NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2946 8.2649 123.5760 52.0211 19.9445 176.6299 6 H 4.3227 8.4835 117.8194 54.3100 29.5632 173.2053 7 P 4.4970 0.0000 0.0000 62.6766 32.6655 176.4142 8 I 4.2796 8.1576 113.9086 61.2281 38.4034 174.9892 9 S 4.6903 7.3526 113.6517 57.6945 64.9280 174.0956 10 R 4.0182 8.9732 124.7459 58.3597 30.0583 176.4026 11 Y 4.3259 7.5303 114.2698 55.3955 39.4124 173.4527 12 P 4.2687 0.0000 0.0000 62.9552 31.8586 176.6167 13 V 4.2871 8.0867 121.5137 60.1535 32.1967 173.7179 14 P 4.4707 0.0000 0.0000 62.4944 32.1233 176.1999 15 E 4.2421 8.4916 119.6768 55.9762 30.5554 177.7786 16 L 3.8968 8.8067 122.3714 58.1745 41.4579 179.5210 17 A 3.9439 8.1262 118.3928 55.5418 18.2771 179.0923 18 A 4.0920 7.7444 116.6665 53.1441 18.8443 177.7686 19 L 4.3637 7.0562 117.1949 52.8159 43.2228 175.6169 20 P 4.3521 0.0000 0.0000 63.0375 33.2690 177.3912 21 D 4.3558 8.5948 119.6812 57.3130 41.1554 178.3622 22 D 4.4191 8.0731 119.4454 56.3301 39.3341 178.6682 23 I 3.7165 7.5950 120.7367 64.3105 37.2505 178.0715 24 R 3.8827 7.7897 118.8664 59.6296 29.8520 179.1105 25 Q 3.9785 8.1575 117.5086 59.0032 28.2240 178.8266 26 R 3.8878 7.8433 119.8558 59.1992 30.1022 178.7810 27 I 3.4135 7.7425 119.7469 64.3901 37.1043 178.4922 28 L 3.9751 8.3494 119.9867 57.3784 41.3762 179.2575 29 E 3.8664 8.2234 119.9622 59.2601 29.5328 179.2856 30 V 3.5268 7.1735 118.2745 64.3231 31.3853 178.0073 31 Q 4.0579 7.6488 121.7316 58.5435 28.5866 178.2552 32 D 4.2622 7.5301 118.6822 57.1450 40.9921 178.2920 33 K 4.0061 7.6095 118.0069 59.2442 32.3666 177.9536 34 A 4.4498 8.1153 118.5503 51.5340 19.5987 178.0857 35 G 3.9520 9.6484 105.2096 45.1336 0.0000 172.7839 36 F 4.6950 7.0838 112.6243 56.1544 40.0011 172.9743 37 V 4.1351 8.2899 121.3103 60.2168 31.9686 173.7189 38 P 4.9568 0.0000 0.0000 63.3199 31.8925 177.3435 39 N 4.6494 10.3621 121.2965 55.8167 38.4317 177.8859 40 V 3.2574 8.1165 120.7639 64.7879 31.4703 178.0251 41 F 4.3361 8.2559 118.8220 60.3528 38.6179 177.8094 42 L 4.2951 8.1534 116.7623 58.0005 41.9788 179.1497 43 T 4.1685 8.1044 109.7747 64.3174 68.8554 176.2539 44 L 4.2450 8.1394 120.0138 55.7160 41.7035 178.1513 45 A 4.1635 7.7122 118.9831 53.9688 18.4329 178.4513 46 H 4.4389 7.7925 115.6703 57.5849 30.9396 175.1276 47 R 4.4927 7.7204 119.3845 52.3799 30.7980 173.5597 48 P 4.3144 0.0000 0.0000 65.8447 31.3991 177.6490 49 D 4.4373 8.1081 116.8150 56.9698 40.7001 178.5818 50 E 4.0576 8.1601 119.0061 59.1434 29.7083 178.2674 51 F 4.1270 8.6939 121.2182 61.7147 39.3586 177.2765 52 R 4.2113 8.7078 117.2252 59.6701 29.9736 179.0650 53 A 4.0936 7.9741 120.4266 54.8285 18.2938 179.4231 54 F 3.9747 8.6107 119.6692 61.7328 39.5451 177.5461 55 F 4.4501 8.2230 116.8269 59.8710 38.6520 177.7885 56 A 4.0076 8.1096 121.0489 55.2025 18.2306 178.9481 57 Y 3.6946 7.8978 118.0046 60.9569 38.6041 177.3199 58 H 3.3079 7.4191 117.9704 59.5017 29.9349 176.3197 59 D 4.5989 8.0768 118.5961 57.4683 40.7364 178.4548 60 A 4.1594 7.8630 120.2198 54.8206 18.3968 178.6989 61 L 4.2913 7.4240 114.7579 55.5020 41.8527 177.8089 *63 L 4.3102 7.6902 118.3639 53.7622 43.4970 177.2373 64 K 4.2078 7.7972 117.6460 56.5327 33.2562 176.0645 65 D 4.5368 8.4317 120.3654 54.0193 41.5028 176.2321 66 G 4.0256 7.9694 111.0155 45.1244 0.0000 173.3558 67 G 3.9023 8.7524 106.8601 46.9945 0.0000 174.0558 68 L 4.6431 7.7405 120.2274 53.9127 42.8834 177.3249 69 T 4.1733 9.0819 114.7208 61.2291 70.3235 175.8696 70 K 4.0277 8.3935 121.1608 59.9355 32.3246 179.4746 71 G 3.9158 7.8348 107.1486 46.9089 0.0000 175.1169 72 E 4.1678 8.2241 120.2589 59.3713 29.5556 179.2326 73 R 4.1233 7.9718 117.9380 59.1328 30.0837 179.2441 74 E 3.9766 7.8166 116.5502 56.6538 29.7096 179.2005 *76 I 3.9016 7.7522 121.2767 61.4396 39.4301 178.3028 77 V 3.1915 7.1945 119.2022 65.9818 31.1515 178.3166 78 V 3.4722 7.8673 117.8180 65.6729 31.1009 177.8646 79 A 3.9291 7.7057 119.4992 55.2891 18.5906 179.2904 80 T 3.9179 7.7230 108.3176 65.1074 68.9488 177.0640 81 S 4.5240 8.5872 119.7221 60.5709 62.7798 176.6221 82 A 3.9426 8.1097 123.2580 55.1077 17.8924 179.5908 83 A 3.9614 7.7699 119.4554 54.9288 18.5641 177.9665 84 N 4.6593 8.1076 110.3236 52.5560 39.0287 174.6994 85 Q 3.3026 7.6473 116.3591 56.8284 27.0913 174.8111 86 C 4.9882 8.1222 120.0779 57.6459 31.8082 172.1768 87 L 3.9163 8.4320 130.4995 58.3469 41.7630 177.9379 88 Y 3.9637 7.9969 118.7582 61.1172 38.8749 177.7553 89 C 4.2403 8.2219 117.1586 62.5590 28.3484 176.1124 90 V 3.4711 7.7320 119.9703 65.8868 31.2106 178.3001 91 V 3.1738 7.2653 117.3976 65.7401 30.8475 177.6314 92 A 2.5800 7.2561 120.5461 55.0083 18.0137 179.1158 93 H 4.3082 7.9852 113.3929 57.4511 28.8773 178.2240 94 G 3.4626 7.7751 108.2114 47.4586 0.0000 175.6092 95 A 3.9943 7.6241 122.8165 55.0652 18.4085 179.7633 96 I 3.3802 7.2287 117.1211 64.2355 37.0864 178.3250 97 L 3.9481 8.1315 121.4788 58.3724 41.8199 179.1429 98 R 4.0810 8.0367 117.8295 59.4371 29.9846 179.2173 99 I 3.7196 7.5827 119.0575 64.5250 36.9140 178.1339 100 Y 4.5460 7.7205 116.2567 61.4216 37.6493 178.2452 101 E 4.1222 8.6605 118.5222 56.5930 30.0404 176.8947 102 K 3.7886 7.5871 116.3264 57.1421 29.8488 177.3758 103 K 4.4747 7.8659 117.4516 53.9949 34.0080 175.8506 104 P 4.3083 0.0000 0.0000 64.6718 31.6136 177.6938 105 L 4.4697 7.7916 117.2159 55.9144 42.9418 178.9484 106 V 3.7907 7.6033 118.6708 64.6193 31.0663 178.2559 107 A 3.9454 7.9716 120.8193 55.2579 18.3198 179.0962 108 D 4.3474 8.1053 116.7678 57.6486 40.7835 179.0812 109 Q 3.9829 7.8507 118.4960 59.0398 28.5385 178.9648 110 V 3.6709 7.9780 118.1758 65.6862 31.5727 177.7080 111 A 4.1214 7.8662 120.1757 54.7842 18.3427 179.4253 112 V 3.9963 7.5536 115.5090 64.6004 32.9081 176.6740 113 N 4.7940 8.3251 119.2109 52.4131 40.4833 173.7268 114 Y 4.2184 8.5402 123.0696 59.2086 38.3769 179.5609 115 L 3.6900 7.4218 119.6437 56.8474 41.7347 177.6604 116 K 4.4939 7.9710 117.1339 55.9508 32.6011 176.0292 117 A 4.7370 7.4958 120.7205 51.0711 20.6591 178.8930 118 D 4.7647 9.1953 122.1284 53.0645 39.1558 176.0962 119 I 4.7207 7.1751 113.2179 57.1009 41.4884 174.7764 120 P 4.5306 0.0000 0.0000 61.8925 33.3083 175.4157 121 P 4.2341 0.0000 0.0000 66.0302 30.9272 178.6160 122 R 3.8308 8.0498 115.4408 59.7876 30.0124 178.0287 123 Q 4.2821 8.0115 115.7364 58.2586 29.1450 177.9695 124 R 4.2500 7.9511 119.9711 59.1000 30.1848 179.1251 125 A 4.2693 8.3484 118.4486 52.7879 18.2816 179.0341 *127 L 4.0111 7.9574 122.7964 56.3257 44.0245 179.3160 128 D 4.3963 8.2667 118.7968 57.3335 40.6186 178.5410 129 F 4.1016 8.1626 120.8141 61.0095 39.3738 176.8340 130 A 3.7754 7.9449 119.9399 55.3852 18.2208 179.4881 131 L 3.9522 7.8855 117.3271 57.5742 41.3537 179.7538 132 K 3.7626 7.5971 119.2698 59.3910 31.9891 178.7049 133 V 3.3800 7.1713 117.7070 66.2875 31.3456 177.1623 134 C 4.1247 8.2254 117.0381 61.8198 31.4895 174.7917 135 K 4.5358 7.8468 116.1986 55.8863 34.5849 176.5218 136 A 4.7095 9.0162 124.6386 50.2035 19.5551 177.8891 137 S 4.0367 8.2523 118.5914 62.1065 63.3532 176.6498 138 H 4.2215 8.1977 115.2279 57.9682 28.2947 175.6373 139 E 4.2896 7.6273 117.9189 55.9865 29.4876 176.4469 140 V 3.9373 7.4336 120.5792 62.7814 32.1551 174.7476 141 N 5.2171 9.0311 123.0939 50.3913 40.7841 174.8918 142 E 4.2311 9.0270 116.4740 59.7045 29.3019 179.1996 143 A 4.2202 7.8144 120.3281 55.5323 17.9480 179.4833 144 D 4.3414 8.4653 117.3828 57.4512 40.7956 179.0011 145 F 3.9151 8.0761 117.9288 60.3299 39.1558 177.4337 146 E 3.9815 8.7545 118.4752 59.3124 29.0608 178.9905 147 A 4.0500 7.8681 119.5592 55.5372 18.8441 179.4696 148 L 4.2472 7.5842 116.7671 57.8646 41.5666 179.7410 149 R 4.1950 8.2392 119.6906 58.8552 29.8300 178.5437 150 E 3.8520 7.7781 116.4517 59.7116 29.5145 178.3943 151 H 4.6658 7.9565 112.6739 54.9135 29.1620 175.1734 152 G 3.5407 8.6372 108.9392 46.7693 0.0000 174.3027 153 F 5.0312 8.1476 118.7144 54.5629 39.9657 176.1127 154 T 4.1422 8.4937 116.8877 61.3168 70.7903 174.6097 155 D 4.5199 8.6794 120.4517 57.6623 40.8278 179.0261 156 E 4.0855 8.1990 118.6523 59.5908 29.3369 178.9445 157 D 4.5054 8.1646 118.2995 57.0930 40.8629 178.6883 158 A 3.8619 8.2758 121.6059 54.7636 18.4408 179.1255 159 W 4.2785 8.5216 126.9721 61.1457 30.6224 177.8300 160 D 4.6567 8.3365 118.0764 57.5351 40.2062 178.9678 161 I 3.7018 7.9276 120.0246 64.3673 37.1036 178.4104 162 A 3.8694 8.3327 121.4205 54.8433 18.0900 179.5864 163 A 3.8832 8.5891 119.6340 55.3777 18.4848 179.6074 164 I 3.8353 8.0778 118.6226 65.1822 37.1487 178.5243 165 T 3.8268 8.0756 116.0019 66.7795 67.9977 176.4593 166 A 3.8912 8.5817 122.7087 55.1017 18.4330 179.5101 167 F 3.6814 8.2928 119.4380 61.2047 39.3573 177.0420 168 F 3.8795 8.5581 116.6127 58.8825 38.7427 178.0334 169 G 3.4543 7.6500 106.6423 47.4110 0.0000 175.4960 170 L 3.7329 6.9618 121.5236 57.9146 42.1727 178.4312 171 S 4.1409 6.9883 111.4222 61.7552 62.3218 175.7634 172 N 4.5601 8.2960 119.1977 56.1145 38.2379 177.4067 173 R 4.1960 7.7722 117.0729 56.6798 29.7080 178.3339 *175 A 4.1628 7.9303 123.7405 52.4042 20.8715 179.7372 176 N 4.3942 8.3684 113.2230 56.8872 38.8755 177.8236 177 T 3.8790 7.8288 113.7824 66.4003 68.6614 175.3928 178 I 4.2074 7.8309 112.2851 60.0120 38.3875 174.3446 179 G 4.1487 7.4329 112.0082 45.1574 0.0000 173.3476 *181 R 4.2324 8.2043 119.7361 55.1286 31.0436 173.4228 182 P 4.8433 0.0000 0.0000 62.1823 32.5915 175.9063 183 N 4.6887 9.2033 118.8788 53.2761 39.5480 175.6882 184 D 4.5236 8.9441 121.9587 57.8454 40.5123 178.8729 185 E 3.7273 7.8918 118.2997 59.7848 29.0119 179.5030 186 F 4.5163 7.7453 116.4636 60.5121 38.9477 177.4422 187 F 4.2867 8.4469 116.8788 58.7754 40.0034 175.6664 188 L 4.4221 7.5748 120.9128 53.1887 40.4571 176.6587 *190 G 3.9942 7.8863 107.5440 44.5303 0.0000 171.7656 191 R 3.9757 7.8406 119.1233 57.9427 30.3201 176.7674 192 V 4.2096 7.4680 117.3853 60.5139 32.4044 173.4710 193 P 4.4329 0.0000 0.0000 62.9175 31.0335 176.0009 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 A 8.26 4.29 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 6 H 8.48 4.32 0.00 3.28 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.50 0.00 2.07 2.00 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 8 I 8.16 4.28 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 1.01 0.00 0.00 9 S 7.35 4.69 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.97 4.02 0.00 1.86 1.90 0.00 3.25 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.45 0.00 11 Y 7.53 4.33 0.00 2.93 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 12 P 0.00 4.27 0.00 2.17 2.05 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 13 V 8.09 4.29 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 0.97 0.00 0.00 0.99 0.00 0.00 14 P 0.00 4.47 0.00 2.21 2.05 0.00 4.05 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 15 E 8.49 4.24 0.00 2.02 1.91 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 2.41 2.28 0.00 16 L 8.81 3.90 0.00 1.67 1.72 0.91 0.68 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 17 A 8.13 3.94 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 18 A 7.74 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.06 4.36 0.00 1.68 1.48 0.81 0.85 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 20 P 0.00 4.35 0.00 2.24 1.96 0.00 3.49 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 2.06 2.12 0.00 21 D 8.59 4.36 0.00 2.77 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 22 D 8.07 4.42 0.00 2.95 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 23 I 7.59 3.72 1.85 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 1.39 0.47 0.10 0.00 0.00 24 R 7.79 3.88 0.00 2.05 1.97 0.00 3.10 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 25 Q 8.16 3.98 0.00 2.28 2.15 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 2.37 2.59 0.00 26 R 7.84 3.89 0.00 1.94 2.26 0.00 3.08 0.00 0.00 2.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 27 I 7.74 3.41 1.96 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 1.70 1.01 0.87 0.00 0.00 28 L 8.35 3.98 0.00 1.63 1.67 0.92 0.80 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 29 E 8.22 3.87 0.00 2.12 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 2.25 2.28 0.00 30 V 7.17 3.53 1.51 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 -0.02 0.00 0.00 0.71 0.00 0.00 31 Q 7.65 4.06 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 32 D 7.53 4.26 0.00 2.78 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 33 K 7.61 4.01 0.00 1.72 1.90 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.46 7.81 34 A 8.12 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.65 3.95 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 0.00 36 F 7.08 4.69 0.00 3.13 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 37 V 8.29 4.14 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 0.88 0.00 0.00 0.97 0.00 0.00 38 P 0.00 4.96 0.00 2.82 2.67 0.00 3.58 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.98 0.00 39 N 10.36 4.65 0.00 3.18 3.04 0.00 0.00 6.43 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 40 V 8.12 3.26 1.83 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 0.86 0.00 0.00 0.52 0.00 0.00 41 F 8.26 4.34 0.00 3.36 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 42 L 8.15 4.30 0.00 1.75 1.83 1.03 0.95 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 43 T 8.10 4.17 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 1.31 0.00 0.00 44 L 8.14 4.24 0.00 1.84 1.68 -0.57 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.71 4.16 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 46 H 7.79 4.44 0.00 3.42 3.45 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.72 4.49 0.00 1.78 1.80 0.00 3.32 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 48 P 0.00 4.31 0.00 2.15 2.07 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 49 D 8.11 4.44 0.00 2.72 2.76 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 50 E 8.16 4.06 0.00 2.21 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 2.43 2.39 0.00 51 F 8.69 4.13 0.00 3.32 3.29 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 52 R 8.71 4.21 0.00 2.04 2.13 0.00 3.27 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 1.90 2.11 0.00 53 A 7.97 4.09 1.38 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 0.00 0.00 0.00 54 F 8.61 3.97 0.00 3.03 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 55 F 8.22 4.45 0.00 3.10 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.11 4.01 1.38 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 0.00 0.00 0.00 57 Y 7.90 3.69 0.00 2.92 1.64 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 58 H 7.42 3.31 0.00 2.76 3.39 0.00 5.82 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 59 D 8.08 4.60 0.00 2.96 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 60 A 7.86 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.42 4.29 0.00 1.73 1.76 0.81 1.18 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 *63 L 7.69 4.31 0.00 1.80 1.80 1.00 1.04 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 64 K 7.80 4.21 0.00 1.86 1.98 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.64 1.47 7.81 65 D 8.43 4.54 0.00 2.94 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 66 G 7.97 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 67 G 8.75 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 0.00 0.00 0.00 68 L 7.74 4.64 0.00 1.70 1.67 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 T 9.08 4.17 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 1.26 0.00 0.00 70 K 8.39 4.03 0.00 1.48 1.85 0.00 0.77 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.15 0.50 7.81 71 G 7.83 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 0.00 0.00 0.00 72 E 8.22 4.17 0.00 2.27 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 2.42 2.41 0.00 73 R 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0.00 0.00 0.00 2.47 2.48 0.00 124 R 7.95 4.25 0.00 1.99 2.13 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 125 A 8.35 4.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 L 7.96 4.01 0.00 1.34 0.82 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.27 4.40 0.00 2.95 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 0.00 129 F 8.16 4.10 0.00 2.91 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 0.00 130 A 7.94 3.78 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 0.00 131 L 7.89 3.95 0.00 1.82 1.69 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.60 3.76 0.00 1.70 1.63 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.32 7.81 133 V 7.17 3.38 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 0.64 0.00 0.00 0.10 0.00 0.00 134 C 8.23 4.12 0.00 2.93 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 0.00 135 K 7.85 4.54 0.00 1.69 1.76 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.52 7.81 136 A 9.02 4.71 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 0.00 137 S 8.25 4.04 0.00 3.90 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 0.00 138 H 8.20 4.22 0.00 3.28 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.63 4.29 0.00 2.00 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 0.00 2.18 1.74 0.00 140 V 7.43 3.94 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 0.90 0.00 0.00 0.72 0.00 0.00 141 N 9.03 5.22 0.00 3.02 2.93 0.00 0.00 6.68 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 0.00 142 E 9.03 4.23 0.00 2.07 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 2.46 2.36 0.00 143 A 7.81 4.22 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 0.00 144 D 8.47 4.34 0.00 2.84 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 0.00 145 F 8.08 3.92 0.00 3.19 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 0.00 146 E 8.75 3.98 0.00 2.19 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 2.38 2.53 0.00 147 A 7.87 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.25 0.00 1.78 1.79 -0.29 0.48 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 0.00 149 R 8.24 4.20 0.00 2.03 2.02 0.00 3.20 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 150 E 7.78 3.85 0.00 2.21 1.91 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 2.33 2.39 0.00 151 H 7.96 4.67 0.00 3.38 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.64 3.54 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 0.00 0.00 0.00 153 F 8.15 5.03 0.00 3.20 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 0.00 154 T 8.49 4.14 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 1.24 0.00 0.00 155 D 8.68 4.52 0.00 2.75 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 0.00 156 E 8.20 4.09 0.00 2.00 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 2.40 2.30 0.00 157 D 8.16 4.51 0.00 3.08 2.96 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 0.00 0.00 0.00 0.00 158 A 8.28 3.86 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 0.00 159 W 8.52 4.28 0.00 3.57 3.31 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 0.00 160 D 8.34 4.66 0.00 3.05 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 0.00 161 I 7.93 3.70 2.17 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.96 0.00 0.00 162 A 8.33 3.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.59 3.88 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 I 8.08 3.84 1.96 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 1.64 0.85 0.91 0.00 0.00 165 T 8.08 3.83 4.28 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 1.15 0.00 0.00 166 A 8.58 3.89 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 0.00 167 F 8.29 3.68 0.00 2.46 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 0.00 168 F 8.56 3.88 0.00 3.16 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 0.00 169 G 7.65 3.45 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 0.00 0.00 0.00 170 L 6.96 3.73 0.00 1.40 1.47 0.83 0.78 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 0.00 171 S 6.99 4.14 0.00 2.98 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.30 4.56 0.00 2.90 2.83 0.00 0.00 7.08 7.33 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 0.00 173 R 7.77 4.20 0.00 1.99 1.88 0.00 3.08 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 *175 A 7.93 4.16 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 0.00 176 N 8.37 4.39 0.00 2.80 2.88 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 7.83 3.88 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 1.26 0.00 0.00 178 I 7.83 4.21 2.11 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 1.33 1.24 0.88 0.00 0.00 179 G 7.43 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *181 R 8.20 4.23 0.00 1.92 2.04 0.00 3.47 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 182 P 0.00 4.84 0.00 2.25 1.82 0.00 4.06 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.04 0.00 183 N 9.20 4.69 0.00 2.69 2.81 0.00 0.00 7.11 8.08 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 0.00 184 D 8.94 4.52 0.00 2.68 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 0.00 185 E 7.89 3.73 0.00 1.16 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 1.53 2.06 0.00 186 F 7.75 4.52 0.00 3.06 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 F 8.45 4.29 0.00 3.10 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 0.00 188 L 7.57 4.42 0.00 1.80 1.56 0.94 1.02 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 *190 G 7.89 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 0.00 0.00 0.00 191 R 7.84 3.98 0.00 1.94 2.02 0.00 3.35 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 192 V 7.47 4.21 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 0.84 0.00 0.00 0.94 0.00 0.00 193 P 0.00 4.43 0.00 2.09 1.99 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.