NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3375 8.1733 120.1312 56.7476 34.1467 174.3496 6 K 4.6480 8.6719 123.9521 53.8001 35.4345 174.0390 7 G 4.1441 8.9640 110.6024 44.8814 0.0000 171.8664 8 Y 5.5096 8.6030 118.6165 55.9969 42.0873 174.5613 9 L 5.2836 9.0559 122.1968 54.7934 44.7571 173.9648 10 R 5.1818 9.6062 121.3225 54.8100 32.8522 174.4227 11 I 4.6343 8.8197 127.9659 60.3968 38.9430 174.8774 12 V 4.7514 9.3808 128.9239 60.9770 32.7914 174.9560 13 T 5.3493 8.6990 118.3466 59.7595 71.4337 174.5055 14 T 4.3404 8.8299 111.2476 62.9187 69.0992 174.6803 15 Q 4.6233 8.5093 121.9233 56.2840 30.2211 174.0992 16 G 4.0872 8.2760 102.7519 44.1916 0.0000 173.2839 17 S 5.3483 8.5189 114.1020 56.4908 66.9458 173.2820 18 L 4.9019 8.9678 122.6334 53.0607 44.9405 175.1767 19 N 5.2249 9.6224 122.5723 52.2375 40.5274 174.2533 20 I 4.9267 8.9567 124.2762 59.4319 41.4493 173.8088 21 E 4.6761 8.9139 127.7057 54.5971 31.6536 174.3113 22 L 4.6322 8.2910 127.2148 52.8298 43.8331 177.1864 23 H 4.8291 8.3981 124.1562 54.5784 27.3254 176.4491 24 A 4.5603 7.7016 122.5413 54.6854 19.0185 178.9694 25 D 4.5668 7.6554 114.3560 55.4847 39.8278 177.2455 26 M 4.5494 8.0154 116.5875 55.2066 35.0465 175.5437 27 A 4.8204 8.5558 121.4870 49.1178 19.3518 174.7303 28 P 4.5733 0.0000 0.0000 66.0392 31.6209 178.8697 29 R 3.7965 8.4777 117.6760 58.7140 30.0283 178.9440 30 A 3.5845 8.2030 120.5938 55.0159 18.2797 179.6026 31 C 4.2089 7.9893 115.1953 62.8941 28.2571 175.5858 32 D 3.8691 7.9423 119.9695 57.2548 40.6975 178.0035 33 S 3.0166 7.3352 113.5408 61.1472 62.1194 176.0204 34 F 4.0599 7.8461 122.7202 61.4051 39.1766 177.1329 35 L 4.1611 8.2710 118.7066 57.8251 41.0712 179.6421 36 R 3.8771 8.2849 118.5123 59.0491 29.7520 179.1344 37 L 3.6362 7.5912 118.8594 57.6976 41.7656 178.8745 38 C 4.1080 8.4343 116.9227 62.9424 27.8237 176.0554 39 A 4.0526 7.8875 121.1936 54.9271 17.9978 179.2140 40 V 4.1148 6.9619 107.4253 60.5274 32.1278 176.6051 41 K 3.9271 7.6238 116.1601 57.3522 30.6340 176.7157 42 Y 3.9426 7.6476 122.8795 60.8913 38.7614 178.4891 43 F 4.4825 8.0789 116.1988 58.5588 39.7875 175.2223 44 D 4.5927 7.9694 122.4272 55.9731 40.9906 177.2082 45 D 4.8395 9.5806 123.7250 54.2954 39.9658 174.4898 46 T 4.4162 7.6534 110.1764 61.6636 69.4070 173.4182 47 I 4.8160 8.1137 115.5138 59.4048 41.4924 174.3320 48 F 4.7310 8.8016 121.8708 56.4795 38.6236 175.9579 49 H 4.6528 8.7541 119.1172 55.5289 29.6434 175.0448 50 R 4.9903 7.3760 121.1507 54.9612 33.3799 173.1167 51 C 5.1774 9.2679 126.8430 58.1867 34.6895 173.1436 52 I 4.6082 8.9429 128.1386 59.1864 39.5442 175.3863 53 R 3.9042 8.9356 126.9565 58.2883 30.1574 175.5473 54 N 4.5316 9.4576 120.3461 53.9893 36.6242 174.3277 55 F 5.3597 8.1128 118.6915 58.1714 41.5341 174.7010 56 M 4.1496 7.7521 111.9101 54.4824 34.9845 173.4621 57 I 4.8815 7.6498 119.1256 59.1327 41.5105 173.6923 58 Q 4.9477 9.3653 129.6883 54.6343 32.1571 174.9474 59 G 3.4653 8.1027 113.6466 44.7616 0.0000 173.5297 60 G 4.2156 7.6076 106.9683 45.4742 0.0000 173.5724 61 R 4.1534 7.6263 120.4594 54.8165 30.1147 176.5149 62 A 3.7056 8.4521 130.1706 55.2982 18.4806 179.3375 63 E 4.1513 8.0291 112.9662 58.1347 29.5882 177.6999 64 L 4.4879 7.3847 116.4302 53.9077 42.1782 176.4557 65 R 3.9633 7.5666 120.5114 57.0242 30.3627 177.4525 66 Q 4.4333 8.4992 129.1123 54.8173 28.0570 175.3970 67 P 4.6242 0.0000 0.0000 61.8351 31.2412 177.6971 *75 Q 4.3058 8.6614 114.5948 57.7222 30.6300 176.2201 76 S 4.3195 7.8794 112.2874 57.1224 63.0080 171.9767 77 P 4.3175 0.0000 0.0000 64.6542 31.6156 176.3590 78 R 4.8343 7.5120 113.5596 53.7939 31.6191 175.8535 79 S 4.7703 9.2640 116.1535 58.2427 63.2659 174.0654 80 I 4.6880 7.9818 117.1981 58.8947 40.5364 174.7266 81 S 4.7364 7.6014 115.8447 56.7073 63.9582 174.6308 82 G 3.3420 8.4152 109.0168 46.8627 0.0000 174.4814 83 F 4.5247 7.1012 118.6338 55.8688 39.6553 173.1509 84 P 4.4673 0.0000 0.0000 64.7514 31.1596 175.6685 85 G 3.9401 8.9676 110.9166 44.1009 0.0000 174.3492 86 G 3.8369 8.4723 106.2687 45.8127 0.0000 173.4396 87 A 4.3981 7.8388 121.6558 50.7273 19.0530 176.3653 88 P 4.8259 0.0000 0.0000 63.0207 31.7467 175.4016 89 F 5.1404 8.0399 115.7560 54.7842 41.2953 174.5264 90 E 4.2509 8.7931 118.7955 56.1712 30.1025 176.8949 91 D 4.3499 8.8123 121.3586 54.3798 41.8554 176.2943 92 E 4.2894 8.5912 120.5359 54.8509 32.3186 175.1430 93 F 5.4458 8.1637 121.8957 56.0284 42.3627 174.5674 94 D 4.7062 8.2252 119.4850 53.3762 43.8692 176.3085 95 N 4.4554 8.8675 123.6107 56.0965 38.7661 176.2937 96 R 4.0673 8.0902 115.5034 56.9925 30.4281 176.2289 97 L 4.5685 7.7742 118.4217 52.9990 42.2457 176.0606 98 V 4.6354 7.8740 115.9520 59.6908 35.8593 176.4846 99 H 4.5739 9.2730 120.6848 55.1224 27.1037 174.7703 100 Q 4.6188 7.7298 119.9559 55.1195 31.1315 176.0830 101 G 3.8978 8.9850 114.6911 44.4332 0.0000 172.4449 102 I 3.8588 7.9772 118.3834 62.0902 38.6572 175.9305 103 G 3.8370 9.1377 114.8924 45.4062 0.0000 172.8168 104 V 3.9096 7.6853 120.6343 62.3642 32.7562 174.5506 105 L 4.7162 8.5327 130.7459 53.6225 43.4625 175.0900 106 S 5.1469 8.1919 119.8549 56.8620 66.6951 172.1386 107 M 5.1929 9.1684 123.6786 54.4539 32.5365 176.5806 108 A 4.6730 9.0231 126.2082 52.4926 19.6612 176.5939 109 N 4.8504 8.2752 115.2534 52.7412 39.5906 173.4010 110 D 4.7993 8.6672 116.0199 54.9908 41.8366 174.1610 111 G 3.6851 8.4739 104.4959 43.6037 0.0000 173.9940 112 K 3.7604 8.6549 117.2366 58.8947 32.6114 176.8623 113 H 4.2387 8.7242 120.2567 57.4969 26.6980 174.8145 114 S 4.6943 7.4492 105.6694 57.8994 64.0757 174.0941 115 N 4.3699 7.4976 118.4252 53.7252 38.8282 173.8394 116 L 4.7780 8.2397 120.7746 54.6716 44.3808 177.2862 117 S 4.9001 8.4570 119.3288 58.0910 65.7817 174.9106 118 E 4.7657 8.3066 121.8682 56.3948 30.6419 175.6949 119 F 5.8236 8.6696 117.8372 55.6323 42.4339 172.9170 120 F 5.5546 9.4683 113.5086 55.3025 41.8852 173.4695 121 I 5.6813 8.9003 120.5361 58.6416 40.1117 175.4040 122 T 4.3623 8.4073 117.1150 62.0202 69.5556 175.1716 123 F 4.8050 8.9352 122.8943 59.5504 40.1542 175.3931 124 K 4.5832 8.0163 116.8704 54.8239 35.1322 174.7488 125 S 4.5280 8.5345 116.9092 59.7632 63.7549 175.6502 126 C 4.9124 8.8937 117.4106 57.7700 30.2579 174.7761 127 E 4.4883 8.0845 119.4710 58.4783 29.9478 178.9316 128 H 4.3845 8.1165 114.3120 57.5250 28.9206 176.0824 129 L 4.3169 7.7142 119.9020 55.4239 42.0600 176.4957 130 N 4.5966 7.6277 116.6027 55.0116 38.8277 174.2771 131 N 3.1400 8.5938 117.2588 53.3587 36.1971 174.9932 132 K 4.5092 7.8968 117.9005 56.3720 34.6106 176.3674 133 H 5.0786 8.1651 114.5771 53.8443 32.1299 172.8542 134 T 4.4939 8.7174 120.5637 63.4080 69.2888 173.4903 135 I 4.6461 8.6208 128.8180 60.8641 37.8520 175.9309 136 F 4.9395 9.0203 120.3403 56.0492 40.0454 174.3461 137 G 3.7114 7.1532 105.7829 46.4145 0.0000 172.2244 138 R 5.0464 7.9883 114.7149 54.5136 33.2174 174.7704 139 V 4.1242 8.6527 122.4867 63.2363 31.4465 176.0995 140 V 4.2044 8.6557 121.6154 61.4333 32.6671 176.5702 141 G 3.8097 7.8621 106.3613 45.9315 0.0000 174.1709 142 G 4.3479 8.9107 114.3110 45.6910 0.0000 175.7337 143 L 3.9572 8.0835 122.3430 57.3148 41.3597 178.6564 144 D 4.3950 7.8976 118.2460 56.5019 40.9287 178.7293 145 V 3.3149 7.4376 118.8016 65.5802 31.5172 177.5341 146 L 3.5648 7.2439 119.5172 58.2379 41.7262 179.2455 147 R 3.8586 7.6738 116.5728 59.1842 30.3127 178.7622 148 Q 4.1507 7.6934 118.1413 58.5366 28.8043 178.4255 149 W 4.4448 8.2949 120.1305 59.7735 28.8587 178.0874 150 E 3.2197 7.8463 118.3255 58.1190 28.9447 178.0252 151 K 4.2723 7.4101 115.8182 55.5590 32.9604 176.7783 152 L 4.1240 7.1229 120.2511 54.9136 42.2519 176.8475 153 E 4.3238 8.8793 124.7375 56.4280 30.8249 175.4012 154 T 5.1807 8.2931 115.6111 59.8840 72.2749 174.7731 155 D 4.6681 9.0784 125.2561 53.6949 41.0593 177.5130 156 K 4.0477 8.6465 118.6789 57.3689 31.9782 173.7424 157 K 4.3868 8.1813 114.3503 56.4293 32.3234 176.6057 158 D 4.5781 8.0565 118.2325 54.4961 39.0669 173.3036 159 K 4.8651 8.1701 121.6364 54.5452 32.6420 174.7521 160 P 4.7668 0.0000 0.0000 62.8920 31.9045 176.4924 161 L 4.1306 8.7784 122.3546 57.0607 41.6641 177.7791 162 K 4.4652 7.5261 118.0190 53.3827 31.9600 172.6497 163 P 4.3104 0.0000 0.0000 61.2447 32.3404 174.8569 164 P 4.3088 0.0000 0.0000 62.7349 32.4846 174.9234 165 K 5.0105 8.5960 125.1545 54.2780 35.2254 175.1622 166 V 4.2339 8.8891 128.2029 63.4883 31.8352 176.3551 167 E 4.2779 9.6742 129.3155 59.0625 30.1754 176.6760 168 E 5.2987 7.6092 114.0757 56.5988 32.7354 174.5182 169 I 5.0479 8.4551 120.7838 59.7153 40.0612 175.0735 170 I 4.1470 8.9846 128.9758 59.8261 38.7118 174.9031 171 V 4.3633 8.1708 127.7818 61.9262 31.7528 175.4208 172 F 4.6512 9.2189 126.9718 58.4462 40.4953 176.3279 173 K 4.3474 7.9004 118.4339 55.7144 35.3950 173.6463 174 N 5.0798 8.8933 126.8465 51.1982 40.0847 171.9947 175 P 4.3550 0.0000 0.0000 63.4293 31.8946 176.3772 176 F 4.5194 8.7195 123.9294 57.8810 38.9966 175.4239 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 K 8.17 4.34 0.00 1.70 1.96 0.00 1.09 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.36 7.81 6 K 8.67 4.65 0.00 1.36 1.46 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.56 7.81 7 G 8.96 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 0.00 0.00 0.00 8 Y 8.60 5.51 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.06 5.28 0.00 2.03 1.84 1.00 0.59 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 10 R 9.61 5.18 0.00 2.26 2.06 0.00 3.25 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 11 I 8.82 4.63 2.07 0.00 0.00 1.00 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 0.70 1.25 0.00 0.00 12 V 9.38 4.75 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 1.03 0.00 0.00 1.07 0.00 0.00 13 T 8.70 5.35 4.56 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 1.63 0.00 0.00 14 T 8.83 4.34 4.29 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 1.35 0.00 0.00 15 Q 8.51 4.62 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 16 G 8.28 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 0.00 0.00 0.00 17 S 8.52 5.35 0.00 3.77 3.78 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 18 L 8.97 4.90 0.00 1.56 1.47 0.86 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.62 5.22 0.00 2.73 2.72 0.00 0.00 6.41 7.09 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 20 I 8.96 4.93 1.91 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 0.96 0.99 0.63 0.00 0.00 21 E 8.91 4.68 0.00 2.10 1.69 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 1.93 1.77 0.00 22 L 8.29 4.63 0.00 1.43 1.52 0.99 0.61 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 23 H 8.40 4.83 0.00 3.19 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.70 4.56 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 25 D 7.66 4.57 0.00 2.94 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 26 M 8.02 4.55 0.00 2.02 2.14 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 2.50 2.62 0.00 27 A 8.56 4.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.57 0.00 2.32 2.65 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 29 R 8.48 3.80 0.00 2.02 1.75 0.00 3.08 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 30 A 8.20 3.58 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 31 C 7.99 4.21 0.00 3.38 3.25 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 32 D 7.94 3.87 0.00 1.84 2.42 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 33 S 7.34 3.02 0.00 2.72 3.41 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 34 F 7.85 4.06 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 35 L 8.27 4.16 0.00 1.82 1.79 1.25 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.28 3.88 0.00 1.65 1.87 0.00 2.94 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 37 L 7.59 3.64 0.00 1.70 1.09 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.43 4.11 0.00 3.13 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 39 A 7.89 4.05 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 40 V 6.96 4.11 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 0.76 0.00 0.00 0.96 0.00 0.00 41 K 7.62 3.93 0.00 1.99 2.04 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.51 7.81 42 Y 7.65 3.94 0.00 2.74 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 43 F 8.08 4.48 0.00 3.17 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 44 D 7.97 4.59 0.00 2.95 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 45 D 9.58 4.84 0.00 2.81 2.94 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 46 T 7.65 4.42 4.20 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 1.06 0.00 0.00 47 I 8.11 4.82 1.87 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 1.30 0.88 0.90 0.00 0.00 48 F 8.80 4.73 0.00 2.58 2.87 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 49 H 8.75 4.65 0.00 3.30 3.48 0.00 5.21 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.38 4.99 0.00 1.72 1.54 0.00 3.14 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 51 C 9.27 5.18 0.00 3.02 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 52 I 8.94 4.61 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 1.11 0.00 0.00 53 R 8.94 3.90 0.00 1.77 1.92 0.00 3.35 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 54 N 9.46 4.53 0.00 3.01 3.01 0.00 0.00 6.69 7.84 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 55 F 8.11 5.36 0.00 3.08 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 56 M 7.75 4.15 0.00 1.63 1.91 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.94 0.00 57 I 7.65 4.88 2.03 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.93 1.03 0.00 0.00 58 Q 9.37 4.95 0.00 1.95 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.24 0.00 0.00 0.00 0.00 0.00 2.11 2.37 0.00 59 G 8.10 3.47 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 0.00 60 G 7.61 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 61 R 7.63 4.15 0.00 1.77 1.69 0.00 3.32 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 62 A 8.45 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.03 4.15 0.00 1.89 1.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.83 0.00 2.19 2.02 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 89 F 8.04 5.14 0.00 3.17 3.25 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 90 E 8.79 4.25 0.00 1.85 1.81 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 2.05 2.27 0.00 91 D 8.81 4.35 0.00 2.26 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.59 4.29 0.00 1.95 1.79 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 2.18 2.24 0.00 93 F 8.16 5.45 0.00 3.08 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 94 D 8.23 4.71 0.00 2.70 2.50 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 95 N 8.87 4.46 0.00 2.78 2.89 0.00 0.00 7.08 7.66 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 104 V 7.69 3.91 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 0.75 0.00 0.00 0.91 0.00 0.00 105 L 8.53 4.72 0.00 1.38 0.95 0.59 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.19 5.15 0.00 3.49 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 0.00 107 M 9.17 5.19 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 108 A 9.02 4.67 1.42 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 0.00 0.00 109 N 8.28 4.85 0.00 2.78 2.83 0.00 0.00 5.85 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 0.00 110 D 8.67 4.80 0.00 2.65 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 0.00 111 G 8.47 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.65 3.76 0.00 1.72 1.60 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.49 7.81 113 H 8.72 4.24 0.00 3.23 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.45 4.69 0.00 3.89 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 0.00 115 N 7.50 4.37 0.00 1.44 1.69 0.00 0.00 6.84 6.62 0.00 0.00 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 L 8.24 4.78 0.00 1.68 1.44 0.98 0.87 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 0.00 117 S 8.46 4.90 0.00 4.09 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 0.00 118 E 8.31 4.77 0.00 2.06 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 2.58 2.39 0.00 119 F 8.67 5.82 0.00 3.46 3.47 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 0.00 120 F 9.47 5.55 0.00 3.06 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 0.00 121 I 8.90 5.68 1.91 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.76 0.89 0.00 0.00 122 T 8.41 4.36 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 123 F 8.94 4.80 0.00 3.09 3.19 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 0.00 0.00 0.00 0.00 124 K 8.02 4.58 0.00 1.78 1.80 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.60 7.81 125 S 8.53 4.53 0.00 3.96 3.88 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 0.00 0.00 0.00 126 C 8.89 4.91 0.00 3.17 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 0.00 127 E 8.08 4.49 0.00 2.10 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 2.50 2.45 0.00 128 H 8.12 4.38 0.00 3.26 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 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0.00 0.00 0.00 137 G 7.15 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.99 5.05 0.00 1.78 1.92 0.00 2.76 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 139 V 8.65 4.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.89 0.00 0.00 140 V 8.66 4.20 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 0.72 0.00 0.00 1.01 0.00 0.00 141 G 7.86 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 0.00 0.00 0.00 142 G 8.91 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 0.00 0.00 0.00 0.00 143 L 8.08 3.96 0.00 1.64 1.69 0.90 1.04 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 0.00 144 D 7.90 4.40 0.00 2.61 2.64 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 0.00 145 V 7.44 3.31 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 0.21 0.00 0.00 0.78 0.00 0.00 146 L 7.24 3.56 0.00 1.83 1.74 0.74 0.99 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 R 7.67 3.86 0.00 1.91 1.91 0.00 3.17 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 148 Q 7.69 4.15 0.00 2.15 2.21 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 2.51 2.53 0.00 149 W 8.29 4.44 0.00 3.68 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 0.00 150 E 7.85 3.22 0.00 1.16 1.69 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 1.96 1.48 0.00 151 K 7.41 4.27 0.00 1.96 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.39 7.81 152 L 7.12 4.12 0.00 1.71 1.63 0.85 0.95 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 0.00 153 E 8.88 4.32 0.00 2.06 1.82 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 2.38 2.32 0.00 154 T 8.29 5.18 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 1.41 0.00 0.00 155 D 9.08 4.67 0.00 2.88 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 0.00 156 K 8.65 4.05 0.00 1.80 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.03 7.81 157 K 8.18 4.39 0.00 1.85 1.87 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.45 7.81 158 D 8.06 4.58 0.00 2.90 2.86 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 0.00 159 K 8.17 4.87 0.00 1.82 2.01 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.54 7.81 160 P 0.00 4.77 0.00 2.13 1.97 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 161 L 8.78 4.13 0.00 1.62 1.73 0.93 0.99 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 0.00 162 K 7.53 4.47 0.00 1.96 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 0.98 7.81 163 P 0.00 4.31 0.00 2.03 2.16 0.00 3.68 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 2.02 2.26 0.00 164 P 0.00 4.31 0.00 1.35 1.54 0.00 3.25 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.44 0.00 165 K 8.60 5.01 0.00 1.87 1.66 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.62 7.81 166 V 8.89 4.23 2.39 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 0.96 0.00 0.00 1.20 0.00 0.00 167 E 9.67 4.28 0.00 2.09 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 2.39 2.32 0.00 168 E 7.61 5.30 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 169 I 8.46 5.05 1.94 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 1.45 0.80 1.06 0.00 0.00 170 I 8.98 4.15 1.68 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.83 0.22 0.00 0.00 171 V 8.17 4.36 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 0.92 0.00 0.00 0.98 0.00 0.00 172 F 9.22 4.65 0.00 3.06 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.90 4.35 0.00 1.99 1.89 0.00 1.83 0.00 0.00 2.11 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 174 N 8.89 5.08 0.00 2.73 2.73 0.00 0.00 7.27 7.69 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 0.00 175 P 0.00 4.36 0.00 1.72 1.92 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.69 0.00 176 F 8.72 4.52 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.