3.37 0.00 0.00 3.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 71 L 8.19 4.08 0.00 2.09 2.03 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.27 3.89 0.00 2.10 1.93 0.00 1.93 0.00 0.00 1.65 0.00 0.00 3.31 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.73 7.81 73 L 8.26 4.06 0.00 1.80 1.87 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.23 3.93 0.00 2.10 1.81 0.96 0.90 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 75 F 8.85 4.31 0.00 2.76 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 76 G 8.33 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.23 0.00 1.82 1.63 0.87 1.25 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 78 G 7.88 3.79 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 0.00 0.00 0.00 79 V 8.19 4.05 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 0.84 0.00 0.00 0.90 0.00 0.00 80 L 7.64 4.59 0.00 1.83 1.71 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.55 0.00 2.18 2.00 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 82 D 8.91 4.32 0.00 2.80 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 83 D 8.05 4.08 0.00 2.72 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 84 I 7.61 3.76 1.95 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 1.50 0.62 0.82 0.00 0.00 85 Y 7.83 3.86 0.00 2.65 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 0.00 0.00 0.00 0.00 86 H 7.98 3.83 0.00 3.11 3.25 0.00 5.68 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 87 D 7.68 4.30 0.00 2.67 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 88 I 7.35 3.30 1.49 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 0.41 0.43 0.41 0.00 0.00 89 E 7.78 3.79 0.00 1.65 1.74 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 1.56 1.47 0.00 90 D 8.30 4.34 0.00 2.83 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 91 I 8.05 3.94 2.24 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.81 1.30 0.00 0.00 92 I 8.16 3.76 1.97 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 1.49 0.83 0.92 0.00 0.00 93 K 8.07 3.85 0.00 1.85 1.90 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.30 7.81 94 L 7.77 3.77 0.00 1.80 1.61 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.07 3.80 0.00 2.02 2.04 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.61 7.81 96 N 8.25 4.31 0.00 2.71 2.83 0.00 0.00 7.04 7.72 0.00 0.00 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 H 7.67 4.16 0.00 3.27 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.92 4.21 0.00 1.82 1.75 0.66 0.74 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 N 8.55 4.46 0.00 2.80 2.91 0.00 0.00 7.09 7.60 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 0.00 100 S 8.06 4.42 0.00 4.03 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 0.00 101 D 7.71 4.81 0.00 2.87 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 0.00 102 A 8.58 4.15 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 0.00 103 S 8.55 4.39 0.00 3.54 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0.00 130 L 8.37 4.25 0.00 1.63 1.55 0.91 0.93 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 0.00 131 E 8.83 3.91 0.00 2.00 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 2.33 2.37 0.00 132 V 8.08 4.01 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 0.73 0.00 0.00 1.03 0.00 0.00 133 N 8.65 4.51 0.00 2.83 2.85 0.00 0.00 6.65 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 0.00 134 E 9.00 4.77 0.00 1.98 1.80 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 2.41 2.36 0.00 135 P 0.00 4.39 0.00 2.16 2.05 0.00 3.91 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 1.99 1.99 0.00 136 D 8.62 4.39 0.00 2.78 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 0.00 137 D 7.44 4.83 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.51 4.49 0.00 2.71 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 0.00 139 I 7.72 3.82 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 1.08 0.00 0.00 140 D 8.74 4.78 0.00 2.87 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 0.00 141 L 8.39 4.35 0.00 1.72 1.70 0.89 0.70 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 0.00 142 E 7.70 3.83 0.00 1.69 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 2.11 1.47 0.00 143 F 7.66 4.62 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 144 Y 7.60 4.32 0.00 3.11 3.28 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 0.00 145 Q 7.60 3.11 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 146 L 7.79 3.90 0.00 1.76 1.72 0.92 0.56 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 0.00 147 Q 8.57 3.95 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 148 L 7.47 4.08 0.00 1.64 1.66 0.94 1.15 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 0.00 149 Q 8.16 4.01 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 150 R 7.82 3.90 0.00 2.08 2.10 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 151 Q 8.21 4.00 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 152 Q 7.90 3.99 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 153 Q 8.15 3.86 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 154 I 7.44 3.62 1.95 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 1.48 0.70 0.86 0.00 0.00 155 I 7.51 3.58 1.91 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 1.39 0.94 0.91 0.00 0.00 156 K 7.70 2.72 0.00 0.79 1.22 0.00 1.49 0.00 0.00 1.33 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.97 0.21 7.81 157 S 7.75 4.11 0.00 3.87 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 0.00 158 G 7.97 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 0.00 159 L 7.79 4.02 0.00 1.72 1.70 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.05 4.23 0.00 4.07 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 0.00 161 L 8.11 3.98 0.00 1.86 1.72 0.94 0.59 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 0.00 162 A 7.97 3.98 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 0.00 163 I 7.79 3.80 1.99 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 1.51 0.83 0.47 0.00 0.00 164 V 8.12 3.61 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 1.00 0.00 0.00 0.97 0.00 0.00 165 E 8.23 3.97 0.00 2.26 2.17 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 2.33 2.42 0.00 166 I 8.12 3.76 2.31 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 1.54 0.81 0.87 0.00 0.00 167 C 8.35 4.34 0.00 3.04 3.03 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 0.00 168 N 8.06 4.36 0.00 2.95 2.91 0.00 0.00 7.07 7.82 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 0.00 169 E 8.13 4.14 0.00 2.19 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 2.35 2.51 0.00 170 L 7.92 4.22 0.00 1.84 1.78 0.91 0.87 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 0.00 171 G 7.49 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 172 K 7.79 4.20 0.00 1.88 1.75 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.65 7.81 * Residues marked with a * may have inaccurate shift predictions.