NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6046 8.4645 120.5330 53.7387 41.7299 177.1328 6 K 4.1811 7.9546 124.3239 58.5696 32.0799 183.3718 7 I 3.8411 8.3695 121.7763 65.2308 36.0787 179.9983 8 L 4.3069 8.1369 120.7736 57.7714 41.2526 180.0157 9 G 3.6647 8.1633 107.5083 48.4524 0.0000 176.7240 10 V 3.7325 7.3984 120.9688 65.2094 31.6100 180.1150 11 A 3.9727 8.3171 121.5016 55.2281 18.2248 179.1054 12 K 4.1567 8.0492 117.7426 60.1405 32.0952 177.9129 13 E 3.9884 8.2308 121.2874 60.0239 29.5525 179.7107 14 L 3.9216 8.3707 122.2184 59.6987 40.8337 180.8853 15 F 4.7126 8.6016 118.8175 60.5441 38.8777 177.7224 16 I 4.0626 8.2694 121.4883 64.6574 37.1103 178.9410 17 K 4.1938 8.3063 123.7635 59.1552 31.9465 177.9641 18 N 5.2487 8.2164 115.5045 50.4405 41.4125 174.3879 19 G 4.1795 8.1233 106.7278 44.1153 0.0000 173.5008 20 Y 4.4677 8.7414 119.8679 60.8890 38.8618 177.3124 21 N 4.2971 8.0498 115.7718 56.2383 38.8065 177.1041 22 A 4.0609 7.9466 120.7902 54.0191 18.9395 177.8922 23 T 4.0993 6.8721 106.3033 61.2954 70.0819 174.5140 24 T 4.5773 7.7100 116.2573 59.6413 72.0254 174.7198 25 T 3.9141 8.4675 121.2421 66.7767 68.3646 177.0531 26 G 3.5904 8.0277 109.4307 48.5653 0.0000 176.2797 27 E 4.0140 8.2483 123.3356 61.2154 29.7462 181.6465 28 I 3.9169 8.0466 123.0497 65.7678 35.6207 182.1698 29 V 3.8967 7.6110 124.2685 66.3509 31.3295 181.0831 30 K 4.2800 8.1202 126.1999 60.1921 31.6348 181.3797 31 L 4.4428 7.7536 124.7119 59.7033 40.9643 181.6112 32 S 4.5099 7.8772 116.9006 60.2894 63.6574 176.1507 33 E 3.8030 8.3214 122.4258 57.4253 26.0354 173.4101 34 S 4.5904 7.5415 118.5865 57.1405 66.8777 175.4234 35 S 4.4513 8.5184 116.6419 59.6951 62.5792 173.8661 36 K 3.9948 8.8402 126.3325 57.1368 31.8170 178.5327 37 G 3.5045 8.2787 110.0945 48.8306 0.0000 174.8348 38 N 4.2777 7.7020 119.0075 55.7469 38.0278 179.2118 39 L 4.5308 7.2133 121.4846 53.1574 39.8525 179.8508 *40 Y 4.3916 7.1271 118.3617 54.8963 40.2997 176.8924 *45 T 4.2598 8.1913 119.1773 60.5720 69.6957 174.2451 46 K 4.1298 8.4487 124.2444 59.5144 32.3369 178.6176 47 E 4.1827 8.4860 118.0125 59.4466 29.4022 178.8020 48 N 4.3487 8.0784 117.6750 56.4335 39.1664 176.4954 49 L 4.0316 7.9363 121.3913 57.9695 42.1198 178.7491 50 F 3.7908 8.5645 120.8000 61.3378 39.4756 177.1216 51 L 3.6326 7.8447 118.4703 57.4870 41.2703 179.3839 52 E 3.8226 7.9260 118.8683 59.4310 29.5961 178.8727 53 I 3.6175 7.4791 119.7660 64.3006 37.0094 178.4532 54 L 3.7344 7.5279 119.8468 57.5045 41.3503 179.0227 55 N 4.1985 7.8104 116.3861 56.7703 38.8808 176.5187 56 I 3.6498 7.7053 121.1264 64.8452 37.2999 178.2092 57 E 4.0007 8.4811 119.2023 59.4928 29.4160 179.1267 58 E 3.8660 8.5879 119.6402 59.1508 29.4861 179.2204 59 S 4.0588 8.2041 115.3899 61.5500 63.1095 176.6176 60 K 3.6070 8.0803 121.2182 58.8772 31.5523 179.2817 61 W 4.5127 8.1864 128.6573 60.7434 30.7153 178.1302 62 Q 3.9253 7.9595 119.1297 58.5786 28.3809 177.8473 63 E 3.7883 8.3951 121.1336 59.3165 29.5725 178.2027 64 Q 3.9933 7.6336 118.0696 59.1695 29.3030 178.1408 65 W 4.2913 8.2934 129.4505 60.3570 30.6633 178.1874 66 K 3.8007 7.4205 119.6882 58.5831 31.2709 178.8285 67 K 4.3526 7.6551 114.8978 57.0786 31.6675 177.3043 68 E 4.6093 7.4807 117.1213 55.8090 32.0036 177.8816 69 Q 3.3446 7.8672 119.8687 58.7785 28.7166 178.9423 70 I 3.6594 7.5343 115.9966 62.9329 35.3170 181.4622 71 K 4.1679 7.6354 115.1338 57.0394 31.6501 176.3991 72 A 4.6403 8.0398 125.9017 50.7665 20.3667 177.4969 73 K 4.1011 9.0818 125.0408 57.7867 32.3540 174.6806 74 T 4.6082 8.4422 110.7421 59.9924 72.0314 175.4394 75 N 4.4964 8.9733 119.6227 56.1713 38.3653 177.5873 76 R 4.4453 8.3348 120.4654 60.0959 30.1161 178.3885 77 E 4.1850 7.9643 117.2913 59.1247 29.4750 179.3171 78 K 4.3130 8.2421 118.7828 59.7581 32.2116 178.5189 79 F 4.1629 8.7509 120.7700 61.9378 39.1966 176.4421 80 Y 4.0181 8.4343 115.9758 61.2219 37.7405 179.0177 81 L 4.2923 8.2954 122.0865 57.9439 42.3968 177.9496 82 Y 3.6082 8.5217 119.8718 60.9044 38.2021 178.2205 83 N 4.2453 7.8677 115.8407 56.2039 38.4330 176.8648 84 E 4.0955 8.2949 120.0216 59.6804 29.6040 179.6366 85 L 4.2166 8.7637 120.8868 57.2574 41.4176 179.6071 86 S 3.1175 7.4389 114.5350 61.2527 62.5973 176.4506 87 L 3.8765 7.3234 120.6951 57.1726 41.3198 178.6917 88 T 4.1896 7.4501 108.6876 62.6968 69.5499 175.1149 89 T 3.8648 6.9232 117.5321 63.8159 69.1523 173.2516 90 E 4.3246 8.2606 119.3717 56.1259 30.1330 175.0839 91 Y 4.7863 7.3869 117.0561 57.7737 40.3545 173.9334 92 Y 3.7330 8.8831 129.9861 58.8748 38.4365 171.1867 93 Y 3.6780 7.3825 116.1602 60.3876 38.0715 176.3391 94 P 4.3354 0.0000 0.0000 63.9110 31.6957 177.0744 95 L 4.5130 7.5928 118.5987 54.5812 41.8010 178.1460 96 Q 3.6981 7.4918 121.2331 58.9765 28.7281 178.1410 97 N 4.2727 8.0183 116.8056 56.3512 38.6040 177.0691 98 A 4.0931 7.9727 121.5517 55.3014 18.4888 179.6238 99 I 3.6529 7.6719 118.3298 64.3212 36.7175 178.6593 100 I 3.8772 7.6689 120.8025 64.3734 36.8148 178.2249 101 E 4.0429 8.0191 120.1704 58.8573 29.1462 178.8255 102 F 3.2312 7.4558 119.1436 61.6031 39.2552 176.6116 103 Y 4.3962 7.6046 114.7275 61.1415 37.6088 178.5121 104 T 4.1665 7.8488 112.6925 65.5748 68.7684 176.7253 105 E 4.4572 8.3133 118.6244 56.5815 30.0322 177.3656 106 Y 4.2519 7.0061 117.1093 57.8811 42.1057 173.7979 *109 T 4.0736 8.2941 122.1269 63.1490 68.4140 172.1293 110 N 5.0746 8.5643 116.3794 54.8476 43.3383 173.2782 111 S 4.4278 8.2242 113.3073 59.7218 63.1089 176.4697 112 I 4.4287 8.0157 120.6344 64.4335 38.4937 178.3992 113 N 4.6278 8.5163 117.8765 55.5950 37.3910 178.1543 114 E 4.4135 8.2323 115.5617 58.6292 30.5652 182.9632 115 K 4.2972 8.1161 122.7425 59.8448 31.2132 181.9277 116 M 4.9486 8.3119 119.1439 56.4723 31.5791 178.2062 117 N 4.4633 8.0839 123.0136 57.1100 38.2201 181.1618 118 K 4.3784 7.9204 123.2341 59.8515 31.8837 184.3470 119 L 4.4118 7.9502 121.5599 58.9952 42.0861 179.4083 120 Q 4.2222 7.6826 120.4979 60.4522 28.2077 180.7695 121 N 4.6720 8.2618 118.8312 55.8930 38.2587 177.7716 122 K 3.9827 7.5245 118.0524 59.5716 32.1813 178.3266 123 Y 4.5126 8.0482 121.7593 61.6181 38.7066 178.9605 124 I 3.8021 8.3158 121.1960 64.7169 35.5512 179.3848 125 D 4.6062 8.0657 117.7076 57.3272 40.8088 177.9733 126 A 3.8793 7.4142 121.8460 55.5787 18.2761 179.2843 127 Y 3.7095 7.7396 114.3895 60.9218 38.0081 177.6850 128 H 4.3893 8.0964 120.4862 59.0696 29.9213 176.9378 129 V 3.5929 8.0603 119.9243 65.9474 31.3141 177.6047 130 I 3.7044 7.7044 119.0996 64.8889 37.2508 178.4098 131 F 4.7093 8.6506 118.5107 60.3839 38.8498 177.9299 132 K 4.0564 8.7021 119.8303 59.4135 31.9543 178.4052 133 E 4.0340 9.1583 120.3763 59.4324 29.6040 179.1400 134 G 3.2999 8.3499 105.5039 47.5819 0.0000 175.4852 135 N 4.7023 8.4736 121.0820 56.7726 38.3525 178.1066 136 L 4.0308 7.6707 122.7178 59.5043 41.2220 180.4021 137 N 4.6752 8.3194 116.0558 53.5815 38.8834 175.0661 138 G 3.8532 7.2803 106.3733 47.3000 0.0000 174.9530 139 E 3.9005 7.7252 121.6780 57.7989 29.6132 176.3898 140 W 4.7534 6.8412 113.1862 55.8602 30.4555 173.1913 141 S 4.7229 8.7638 112.1999 56.7193 63.4280 173.0399 142 I 4.3333 8.9599 130.2516 59.3371 38.0774 175.5750 143 N 4.4572 8.8341 124.4978 55.1278 38.4043 176.0349 144 D 4.7037 7.5839 119.9440 51.7296 39.0844 177.0417 145 V 3.4203 7.6885 122.9307 67.0949 32.0025 176.2318 146 N 4.2791 8.2363 115.7572 56.5429 38.6821 176.3808 147 A 3.8790 7.8696 121.6635 55.2345 18.6741 179.3219 148 V 3.4527 7.6705 116.4239 66.3105 31.3052 178.4087 149 S 4.2387 8.6659 114.9422 61.6902 62.7650 176.8390 150 K 3.9995 7.9494 121.0133 59.4128 31.7061 179.5173 151 I 3.6567 8.0858 120.0830 64.3322 37.1045 177.9435 152 A 3.4785 8.2532 121.5912 55.1062 18.0239 179.1014 153 A 3.4608 7.4178 118.8595 55.5024 18.2794 179.7197 154 N 4.3862 8.1248 114.1616 56.2746 38.6606 177.2654 155 A 3.9121 8.2052 122.6902 55.3471 18.3186 179.8653 156 V 3.1106 7.6120 116.1538 66.1742 31.6053 177.4404 157 N 4.4928 8.7216 117.2801 56.8813 38.5427 176.8870 158 G 3.7589 8.2853 107.0096 48.1193 0.0000 175.8537 159 I 3.7015 7.3038 121.4892 63.6081 37.0707 178.5862 160 V 3.5283 7.6894 118.8159 66.1876 31.4423 177.9760 161 T 3.9163 7.5702 114.0476 65.9522 68.4283 175.8008 162 F 4.9404 7.5701 117.4960 57.7962 38.9550 176.2524 163 T 4.6558 7.6131 107.5193 61.8622 69.9991 174.1879 164 H 4.4846 8.3039 123.4522 55.5955 29.0068 176.0055 165 E 4.8473 6.9956 109.6314 54.1343 32.0651 177.2217 166 Q 4.4823 8.1149 115.6950 54.8561 31.1788 173.7951 167 N 3.8719 7.8468 116.4229 52.5519 39.6692 175.2753 168 I 3.6923 8.4888 128.7643 64.0327 37.8704 177.0479 169 N 4.4871 8.3320 119.9814 56.6113 38.8061 177.4138 170 E 4.0071 9.0699 120.3916 61.1842 29.8529 182.7948 171 R 4.1075 7.9278 119.5813 59.5399 30.3157 179.2735 172 I 3.7878 7.8765 121.2418 64.5563 36.9072 179.4797 173 K 4.0496 7.6954 124.5116 59.7145 31.5701 182.5147 174 L 4.2068 8.0237 120.8300 58.0336 41.6166 179.3860 175 M 4.0572 8.2439 117.9582 58.8412 32.1005 178.0590 176 N 4.4466 8.2007 116.2095 56.1744 38.8202 177.3735 177 K 4.0751 8.4636 121.2359 59.2463 32.1381 178.6173 178 F 4.1701 8.6762 121.5676 61.4410 39.4396 177.0335 179 S 3.9069 8.1803 114.6902 61.7464 62.5597 176.3441 180 Q 4.3326 7.8014 123.1082 58.7831 28.7991 178.4135 181 I 3.6489 7.6090 119.8815 64.4123 37.0398 178.0668 182 F 3.7576 7.8892 120.1031 61.3739 39.5154 176.7946 183 L 3.9642 8.0308 118.4290 57.8195 40.9696 179.0361 184 N 4.4553 8.8983 117.4183 56.4315 38.6427 176.3785 185 G 3.4560 7.7462 104.6496 45.6921 0.0000 174.5085 186 L 3.9827 7.4874 120.7831 56.7314 42.2227 177.1402 187 S 4.4093 7.4338 118.2647 58.6504 62.8460 173.8174 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 5 D 8.46 4.60 0.00 2.67 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 6 K 7.95 4.18 0.00 1.84 1.80 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.13 7.81 7 I 8.37 3.84 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 1.64 0.54 0.91 0.00 0.00 8 L 8.14 4.31 0.00 1.70 1.79 0.98 0.89 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 9 G 8.16 3.66 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 10 V 7.40 3.73 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 11 A 8.32 3.97 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 4.16 0.00 1.97 2.14 0.00 1.88 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.53 7.81 13 E 8.23 3.99 0.00 2.07 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 0.00 2.30 2.37 0.00 14 L 8.37 3.92 0.00 1.64 1.66 0.92 1.09 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 F 8.60 4.71 0.00 3.26 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 16 I 8.27 4.06 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 0.90 0.00 0.00 17 K 8.31 4.19 0.00 1.83 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 18 N 8.22 5.25 0.00 2.60 2.76 0.00 0.00 7.09 7.51 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 19 G 8.12 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 0.00 0.00 0.00 0.00 20 Y 8.74 4.47 0.00 2.75 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 21 N 8.05 4.30 0.00 2.76 2.86 0.00 0.00 7.05 7.01 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 22 A 7.95 4.06 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 23 T 6.87 4.10 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 1.13 0.00 0.00 24 T 7.71 4.58 4.16 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 1.13 0.00 0.00 25 T 8.47 3.91 4.22 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 1.21 0.00 0.00 26 G 8.03 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.25 4.01 0.00 1.99 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 1.95 0.00 28 I 8.05 3.92 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 1.38 0.54 0.91 0.00 0.00 29 V 7.61 3.90 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 30 K 8.12 4.28 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 31 L 7.75 4.44 0.00 1.78 1.61 0.92 0.68 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 32 S 7.88 4.51 0.00 3.74 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 33 E 8.32 3.80 0.00 2.39 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 2.23 2.11 0.00 34 S 7.54 4.59 0.00 3.57 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.52 4.45 0.00 3.65 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 36 K 8.84 3.99 0.00 1.67 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.01 7.81 37 G 8.28 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 38 N 7.70 4.28 0.00 2.80 2.79 0.00 0.00 6.88 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 39 L 7.21 4.53 0.00 1.47 1.52 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 *40 Y 7.13 4.39 0.00 2.26 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 0.00 0.00 0.00 *45 T 8.19 4.26 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 1.33 0.00 0.00 46 K 8.45 4.13 0.00 1.93 1.91 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.77 1.61 7.81 47 E 8.49 4.18 0.00 2.10 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 2.29 2.19 0.00 48 N 8.08 4.35 0.00 2.92 3.06 0.00 0.00 6.87 6.66 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 49 L 7.94 4.03 0.00 1.93 2.02 1.00 0.94 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 50 F 8.56 3.79 0.00 3.04 2.82 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 51 L 7.84 3.63 0.00 1.86 1.64 0.62 0.67 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 52 E 7.93 3.82 0.00 2.28 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 0.00 2.30 2.37 0.00 53 I 7.48 3.62 1.66 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 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0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.78 7.81 79 F 8.75 4.16 0.00 3.14 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 4.02 0.00 3.24 3.11 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 81 L 8.30 4.29 0.00 2.09 2.25 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.52 3.61 0.00 1.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.25 0.00 2.76 2.76 0.00 0.00 7.10 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 84 E 8.29 4.10 0.00 2.31 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 2.39 2.59 0.00 85 L 8.76 4.22 0.00 2.14 2.12 1.04 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.44 3.12 0.00 3.60 2.69 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.23 4.41 0.00 1.89 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 0.00 2.21 2.12 0.00 115 K 8.12 4.30 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.06 7.81 116 M 8.31 4.95 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 117 N 8.08 4.46 0.00 2.79 2.85 0.00 0.00 7.19 6.74 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 0.00 118 K 7.92 4.38 0.00 1.72 1.85 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.31 7.81 119 L 7.95 4.41 0.00 1.72 1.86 0.84 0.76 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 0.00 120 Q 7.68 4.22 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 121 N 8.26 4.67 0.00 2.78 2.92 0.00 0.00 7.08 7.02 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 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0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.83 0.90 0.00 0.00 131 F 8.65 4.71 0.00 3.15 2.98 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 0.00 132 K 8.70 4.06 0.00 1.82 1.84 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 133 E 9.16 4.03 0.00 2.33 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 0.00 2.40 2.37 0.00 134 G 8.35 3.30 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 0.00 135 N 8.47 4.70 0.00 3.12 2.96 0.00 0.00 7.02 6.38 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 0.00 136 L 7.67 4.03 0.00 1.77 1.58 0.92 1.07 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 0.00 137 N 8.32 4.68 0.00 2.66 2.65 0.00 0.00 7.30 7.52 0.00 0.00 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 G 7.28 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 0.00 139 E 7.73 3.90 0.00 1.16 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 2.02 1.78 0.00 140 W 6.84 4.75 0.00 3.27 3.23 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 0.00 141 S 8.76 4.72 0.00 3.86 3.81 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 0.00 142 I 8.96 4.33 1.81 0.00 0.00 0.54 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 0.54 0.70 0.00 0.00 143 N 8.83 4.46 0.00 2.80 2.94 0.00 0.00 6.23 8.06 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 0.00 144 D 7.58 4.70 0.00 2.86 2.83 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 0.00 145 V 7.69 3.42 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 1.10 0.00 0.00 0.98 0.00 0.00 146 N 8.24 4.28 0.00 2.90 2.80 0.00 0.00 6.99 8.39 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 0.00 147 A 7.87 3.88 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 0.00 148 V 7.67 3.45 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 0.06 0.00 0.00 0.70 0.00 0.00 149 S 8.67 4.24 0.00 4.09 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 0.00 150 K 7.95 4.00 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 151 I 8.09 3.66 2.13 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 1.13 0.00 0.00 152 A 8.25 3.48 0.95 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 0.00 0.00 153 A 7.42 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.12 4.39 0.00 2.87 2.94 0.00 0.00 6.98 7.20 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 0.00 155 A 8.21 3.91 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 0.00 156 V 7.61 3.11 2.32 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 1.07 0.00 0.00 0.99 0.00 0.00 157 N 8.72 4.49 0.00 3.34 3.12 0.00 0.00 7.18 7.92 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 0.00 158 G 8.29 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 0.00 159 I 7.30 3.70 1.75 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 0.82 0.00 0.00 160 V 7.69 3.53 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 0.42 0.00 0.00 0.49 0.00 0.00 161 T 7.57 3.92 3.38 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 0.64 0.00 0.00 162 F 7.57 4.94 0.00 3.13 2.98 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 0.00 163 T 7.61 4.66 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 1.29 0.00 0.00 164 H 8.30 4.48 0.00 3.06 3.24 0.00 5.76 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 7.00 4.85 0.00 1.96 1.70 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 2.04 1.77 0.00 166 Q 8.11 4.48 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 167 N 7.85 3.87 0.00 2.78 2.71 0.00 0.00 6.62 7.98 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 0.00 168 I 8.49 3.69 1.84 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 1.49 1.03 0.89 0.00 0.00 169 N 8.33 4.49 0.00 2.87 2.94 0.00 0.00 7.36 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 0.00 170 E 9.07 4.01 0.00 1.96 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 2.24 2.22 0.00 171 R 7.93 4.11 0.00 2.02 1.99 0.00 3.27 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 172 I 7.88 3.79 2.02 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 1.37 1.11 0.94 0.00 0.00 173 K 7.70 4.05 0.00 1.76 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 174 L 8.02 4.21 0.00 1.86 1.78 0.93 0.71 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 0.00 175 M 8.24 4.06 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 176 N 8.20 4.45 0.00 3.08 3.07 0.00 0.00 6.63 6.79 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 0.00 177 K 8.46 4.08 0.00 1.94 2.04 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.57 7.81 178 F 8.68 4.17 0.00 3.18 3.26 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 0.00 179 S 8.18 3.91 0.00 3.17 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 0.00 180 Q 7.80 4.33 0.00 2.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 181 I 7.61 3.65 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.91 0.00 0.00 182 F 7.89 3.76 0.00 2.30 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 0.00 183 L 8.03 3.96 0.00 2.01 1.86 1.40 -0.21 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 0.00 184 N 8.90 4.46 0.00 2.90 2.94 0.00 0.00 7.12 8.51 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 0.00 185 G 7.75 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 0.00 0.00 0.00 186 L 7.49 3.98 0.00 1.59 1.47 0.33 0.08 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 0.00 187 S 7.43 4.41 0.00 3.73 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 * Residues marked with a * may have inaccurate shift predictions.