NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.2635 8.2431 121.1248 56.6123 30.2118 174.5297 19 G 4.2181 8.0996 111.5205 43.9014 0.0000 168.0251 20 Q 4.8018 9.0703 118.4964 55.2467 33.7679 170.9062 21 I 4.9802 9.1268 126.8129 59.6303 40.1772 174.3924 22 Q 5.1129 9.2496 126.2549 53.9890 31.9278 174.6792 23 V 4.7809 8.9243 123.5586 61.0934 34.7595 174.1235 24 I 4.8004 9.2614 129.1183 59.8860 39.2865 175.0198 25 L 5.6619 9.6093 127.5222 51.5227 44.6175 176.1832 26 G 4.3037 7.4240 108.8936 43.9895 0.0000 170.5341 27 P 4.5437 0.0000 0.0000 61.6311 31.4622 175.8367 28 M 3.7947 8.2324 117.4617 56.5979 32.0206 177.0828 29 F 4.1458 8.1245 117.7877 58.6754 36.2637 176.0005 30 S 4.5672 7.6221 112.9730 57.7298 63.4048 174.3952 31 G 3.8713 8.0875 109.2069 47.0114 0.0000 176.0485 32 K 3.8326 8.3921 120.3330 59.5994 32.0585 178.7717 33 S 4.1344 8.0505 114.4625 61.9481 62.6841 176.8555 34 T 3.8981 7.8404 117.8929 66.6431 68.3238 176.2474 35 E 3.9234 8.4608 121.4569 58.9280 29.5519 178.5670 36 L 3.9633 8.1624 120.6413 58.5209 42.1978 178.9344 37 M 4.0600 8.1365 118.5667 58.2132 31.7387 178.4752 38 R 3.8764 8.2798 119.2240 59.7514 29.7941 178.7485 39 R 3.9316 8.0570 117.5066 59.2603 30.0914 179.3004 40 V 3.6328 8.0939 118.1514 66.2083 31.5116 178.3550 41 R 4.0491 8.5777 118.1133 59.0740 29.5213 179.2290 42 R 3.8282 7.7331 118.3596 59.2927 30.0947 179.0795 43 F 4.2196 7.6973 117.2098 60.3565 38.8493 177.6500 44 Q 4.2514 8.3320 119.3100 59.3631 28.7440 178.1970 45 I 3.7868 8.0002 117.7881 63.0326 37.9457 176.4906 46 A 4.5759 7.1940 120.1043 51.8969 19.0902 177.4982 47 Q 3.9286 8.1801 116.8128 56.9779 27.0463 173.5209 48 Y 4.2751 7.8181 115.7751 57.7665 38.9174 175.8927 49 K 4.3234 8.7780 122.6423 56.6611 33.2587 175.8278 50 C 5.4376 8.7517 121.7680 57.8977 32.1225 173.1572 51 L 4.7829 8.9261 122.6179 53.4303 45.6433 175.0009 52 V 4.8812 8.4870 125.1027 61.1822 34.4351 173.8306 53 I 5.0628 9.1215 128.6645 59.4394 39.8466 174.5822 54 K 5.0433 8.9359 127.1887 54.3568 36.2948 174.3344 55 Y 4.7874 8.2844 124.7780 57.4142 38.9078 176.5392 56 A 3.8821 8.5867 131.3264 55.0229 18.6094 178.3271 57 K 3.7060 6.2064 112.5584 57.2159 32.4006 176.3468 58 D 4.5852 7.3052 119.4452 53.1866 40.4628 175.3378 59 T 4.5870 8.0760 116.4874 61.2531 69.1478 175.7159 60 R 3.8150 7.8133 122.7755 60.0533 30.1891 176.7951 *75 A 4.3706 7.5858 118.0442 51.6266 18.8274 174.1497 76 L 4.2212 8.7290 122.8031 53.8969 43.3915 174.2070 77 P 5.0533 0.0000 0.0000 63.1013 32.4264 175.2937 78 A 4.7063 9.0276 122.1777 51.7415 22.5440 176.5550 79 C 4.7482 8.9805 115.6754 59.7740 30.7526 174.8271 80 L 5.1073 7.6999 118.5209 52.1375 44.9237 177.5183 81 L 3.5258 8.4295 122.4795 57.3156 41.2650 179.5219 82 R 4.0416 8.1583 119.0562 59.5382 29.7377 177.7427 83 D 4.6725 7.8832 116.5982 55.5460 41.1038 177.0384 84 V 4.7640 7.7886 117.0976 59.5343 32.6913 177.3007 85 A 4.2831 7.9536 124.9326 55.6332 17.8475 180.0297 86 Q 3.9416 7.9971 116.9748 59.3687 29.3885 177.7420 87 E 4.1087 8.2025 118.9722 59.4347 29.1292 179.0745 88 A 4.0607 8.1448 120.6751 54.9932 18.1690 179.6764 89 L 4.1593 7.8007 116.8015 57.2136 41.6252 178.1264 90 G 4.0373 7.4469 106.2556 45.0854 0.0000 173.2977 91 V 4.4615 7.2418 116.7753 60.7182 34.7688 175.0633 92 A 4.4884 8.5536 125.5565 52.9532 20.7575 177.3602 93 V 4.5879 7.6190 114.9842 61.1266 35.1037 174.3897 94 I 4.8536 8.9829 128.9303 59.5144 40.1096 174.5508 95 G 4.3943 9.3201 115.1761 44.5612 0.0000 172.2266 96 I 4.9368 9.0046 125.4917 59.4411 38.6632 173.9971 97 D 4.8702 9.3417 127.8836 53.0340 43.3289 176.0094 98 E 3.8699 8.7184 123.2613 57.3961 26.6875 176.4120 99 G 3.8669 8.2791 109.1925 48.3100 0.0000 175.5952 100 Q 3.7379 7.5586 116.9307 58.4739 28.4363 177.1699 101 F 4.1672 7.0832 115.1630 57.7613 39.2874 175.3497 102 F 4.6715 7.6560 121.5571 55.1775 39.3153 175.1563 103 P 4.2929 0.0000 0.0000 65.2086 31.6866 176.5297 104 D 4.6940 8.0953 117.1558 54.3040 41.7907 177.2844 105 I 3.6873 7.7147 119.5706 64.8352 37.9010 177.8736 106 V 3.5723 7.7464 118.6766 66.0977 31.6123 177.7429 107 E 4.0226 8.1661 116.9584 59.1828 29.4282 178.6459 108 F 4.0161 8.2065 121.2676 61.4166 39.4583 176.9995 109 C 4.1085 8.2468 116.4090 62.6670 27.9059 175.7606 110 E 3.8522 8.3012 120.7076 59.2106 29.3928 178.7277 111 A 3.9153 7.9658 120.7861 55.4589 18.3810 179.5922 112 M 3.8159 7.9419 117.0938 58.2628 31.9583 178.9042 113 A 4.1426 8.2234 121.4075 55.2067 18.3422 179.4269 114 N 4.3902 8.1560 113.6582 55.5493 38.6253 176.4409 115 A 4.4277 7.4117 120.2163 51.8263 18.8385 177.8636 116 G 3.8586 7.9289 105.9562 45.4418 0.0000 173.8857 117 K 4.4654 7.9856 119.2396 55.6955 34.2612 176.1404 118 T 4.4672 8.2215 120.3346 62.7202 69.8590 173.8920 119 V 4.7777 8.8925 127.6620 61.0494 34.1568 174.2598 120 I 4.9781 8.9588 128.8468 59.4507 40.2627 174.5265 121 V 4.8055 8.9971 127.1863 61.0172 34.1481 173.8643 122 A 5.1188 8.8236 130.1239 50.7575 20.9855 175.5512 123 A 4.6822 8.4957 121.4155 50.6992 23.3026 175.6493 124 L 4.5768 8.6346 121.2862 54.2329 41.8527 177.4375 125 D 4.5000 8.9721 122.9594 54.8438 40.2894 176.5269 126 G 4.2995 7.7495 106.5427 43.3080 0.0000 172.6734 127 T 4.1285 8.1974 112.2826 60.0502 70.2688 175.2723 128 F 4.8884 8.8356 114.8783 58.7993 37.7499 175.6470 129 Q 4.2219 7.1140 118.6443 54.1462 28.7427 175.4231 130 R 3.7279 7.6502 115.9509 57.2728 28.1903 176.2160 131 K 4.5401 7.3979 114.9561 53.4901 34.6941 174.3199 132 P 4.4216 0.0000 0.0000 63.3388 31.2438 176.2155 133 F 4.4208 8.7803 125.4202 57.2109 39.5407 175.4546 134 G 3.9402 8.4595 120.6286 47.2110 0.0000 172.9542 135 A 4.5602 8.3471 126.4987 51.9081 19.6877 178.4614 136 I 3.7011 7.4279 118.0683 64.4607 37.8665 177.9397 137 L 4.1347 7.8868 119.0107 57.1517 41.3349 178.4810 138 N 4.5242 7.9157 115.4892 55.3957 38.6783 176.7491 139 L 4.1435 7.9345 121.1673 57.2357 41.7291 179.1555 140 V 3.5908 7.6034 118.5541 65.7781 31.2838 176.2591 141 P 4.4474 0.0000 0.0000 64.1959 31.3694 177.4064 142 L 4.3743 7.7502 116.2521 53.8770 42.5734 176.1052 143 A 4.6722 7.0564 122.1190 50.8305 20.1222 177.0460 144 E 4.3545 8.5069 119.3587 57.7147 30.9244 176.6960 145 S 4.6472 7.8141 115.4229 56.6925 66.0549 172.5852 146 V 5.0331 8.4584 126.1831 61.1810 34.3151 174.6191 147 V 4.5687 8.7981 126.5325 59.6869 35.1220 174.2761 148 K 4.8395 8.5294 123.5001 54.7311 33.7886 175.7479 149 L 4.4591 9.1097 128.5522 54.5989 42.9197 176.0625 150 T 4.6808 8.3393 113.7484 60.4292 70.4522 172.4559 151 A 4.8588 8.7416 128.4190 50.1701 22.8854 174.8398 152 V 4.5222 8.1392 118.3218 61.5470 33.0661 175.2458 153 C 4.4160 9.3969 129.2629 60.1592 31.9676 174.0111 154 M 4.2805 9.0111 125.8872 56.4401 31.9714 176.7137 155 E 4.2532 7.7496 117.6318 56.6176 31.4272 176.2471 156 C 4.4029 7.0643 109.8947 56.5443 31.1059 174.9845 157 F 4.2337 7.5737 117.7428 58.2286 36.6672 175.0762 158 R 4.5138 7.2074 121.1304 54.9804 32.4514 175.2825 159 E 4.4809 8.7957 119.1461 57.0323 30.0765 176.6934 160 A 4.8829 9.5151 126.2975 50.2725 21.2340 176.5290 161 A 4.2819 8.3988 122.2691 51.7181 20.9789 175.3943 162 Y 4.9507 7.7223 112.2264 56.3242 42.7688 174.4912 163 T 5.1805 8.5896 116.4054 61.9162 71.5608 173.1593 164 K 4.8685 9.4671 128.5785 54.7961 34.3332 175.0660 165 R 4.4078 8.8002 128.0158 56.1651 30.2956 176.0645 166 L 4.0143 8.6268 127.2950 57.7001 42.3396 178.1482 167 G 4.0346 7.7625 106.3405 44.5691 0.0000 172.6594 168 T 4.4311 8.1172 108.5362 60.8414 70.0895 174.2555 169 E 4.0218 7.8617 121.2381 56.8830 29.9318 177.4855 170 K 4.5512 8.3427 119.1732 56.7761 34.1750 176.9232 171 E 4.2155 7.9638 116.1973 55.9676 30.2335 177.1635 172 V 3.7673 8.4589 121.2479 66.1815 31.7819 176.6035 173 E 4.4577 8.1289 125.8039 55.5653 28.4573 175.9501 174 V 4.3354 8.2206 125.4853 60.6364 33.3685 175.1452 175 I 3.9976 8.5924 128.8469 60.4781 37.5652 176.1360 176 G 4.2669 7.7772 113.9569 45.9923 0.0000 172.8776 177 G 4.4126 7.8560 108.0527 45.2090 0.0000 175.8595 178 A 4.7461 9.2932 124.9695 53.7855 18.6101 178.4001 179 D 4.5315 8.2515 114.8806 55.2981 39.9115 177.0867 180 K 4.4095 8.3516 117.5203 56.2819 34.6019 175.7538 181 Y 5.4530 8.0064 116.6442 56.6211 42.8936 173.5903 182 H 5.4879 9.3520 119.5554 53.8244 32.3194 173.5224 183 S 5.0322 9.0836 117.8845 58.7503 64.3576 173.4960 184 V 4.9426 9.1511 116.5665 59.6943 36.6417 175.1275 185 C 4.7802 8.6119 118.1055 57.2490 31.1665 174.4564 186 R 4.0736 8.9650 118.9267 59.8205 29.3604 177.8682 187 L 4.3119 8.0160 118.0142 58.2908 41.4868 179.2826 188 C 4.2507 8.1679 115.9869 62.6401 27.5865 175.2404 189 Y 3.8757 8.2399 121.5345 60.1368 38.1153 177.2835 190 F 4.7151 7.6337 114.9951 56.3868 39.9345 176.3699 191 K 4.0450 7.2997 119.5871 57.3997 32.5071 177.1472 192 K 4.1811 8.7517 121.1975 57.4444 34.0349 174.3649 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 18 R 8.24 4.26 0.00 1.86 1.96 0.00 3.21 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 19 G 8.10 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 0.00 0.00 0.00 0.00 20 Q 9.07 4.80 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 21 I 9.13 4.98 1.86 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 1.20 0.49 0.90 0.00 0.00 22 Q 9.25 5.11 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 23 V 8.92 4.78 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 0.96 0.00 0.00 0.92 0.00 0.00 24 I 9.26 4.80 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.90 0.00 0.00 25 L 9.61 5.66 0.00 1.60 1.54 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.42 4.30 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 27 P 0.00 4.54 0.00 2.20 2.22 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 28 M 8.23 3.79 0.00 0.60 1.48 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 29 F 8.12 4.15 0.00 3.26 3.14 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 30 S 7.62 4.57 0.00 4.10 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 31 G 8.09 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 32 K 8.39 3.83 0.00 1.77 1.86 0.00 1.85 0.00 0.00 1.98 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.52 7.81 33 S 8.05 4.13 0.00 3.88 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 34 T 7.84 3.90 4.41 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 1.23 0.00 0.00 35 E 8.46 3.92 0.00 2.07 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 0.00 2.31 2.36 0.00 36 L 8.16 3.96 0.00 1.80 1.91 0.96 0.96 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 37 M 8.14 4.06 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.88 0.00 38 R 8.28 3.88 0.00 1.94 2.10 0.00 3.09 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 1.62 1.69 0.00 39 R 8.06 3.93 0.00 2.12 2.08 0.00 3.22 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 40 V 8.09 3.63 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 1.08 0.00 0.00 1.03 0.00 0.00 41 R 8.58 4.05 0.00 1.96 1.98 0.00 3.20 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 42 R 7.73 3.83 0.00 1.73 1.61 0.00 3.04 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 43 F 7.70 4.22 0.00 3.17 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 44 Q 8.33 4.25 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 45 I 8.00 3.79 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.99 0.00 0.00 46 A 7.19 4.58 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 47 Q 8.18 3.93 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 48 Y 7.82 4.28 0.00 3.06 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 49 K 8.78 4.32 0.00 1.73 1.77 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.43 7.81 50 C 8.75 5.44 0.00 2.85 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 8.93 4.78 0.00 1.71 1.45 0.94 1.19 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 52 V 8.49 4.88 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 0.99 0.00 0.00 0.95 0.00 0.00 53 I 9.12 5.06 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 0.78 0.00 0.00 54 K 8.94 5.04 0.00 1.85 1.66 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 55 Y 8.28 4.79 0.00 2.82 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 56 A 8.59 3.88 1.14 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 0.00 0.00 57 K 6.21 3.71 0.00 0.79 1.45 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.05 7.81 58 D 7.31 4.59 0.00 2.75 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 59 T 8.08 4.59 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 1.15 0.00 0.00 60 R 7.81 3.81 0.00 1.89 2.10 0.00 3.28 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 *75 A 7.59 4.37 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 76 L 8.73 4.22 0.00 1.77 1.57 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 5.05 0.00 2.09 2.02 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 78 A 9.03 4.71 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 79 C 8.98 4.75 0.00 2.98 3.02 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 80 L 7.70 5.11 0.00 1.90 1.56 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.43 3.53 0.00 1.08 0.13 0.43 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.16 4.04 0.00 2.15 1.97 0.00 3.13 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 83 D 7.88 4.67 0.00 2.81 2.73 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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8.55 4.49 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 93 V 7.62 4.59 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 0.75 0.00 0.00 0.21 0.00 0.00 94 I 8.98 4.85 1.88 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 1.18 0.47 1.03 0.00 0.00 95 G 9.32 4.39 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 0.00 96 I 9.00 4.94 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.79 0.79 0.00 0.00 97 D 9.34 4.87 0.00 2.80 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 98 E 8.72 3.87 0.00 2.40 2.14 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 2.33 2.37 0.00 99 G 8.28 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 0.00 100 Q 7.56 3.74 0.00 1.53 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 101 F 7.08 4.17 0.00 1.88 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.66 4.67 0.00 2.98 2.89 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 0.00 103 P 0.00 4.29 0.00 2.23 2.24 0.00 3.92 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 104 D 8.10 4.69 0.00 2.85 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 0.00 0.00 0.00 0.00 105 I 7.71 3.69 2.05 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 1.42 1.08 0.96 0.00 0.00 106 V 7.75 3.57 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 1.05 0.00 0.00 0.95 0.00 0.00 107 E 8.17 4.02 0.00 2.24 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 2.71 2.36 0.00 108 F 8.21 4.02 0.00 3.23 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 0.00 109 C 8.25 4.11 0.00 3.06 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 0.00 110 E 8.30 3.85 0.00 2.11 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 2.29 2.34 0.00 111 A 7.97 3.92 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 0.00 112 M 7.94 3.82 0.00 1.77 1.76 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 113 A 8.22 4.14 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 0.00 114 N 8.16 4.39 0.00 2.74 2.86 0.00 0.00 7.00 6.96 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 0.00 115 A 7.41 4.43 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 0.00 116 G 7.93 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 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0.00 2.86 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 0.00 126 G 7.75 4.30 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 0.00 127 T 8.20 4.13 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 0.46 0.00 0.00 128 F 8.84 4.89 0.00 3.34 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 0.00 129 Q 7.11 4.22 0.00 1.64 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 130 R 7.65 3.73 0.00 1.64 1.71 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.00 131 K 7.40 4.54 0.00 1.62 1.58 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.24 7.81 132 P 0.00 4.42 0.00 2.02 2.02 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 133 F 8.78 4.42 0.00 2.95 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 0.00 134 G 8.46 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 0.00 135 A 8.35 4.56 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 0.00 136 I 7.43 3.70 1.92 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 1.47 1.48 0.96 0.00 0.00 137 L 7.89 4.13 0.00 1.73 1.70 0.92 0.73 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 0.00 138 N 7.92 4.52 0.00 2.83 2.89 0.00 0.00 7.02 7.86 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 0.00 139 L 7.93 4.14 0.00 1.97 1.71 0.92 0.76 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 0.00 140 V 7.60 3.59 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 1.03 0.00 0.00 0.92 0.00 0.00 141 P 0.00 4.45 0.00 2.06 2.09 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 142 L 7.75 4.37 0.00 1.71 1.69 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.06 4.67 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 0.00 144 E 8.51 4.35 0.00 2.00 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 0.00 2.43 2.39 0.00 145 S 7.81 4.65 0.00 3.87 3.68 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 0.00 146 V 8.46 5.03 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 0.88 0.00 0.00 0.92 0.00 0.00 147 V 8.80 4.57 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 0.70 0.00 0.00 0.92 0.00 0.00 148 K 8.53 4.84 0.00 1.73 1.69 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.39 7.81 149 L 9.11 4.46 0.00 1.52 1.58 0.97 0.64 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 0.00 150 T 8.34 4.68 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 1.23 0.00 0.00 151 A 8.74 4.86 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 0.00 152 V 8.14 4.52 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 0.93 0.00 0.00 0.98 0.00 0.00 153 C 9.40 4.42 0.00 3.08 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 0.00 154 M 9.01 4.28 0.00 1.72 1.88 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 155 E 7.75 4.25 0.00 1.81 1.86 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 2.17 2.21 0.00 156 C 7.06 4.40 0.00 3.00 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 0.00 157 F 7.57 4.23 0.00 3.30 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 0.00 158 R 7.21 4.51 0.00 1.85 1.92 0.00 3.16 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 159 E 8.80 4.48 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 160 A 9.52 4.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 4.28 0.47 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 0.00 162 Y 7.72 4.95 0.00 2.97 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 0.00 0.00 0.00 0.00 163 T 8.59 5.18 4.35 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 1.24 0.00 0.00 164 K 9.47 4.87 0.00 1.90 1.92 0.00 1.35 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.26 7.81 165 R 8.80 4.41 0.00 1.80 1.75 0.00 2.54 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.00 166 L 8.63 4.01 0.00 1.41 1.59 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.76 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 0.00 0.00 0.00 168 T 8.12 4.43 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 1.17 0.00 0.00 169 E 7.86 4.02 0.00 2.20 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 2.10 2.10 0.00 170 K 8.34 4.55 0.00 1.78 1.95 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.59 7.81 171 E 7.96 4.22 0.00 2.12 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 2.29 2.27 0.00 172 V 8.46 3.77 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 0.45 0.00 0.00 0.91 0.00 0.00 173 E 8.13 4.46 0.00 2.32 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 2.35 2.40 0.00 174 V 8.22 4.34 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 0.87 0.00 0.00 0.97 0.00 0.00 175 I 8.59 4.00 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.93 0.00 0.00 176 G 7.78 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 0.00 0.00 0.00 0.00 177 G 7.86 4.41 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 0.00 178 A 9.29 4.75 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 0.00 179 D 8.25 4.53 0.00 2.81 2.84 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 0.00 180 K 8.35 4.41 0.00 1.42 1.36 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.52 7.81 181 Y 8.01 5.45 0.00 3.18 2.93 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 0.00 182 H 9.35 5.49 0.00 3.11 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 9.08 5.03 0.00 4.06 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 V 9.15 4.94 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 0.92 0.00 0.00 1.24 0.00 0.00 185 C 8.61 4.78 0.00 3.19 3.27 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 0.00 186 R 8.96 4.07 0.00 2.12 2.20 0.00 3.36 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 187 L 8.02 4.31 0.00 1.81 1.78 0.97 1.04 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 0.00 188 C 8.17 4.25 0.00 3.02 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 0.00 189 Y 8.24 3.88 0.00 3.14 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 0.00 190 F 7.63 4.72 0.00 3.16 3.07 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 0.00 0.00 0.00 191 K 7.30 4.05 0.00 1.95 1.76 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.42 7.81 192 K 8.75 4.18 0.00 1.93 1.79 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.