NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.3934 8.2649 123.5842 52.1478 19.9556 176.1331 15 Q 4.3502 8.2431 119.3747 53.2376 32.8351 173.4344 16 A 4.1878 9.3013 125.6621 51.3225 20.2985 175.8779 17 P 4.3352 0.0000 0.0000 63.0112 33.1881 178.2290 18 V 3.6546 8.4651 121.5501 65.0568 31.1851 178.5089 19 S 4.1629 8.1515 113.1638 61.5052 62.2596 175.8451 20 D 4.5198 8.1534 120.9597 57.3966 40.6399 178.8715 21 R 3.9587 8.2205 118.4604 59.0707 30.0950 178.8960 22 A 3.9028 8.4696 120.9066 55.1376 18.4200 179.8643 23 W 4.3478 8.3642 117.1412 59.5610 28.9744 178.7429 24 A 4.1298 8.3720 121.2057 54.9884 17.9648 179.3364 25 L 3.8956 8.0943 118.8557 58.2137 42.2064 178.8184 26 F 4.0988 8.2476 120.4891 61.6509 39.2873 177.3757 27 R 3.9963 8.8916 117.7373 59.0656 29.6165 178.9010 28 A 3.9719 8.2012 120.2577 55.1119 18.8018 179.4493 29 L 4.0183 7.6900 116.9645 57.8639 41.8346 179.0625 30 D 4.2139 8.1475 118.4735 57.1523 40.8623 178.2377 31 G 3.7753 8.1779 104.5480 46.2038 0.0000 174.6197 32 K 4.5046 7.5011 118.8916 55.5475 32.5195 176.8745 33 G 3.8720 7.7480 107.0819 46.0786 0.0000 174.7106 34 L 4.1631 7.6916 117.6086 54.6497 42.1629 176.5749 35 V 4.0683 7.2431 118.5507 59.9130 32.9563 173.2857 36 P 4.4268 0.0000 0.0000 62.3053 31.8967 175.7678 37 D 4.5853 8.6305 120.5174 56.1620 41.2594 177.2264 38 G 4.1953 9.1543 110.4728 46.4926 0.0000 174.6830 39 Y 3.9730 8.1771 121.3522 60.9143 38.7804 178.6851 40 V 3.9119 8.1583 112.7750 64.2309 31.7510 178.3592 41 E 4.0649 8.3318 118.3586 59.3061 29.3835 179.4055 42 G 3.3519 8.1407 105.7604 47.5140 0.0000 175.8360 43 W 3.5361 7.7357 121.5648 58.9543 28.9314 178.4097 44 K 4.0056 8.2642 119.8677 59.4482 31.5194 178.7021 45 K 3.8262 7.9002 119.7302 59.6893 32.0822 178.7589 46 T 3.6263 7.4691 115.8853 66.7388 68.0751 176.6140 47 F 4.2630 7.6678 118.4110 60.4431 38.9483 177.1472 48 E 4.2553 8.2539 117.2209 58.0624 29.6104 177.7907 49 E 4.5321 8.3665 116.8531 56.5405 31.6126 176.8554 50 D 4.5574 7.7005 116.9456 56.1241 41.8889 176.9264 51 F 4.7496 7.8879 118.2033 57.9376 39.2688 174.9786 52 S 4.6209 8.4232 119.4341 55.2997 65.6032 173.4220 53 P 4.6442 0.0000 0.0000 65.0810 31.0951 178.7590 54 R 3.8723 8.0459 118.6547 59.1144 29.8350 179.1041 55 R 3.7550 7.8590 118.2742 59.1168 30.0078 179.1307 56 G 3.5734 7.8739 105.1248 47.7375 0.0000 175.4613 57 A 3.8511 8.1503 123.2270 54.8153 18.3891 179.2470 58 E 3.7804 8.0670 117.7943 59.3970 29.6007 179.1255 59 L 3.6614 7.6758 118.9203 57.6026 41.5905 179.6606 60 V 3.1808 7.6899 117.9446 65.8103 31.1096 177.9082 61 A 3.9359 7.8487 120.6917 55.0228 18.2837 179.6171 62 R 3.8110 8.0032 116.9505 59.5891 29.9527 178.6147 63 A 4.3227 8.0948 119.4548 55.1779 18.4325 179.4054 64 W 4.6145 8.4933 117.1835 59.1484 29.2030 177.7226 65 T 4.8402 7.6091 106.7166 60.7921 69.9266 174.2695 66 D 4.6990 8.1509 121.1384 50.8185 42.1931 173.2249 67 P 4.3276 0.0000 0.0000 65.4945 31.3600 177.9417 68 E 3.9899 8.3112 116.7645 59.4419 29.5207 178.9908 69 F 4.1121 8.4857 120.3147 61.0404 39.4653 176.9015 70 R 3.8713 8.3621 118.6154 59.6595 29.7288 178.1816 71 Q 3.9300 8.0640 119.0821 59.0437 29.0443 178.0201 72 L 3.7965 7.7290 121.2989 58.0643 42.1900 178.6223 73 L 3.6922 7.9072 120.5053 57.9645 41.7309 178.5743 74 L 4.2612 7.7929 117.2854 56.2999 41.8136 178.1390 75 T 4.5155 7.3069 108.4036 61.7871 71.5123 174.4525 76 D 4.5737 8.5073 121.0204 50.7760 41.8295 175.1096 77 G 3.7529 8.1025 111.8156 46.5969 0.0000 172.2033 78 T 3.7260 7.5871 117.3250 66.3518 68.5023 176.3362 79 A 3.9292 8.1006 122.2263 54.9410 18.0120 179.4999 80 A 3.9051 7.8876 119.2905 55.4571 18.5032 180.1220 81 V 3.8847 8.1528 116.8441 66.0616 31.5830 178.0479 82 A 4.0607 8.3511 120.7942 55.2148 17.9361 179.5275 83 Q 3.9178 7.9721 115.8017 59.1729 28.8887 177.3801 84 Y 3.6600 7.5159 113.6247 57.8055 38.1771 176.0003 85 G 3.8095 7.9109 107.8614 46.8442 0.0000 173.7416 86 Y 5.0192 7.6630 114.3346 57.2865 38.3021 176.4251 87 L 4.3238 8.0861 120.1292 55.0351 42.5325 176.6598 88 G 4.0823 8.1816 107.9195 44.9954 0.0000 170.7354 89 P 4.5590 0.0000 0.0000 64.4256 31.9300 176.2960 90 Q 3.1647 8.6348 119.9337 56.3381 26.6971 174.5731 91 G 4.3741 7.7157 100.6065 44.7375 0.0000 175.4191 92 E 4.2893 8.1766 117.8388 56.4182 31.5642 175.8538 93 Y 4.4622 7.7610 119.1432 55.8410 40.9578 173.9363 94 I 4.7932 8.0608 128.1311 59.3738 40.1715 175.1277 95 V 4.5705 8.2967 125.6173 60.9692 34.3079 173.9130 96 A 5.0791 8.6029 129.4683 50.7803 20.6269 176.3463 97 V 4.3181 8.5934 115.1892 59.3923 34.7929 174.3506 98 E 4.9043 8.7189 126.4916 54.6975 30.3187 175.3389 99 D 4.9072 9.0033 127.9350 54.8475 42.4965 175.5635 100 T 4.7242 8.6873 111.0687 59.2674 72.5048 172.9321 101 P 4.3316 0.0000 0.0000 64.9903 31.4619 177.5606 102 T 4.5582 7.9253 106.4059 60.8064 69.3738 172.8793 103 L 5.1196 8.0673 124.6816 53.7678 45.8664 174.4428 104 K 5.0669 9.4526 127.8232 54.7973 34.4188 174.3795 105 N 5.5319 9.6041 125.3701 52.2323 41.0433 174.3644 106 V 4.8036 8.8564 121.1322 61.4902 35.4873 173.8282 107 I 5.2707 8.8390 127.8710 59.8311 39.6278 175.1702 108 V 4.4791 8.9103 124.0755 60.6540 34.7178 173.4926 109 C 5.2136 7.7990 119.0440 57.3256 32.1627 174.4362 110 S 4.3429 9.4889 121.8360 60.5579 62.9480 176.1566 111 L 4.0431 7.2214 120.7915 56.4121 41.8311 176.3246 *113 S 4.3294 7.6005 111.1357 58.2733 64.0458 172.6117 *115 T 4.0784 8.0812 114.9323 63.5236 69.4631 175.3196 116 A 4.8131 7.9826 127.1534 50.3566 16.6015 177.7565 117 W 4.6214 8.1935 123.5009 59.0005 29.7176 177.4625 118 P 3.8551 0.0000 0.0000 64.2452 31.2214 177.7757 119 I 4.1999 7.6264 109.6491 60.4857 39.1706 176.6434 120 L 4.3094 8.0621 119.5141 53.7970 42.8252 177.7112 121 G 4.1250 8.0843 103.0520 44.7710 0.0000 173.3149 122 L 3.7185 8.0600 118.8979 53.6003 42.0925 175.9511 123 P 4.0121 0.0000 0.0000 61.9634 32.0406 174.5415 124 P 4.3919 0.0000 0.0000 62.3081 32.3831 177.0611 125 T 3.8065 8.6502 116.7204 66.9452 68.3506 176.6002 126 W 4.2650 8.0655 117.7329 59.7827 27.8877 177.5588 127 Y 3.2190 6.5554 119.5053 59.5681 38.1764 176.8888 128 K 4.3063 7.4590 116.9261 55.9435 33.0937 177.4145 129 S 4.2592 7.3287 115.1289 57.7878 63.8719 175.3482 130 F 4.5620 8.5558 121.2876 60.9483 38.5799 177.7562 131 E 4.0488 8.3634 117.7348 59.7428 29.3946 178.7078 132 Y 4.1934 8.2064 119.3544 60.8805 38.7257 177.9404 133 R 3.8076 8.0743 117.6169 59.0824 30.1981 178.6134 134 A 4.1279 8.1135 119.8495 54.8370 18.8967 179.2689 135 R 4.1804 7.9436 116.3120 58.5767 30.1851 179.5073 136 V 3.6516 7.5312 118.8745 64.5336 31.0040 178.6462 137 V 3.5644 7.5911 117.9151 65.0167 31.4459 176.7729 138 R 4.3989 7.2268 114.0260 56.4186 32.3574 175.9979 139 E 4.7493 8.4862 116.0240 53.4543 29.5761 174.5570 140 P 4.2110 0.0000 0.0000 66.5541 31.8027 178.4185 141 R 3.8555 7.8884 118.0053 59.1003 30.0405 178.2926 142 K 3.9345 7.9474 118.9631 59.3452 32.3091 178.6111 143 V 3.5996 7.9649 118.6458 66.2012 31.4240 177.9067 144 L 3.9904 8.2610 118.9183 57.8246 41.4668 179.4495 145 S 4.3566 8.0985 114.2776 61.0544 62.1324 176.1858 146 E 4.0188 8.2010 119.9250 59.4301 29.2658 178.5759 147 M 4.2324 7.6663 116.6338 55.5487 32.2765 177.0419 148 G 4.0187 7.7543 107.5101 45.2912 0.0000 173.5386 149 T 4.3939 8.4829 117.5836 61.4940 69.7967 173.2028 150 E 4.2587 8.7170 127.0636 55.2210 30.1370 176.0780 151 I 4.2816 8.1394 125.1017 58.9762 38.7024 175.6400 152 A 4.1966 8.3743 128.5700 52.1248 18.8137 178.3405 153 S 4.2445 8.5233 116.0123 61.1391 63.0678 175.2066 154 D 4.7447 8.0280 118.3002 53.3062 39.1836 175.5048 155 I 4.7049 7.3281 119.8863 59.6157 40.1955 174.9011 156 E 4.1427 9.2998 129.2375 56.2189 30.6701 175.2735 157 I 4.8511 8.3239 127.6929 59.9812 39.1250 174.9322 158 R 4.4596 9.0199 127.1234 54.4941 32.7694 173.9829 159 V 4.7313 8.3181 126.5117 61.6713 33.1982 174.2690 160 Y 4.1960 9.1357 126.6932 56.6281 39.3282 174.1090 161 D 4.9781 8.5778 125.0964 53.4982 42.2726 176.9661 162 T 4.7428 9.1273 125.3603 62.9713 66.6204 174.6355 163 T 4.5025 8.4307 112.6611 61.3605 71.2545 175.4369 164 A 4.6242 7.3425 126.8968 52.1791 18.7587 177.9018 165 E 4.3801 8.6972 116.9539 58.9387 30.5398 176.3643 166 T 4.2221 7.7052 115.8752 63.8425 69.3122 173.7096 167 R 4.5077 8.8137 124.6878 54.5685 33.0538 174.4897 168 Y 5.9316 8.8996 120.9391 55.8713 40.6163 174.9023 169 M 4.9056 8.3087 117.8822 53.5520 35.2029 174.0652 170 V 4.2655 8.5333 121.4963 62.2801 33.0062 175.5673 171 L 4.4829 8.9341 131.4130 53.1436 42.1432 174.0697 172 P 5.2918 0.0000 0.0000 61.4672 32.7202 176.1123 173 Q 4.2805 8.6398 119.2108 55.9551 29.5401 176.1537 174 R 2.9099 8.0041 123.0708 54.0464 30.9400 174.5304 175 P 4.1862 0.0000 0.0000 61.8974 32.2023 175.7715 176 A 4.0594 8.0597 123.4739 53.8012 18.7020 178.0828 177 G 3.8782 8.9547 109.3998 45.4386 0.0000 174.3169 178 T 2.4800 6.7266 107.9481 60.2495 68.8927 173.9445 179 E 4.0330 7.6152 122.1444 58.2184 29.6826 177.4939 180 G 4.0801 8.9405 111.8057 45.0830 0.0000 173.7483 181 W 4.5916 7.9052 119.6499 56.5813 29.7656 176.7045 182 S 4.5613 9.3124 117.0724 57.9711 64.6738 175.5264 183 Q 4.0934 8.6334 121.1360 59.2326 28.2215 178.7904 184 E 3.9841 8.1642 118.6831 59.4315 29.6403 178.4094 185 Q 4.1042 8.2014 118.0824 59.0019 28.8727 178.8139 186 L 4.5964 8.5389 120.1728 58.0571 41.6817 179.4283 187 Q 4.0635 8.7040 118.4945 59.1595 28.3947 178.9165 188 E 4.1199 7.9449 117.7059 58.5632 29.5693 178.3315 189 I 4.5653 7.7074 110.4036 60.2025 38.5584 176.0285 190 V 3.9969 7.4829 121.3735 62.1864 30.7112 175.8017 191 T 4.4640 7.9690 118.4916 59.7666 71.9684 175.0653 192 K 3.8307 8.5313 121.1209 60.1801 32.0146 178.1958 193 D 4.6161 8.1795 118.1464 57.4703 40.5097 178.4247 194 C 4.7397 7.5513 118.3516 62.2869 28.3270 175.7280 195 L 4.1671 7.8633 120.3559 57.6835 41.1410 179.5272 196 I 3.9187 7.9466 120.1653 63.2116 36.9252 177.5457 197 G 4.3779 8.0674 104.7476 46.2238 0.0000 174.6675 198 V 3.9738 7.9118 111.6870 62.0556 32.3359 175.7536 199 A 4.8971 7.6752 121.5501 49.0690 21.9260 174.5543 200 I 4.6628 7.9925 120.3421 58.5143 39.3468 174.4101 201 P 4.4413 0.0000 0.0000 63.0356 31.8027 175.6792 202 Q 4.6387 8.4133 120.6667 53.8152 31.2710 175.4887 203 V 3.9210 8.2719 122.2681 61.4430 32.0270 174.0965 204 P 4.5024 0.0000 0.0000 63.3380 30.8771 175.9725 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 14 A 8.26 4.39 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 15 Q 8.24 4.35 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 16 A 9.30 4.19 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.34 0.00 2.32 2.04 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 2.24 2.19 0.00 18 V 8.47 3.65 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 0.88 0.00 0.00 0.91 0.00 0.00 19 S 8.15 4.16 0.00 4.01 4.01 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 20 D 8.15 4.52 0.00 2.95 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 21 R 8.22 3.96 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 22 A 8.47 3.90 1.09 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 23 W 8.36 4.35 0.00 3.58 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 24 A 8.37 4.13 1.49 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 0.00 0.00 25 L 8.09 3.90 0.00 1.80 1.89 0.93 0.70 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 26 F 8.25 4.10 0.00 3.17 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 27 R 8.89 4.00 0.00 1.99 2.06 0.00 3.31 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.34 0.00 28 A 8.20 3.97 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 29 L 7.69 4.02 0.00 1.71 1.61 0.91 0.68 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 30 D 8.15 4.21 0.00 1.65 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.18 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 0.00 0.00 0.00 32 K 7.50 4.50 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.55 7.81 33 G 7.75 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 34 L 7.69 4.16 0.00 1.69 1.65 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.24 4.07 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 1.03 0.00 0.00 0.81 0.00 0.00 36 P 0.00 4.43 0.00 2.37 2.01 0.00 3.08 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 37 D 8.63 4.59 0.00 2.71 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 38 G 9.15 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 0.00 0.00 0.00 0.00 39 Y 8.18 3.97 0.00 3.31 3.15 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 40 V 8.16 3.91 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.97 0.00 0.00 41 E 8.33 4.06 0.00 2.23 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 2.43 2.47 0.00 42 G 8.14 3.35 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 43 W 7.74 3.54 0.00 3.29 2.62 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 0.00 0.00 0.00 0.00 44 K 8.26 4.01 0.00 1.96 1.98 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.51 7.81 45 K 7.90 3.83 0.00 1.77 1.76 0.00 1.62 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.49 7.81 46 T 7.47 3.63 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 0.19 0.00 0.00 47 F 7.67 4.26 0.00 3.04 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 48 E 8.25 4.26 0.00 1.97 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 2.33 2.53 0.00 49 E 8.37 4.53 0.00 1.92 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 2.20 2.33 0.00 50 D 7.70 4.56 0.00 2.60 2.71 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 51 F 7.89 4.75 0.00 3.05 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 52 S 8.42 4.62 0.00 3.76 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 53 P 0.00 4.64 0.00 2.28 2.39 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.00 3.81 0.00 1.76 1.77 0.00 3.07 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 63 A 8.09 4.32 1.46 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 64 W 8.49 4.61 0.00 3.54 3.13 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 0.00 0.00 0.00 65 T 7.61 4.84 4.33 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 1.41 0.00 0.00 66 D 8.15 4.70 0.00 2.75 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 67 P 0.00 4.33 0.00 2.24 2.15 0.00 3.72 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 2.16 2.25 0.00 68 E 8.31 3.99 0.00 2.27 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 2.44 2.41 0.00 69 F 8.49 4.11 0.00 3.37 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 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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 1.21 0.00 0.00 79 A 8.10 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 3.91 1.02 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 0.00 0.00 81 V 8.15 3.88 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 1.12 0.00 0.00 1.01 0.00 0.00 82 A 8.35 4.06 1.41 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 83 Q 7.97 3.92 0.00 2.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 84 Y 7.52 3.66 0.00 2.84 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.91 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 86 Y 7.66 5.02 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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130 F 8.56 4.56 0.00 3.08 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 0.00 131 E 8.36 4.05 0.00 2.19 2.12 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 2.48 2.52 0.00 132 Y 8.21 4.19 0.00 3.36 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 0.00 133 R 8.07 3.81 0.00 1.99 2.14 0.00 3.28 0.00 0.00 3.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 134 A 8.11 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 4.18 0.00 2.00 1.97 0.00 3.16 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 136 V 7.53 3.65 1.39 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 0.09 0.00 0.00 0.90 0.00 0.00 137 V 7.59 3.56 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 0.79 0.00 0.00 0.82 0.00 0.00 138 R 7.23 4.40 0.00 1.84 1.87 0.00 3.23 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 139 E 8.49 4.75 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 140 P 0.00 4.21 0.00 2.29 2.48 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 141 R 7.89 3.86 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 142 K 7.95 3.93 0.00 1.86 2.01 0.00 1.78 0.00 0.00 2.14 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.50 7.81 143 V 7.96 3.60 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 1.15 0.00 0.00 0.98 0.00 0.00 144 L 8.26 3.99 0.00 1.93 1.93 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.10 4.36 0.00 3.96 4.02 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 0.00 146 E 8.20 4.02 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 2.35 2.52 0.00 147 M 7.67 4.23 0.00 1.79 2.12 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.36 0.00 148 G 7.75 4.02 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 0.00 0.00 0.00 149 T 8.48 4.39 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 1.23 0.00 0.00 150 E 8.72 4.26 0.00 1.95 1.89 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 2.27 2.26 0.00 151 I 8.14 4.28 1.88 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 1.37 0.87 0.92 0.00 0.00 152 A 8.37 4.20 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 0.00 153 S 8.52 4.24 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.03 4.74 0.00 2.78 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 0.00 155 I 7.33 4.70 2.02 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 1.26 0.68 0.97 0.00 0.00 156 E 9.30 4.14 0.00 2.03 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 2.30 2.28 0.00 157 I 8.32 4.85 1.87 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 1.25 0.72 0.93 0.00 0.00 158 R 9.02 4.46 0.00 1.80 1.91 0.00 3.14 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.26 0.00 159 V 8.32 4.73 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 0.80 0.00 0.00 0.90 0.00 0.00 160 Y 9.14 4.20 0.00 2.53 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 0.00 0.00 0.00 161 D 8.58 4.98 0.00 2.65 2.58 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 0.00 162 T 9.13 4.74 4.40 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 1.35 0.00 0.00 163 T 8.43 4.50 4.26 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 1.28 0.00 0.00 164 A 7.34 4.62 1.01 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 0.00 0.00 165 E 8.70 4.38 0.00 1.81 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 2.15 2.16 0.00 166 T 7.71 4.22 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 0.52 0.00 0.00 167 R 8.81 4.51 0.00 1.56 1.68 0.00 3.24 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 168 Y 8.90 5.93 0.00 2.84 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 0.00 169 M 8.31 4.91 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 170 V 8.53 4.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.10 0.00 0.00 171 L 8.93 4.48 0.00 1.77 1.59 0.78 0.73 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 0.00 172 P 0.00 5.29 0.00 2.37 2.17 0.00 3.36 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 173 Q 8.64 4.28 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 174 R 8.00 2.91 0.00 0.67 1.11 0.00 2.53 0.00 0.00 2.80 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 175 P 0.00 4.19 0.00 2.05 2.02 0.00 3.02 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 176 A 8.06 4.06 1.16 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 0.00 0.00 177 G 8.95 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 0.00 0.00 0.00 178 T 6.73 2.48 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 0.02 0.00 0.00 179 E 7.62 4.03 0.00 1.92 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 2.24 2.25 0.00 180 G 8.94 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 0.00 0.00 0.00 181 W 7.91 4.59 0.00 3.36 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 0.00 182 S 9.31 4.56 0.00 4.06 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 0.00 183 Q 8.63 4.09 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 184 E 8.16 3.98 0.00 1.96 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 2.30 2.48 0.00 185 Q 8.20 4.10 0.00 2.37 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 186 L 8.54 4.60 0.00 2.11 2.19 1.26 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 8.70 4.06 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 188 E 7.94 4.12 0.00 2.20 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 2.37 2.62 0.00 189 I 7.71 4.57 2.18 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 1.94 0.89 1.30 0.00 0.00 190 V 7.48 4.00 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 0.69 0.00 0.00 0.77 0.00 0.00 191 T 7.97 4.46 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 1.26 0.00 0.00 192 K 8.53 3.83 0.00 1.86 1.93 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.70 7.81 193 D 8.18 4.62 0.00 2.78 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 0.00 194 C 7.55 4.74 0.00 3.11 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 0.00 195 L 7.86 4.17 0.00 1.90 1.70 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 196 I 7.95 3.92 2.10 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 1.28 0.00 0.00 197 G 8.07 4.38 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 0.00 198 V 7.91 3.97 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 1.03 0.00 0.00 0.99 0.00 0.00 199 A 7.68 4.90 1.24 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 0.00 0.00 0.00 200 I 7.99 4.66 1.90 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 1.46 0.72 0.94 0.00 0.00 201 P 0.00 4.44 0.00 2.19 2.38 0.00 3.74 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 2.56 2.34 0.00 202 Q 8.41 4.64 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 203 V 8.27 3.92 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 0.97 0.00 0.00 0.78 0.00 0.00 204 P 0.00 4.50 0.00 2.29 2.13 0.00 4.32 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.