NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7668 8.3544 109.7363 45.2701 0.0000 173.3400 *2 N 4.4631 8.4321 119.0700 53.0578 40.7763 175.0667 3 R 3.9913 8.5949 127.6280 59.7008 30.3317 178.8641 4 G 3.6257 8.1479 104.8816 47.7360 0.0000 175.3681 5 K 4.0056 8.7143 122.1199 58.9503 32.2264 178.6917 6 A 4.1698 8.2300 121.1515 55.4379 18.4409 179.5771 7 L 3.9751 8.1587 117.6275 58.0657 41.4441 179.6812 8 Q 3.9872 7.9899 118.7051 59.0752 29.0518 177.9210 9 L 4.2986 8.1700 119.9765 57.6993 41.9202 179.4560 10 V 4.1273 7.9612 119.2485 64.4250 31.4993 178.1812 11 K 3.7871 8.0521 120.2756 59.0881 31.7231 176.7832 12 P 4.3424 0.0000 0.0000 64.6703 31.3129 177.0572 13 H 4.7528 8.0529 113.9004 54.6680 29.2619 174.4902 14 L 5.2272 7.2543 120.5423 52.4035 45.3868 176.9806 15 T 4.1836 8.1911 111.5661 60.8658 71.1200 175.3396 16 E 3.9612 8.6128 121.5376 59.8393 29.5805 178.1675 17 H 4.0961 8.2944 117.6302 59.5255 29.8528 177.0354 18 R 4.0589 8.1067 119.9507 59.2897 29.9068 177.8253 19 Y 4.1159 8.4460 119.8258 60.8729 38.8438 178.0102 20 Q 3.8370 8.4937 119.3072 59.0788 28.6844 178.3008 21 H 4.2743 8.0845 120.5336 59.0291 29.6693 177.3962 22 T 3.7684 7.7105 116.2188 66.6680 68.3422 176.1817 23 I 3.7481 7.2917 120.5876 64.3148 37.2957 178.3972 24 G 3.7232 7.8897 106.3751 47.6064 0.0000 176.7400 25 V 3.7942 7.6996 118.3930 63.2075 31.2773 177.4328 *27 E 4.2140 8.1357 118.2166 56.2875 31.1124 178.4407 28 T 3.8848 8.1945 115.3617 66.5184 68.3219 176.7086 29 A 4.1005 8.6980 123.3700 55.0595 18.2842 179.7880 30 I 3.6504 7.6734 117.8036 64.6534 37.2723 178.0288 31 D 4.3683 8.0129 119.6521 57.6482 40.7110 179.1450 32 L 4.1252 8.2737 119.1350 57.6206 41.5111 179.4085 33 A 4.0946 8.4688 121.2825 55.0247 18.4592 179.8892 34 K 3.8881 8.3341 117.2173 59.6364 31.9776 179.4290 35 L 3.8781 7.8619 119.1936 57.2870 41.9547 177.0327 36 Y 4.5942 7.6947 113.3522 57.1169 38.4234 175.6008 37 G 3.7885 7.7383 106.1704 46.6166 0.0000 174.2109 38 A 4.3976 7.9986 121.9412 50.3240 20.2726 178.3454 39 D 4.4013 8.4412 118.6453 54.6054 41.9167 177.2557 40 Q 4.0991 8.6959 127.3554 58.8850 28.8329 178.6590 41 Q 4.0137 8.1706 119.0234 58.8459 28.8341 178.5098 42 K 4.0536 8.4815 119.4124 59.0814 31.9562 179.3860 43 A 3.9661 8.0204 121.1670 55.0974 18.3966 178.8944 44 E 3.8468 8.2788 117.9813 59.6291 29.6009 178.9591 45 L 4.0299 8.0957 119.6626 58.1416 42.2078 178.6484 46 A 4.0783 8.3206 120.6668 55.1349 18.0820 179.3521 47 A 3.9107 8.0386 118.2939 55.4831 18.5449 179.5679 48 I 3.6954 7.6247 116.8958 63.9989 37.4880 177.8047 49 F 4.8075 7.9115 115.8765 57.2866 38.9228 177.2747 50 H 4.1960 8.0916 115.5408 58.4711 28.3655 176.0728 51 D 4.8377 7.5593 117.9487 53.8397 41.0430 177.4754 52 Y 4.1352 8.0981 123.4708 60.5712 38.9600 177.0173 53 A 4.5015 8.0665 119.8105 51.5780 19.5075 178.0390 54 K 3.3858 7.8040 119.7063 59.1683 32.0117 177.5523 55 F 4.9507 7.5277 113.7509 57.1175 39.3773 175.6726 56 R 4.1594 7.7628 120.1720 55.3771 30.4596 176.0446 57 D 4.4184 8.4779 119.5162 54.4538 41.4686 176.5452 58 K 4.1831 8.7553 126.6181 59.5972 32.7047 178.2245 59 N 4.4945 8.2928 116.0656 56.4118 38.7841 177.3435 60 E 4.1890 8.7984 115.8889 56.9949 29.0769 178.9817 *62 R 4.1957 8.0996 120.3602 56.6832 32.3843 178.1898 63 T 3.8236 8.0337 114.4657 66.3757 68.3671 176.3130 64 L 3.7545 8.0183 122.3404 58.1679 41.9196 178.9147 65 I 3.5226 7.5891 118.9813 64.5021 36.8610 178.2852 66 R 4.4477 7.4871 118.3047 59.0946 30.0695 178.8195 67 E 4.1639 8.5198 116.9513 58.3577 29.6092 178.0127 68 K 4.3986 8.4443 115.6080 55.7860 34.5748 176.1378 69 L 4.4840 7.1955 117.6730 52.9284 43.1534 176.1053 70 S 4.1828 7.9865 114.0673 61.0314 62.4565 174.6191 71 Q 4.3159 7.7050 127.5455 55.6387 27.6893 176.8538 72 Q 3.8420 8.5888 123.6652 58.0429 29.0249 177.7800 73 D 4.9487 8.3635 120.2223 56.1286 39.6300 178.2534 74 I 3.9708 7.6334 114.5948 63.9098 37.1217 177.9268 75 L 3.9715 7.5937 119.4322 56.7647 41.4017 178.2786 76 F 4.5236 7.9711 116.0443 57.7855 39.2504 175.7555 77 Y 4.7908 7.6382 115.7719 57.9234 38.7568 175.0655 78 G 4.2157 8.5023 108.4587 44.5995 0.0000 175.7949 79 D 4.4435 8.9268 123.1130 56.9122 40.6668 178.5167 80 E 4.2167 8.1395 117.4962 58.2326 29.6102 177.9762 81 L 4.1681 7.6391 117.8640 55.6504 42.1852 178.4901 82 L 4.0903 7.8096 120.5379 57.9323 41.6106 178.8419 83 H 4.2497 8.1917 114.4816 58.4957 28.4352 177.1835 84 A 3.9435 7.5619 123.1999 54.4909 18.3069 177.6550 85 P 4.0278 0.0000 0.0000 66.2356 31.4778 178.3889 86 C 3.9881 8.1523 116.7300 62.0403 27.8804 176.3303 87 G 3.8151 8.4756 107.7780 47.8397 0.0000 175.5845 88 A 4.0187 7.9785 123.4624 54.8815 18.3227 179.1959 89 Y 3.8387 7.7822 117.4506 61.2059 38.9009 177.7274 90 Y 4.5270 8.4717 118.3396 61.1229 37.9687 179.0803 91 V 3.0747 8.3040 120.7107 64.3552 30.9785 178.4927 92 R 4.2806 7.3294 119.7303 58.8901 29.7499 178.3938 93 E 3.9890 7.8886 116.6423 58.3083 29.5485 178.0279 94 E 4.4938 8.3583 117.1992 56.4120 30.8856 176.8163 95 V 3.9865 7.9243 117.1767 62.2601 33.2959 176.4484 96 G 3.8209 7.6297 105.2526 45.2222 0.0000 173.0331 97 I 3.7828 7.4384 121.0445 61.0706 36.9048 176.1146 98 E 4.4422 8.4356 123.5593 55.5482 30.7426 176.1022 99 D 4.3405 7.8589 119.1853 54.2819 41.7943 175.7694 100 E 3.9227 8.7884 128.9747 59.3273 29.6410 178.3189 101 D 4.3610 8.2625 119.0681 57.2500 41.0026 178.7890 102 V 3.5946 7.9748 118.1601 66.1524 31.5612 177.9133 103 L 4.0089 8.1182 118.8219 57.7364 41.5296 179.3529 104 Q 4.0072 8.3699 119.4250 59.1490 28.8217 178.0353 105 A 4.1758 7.8867 120.8195 55.1776 18.7745 179.5090 106 I 3.9075 7.8169 118.1430 64.6782 37.0548 178.4171 107 R 3.8909 7.9317 118.2681 58.7808 29.9367 177.5248 108 F 4.8871 7.7696 114.8154 57.5074 39.2409 177.2005 109 H 4.5396 8.1965 116.9851 58.4486 28.3368 176.8322 110 T 4.1132 7.5642 117.7362 66.0482 69.1677 175.9311 111 T 4.1897 8.0017 110.4975 61.4887 69.7099 175.8914 112 G 3.8655 9.2983 111.2161 44.9283 0.0000 172.2870 113 R 4.5392 7.6220 112.7476 53.8422 31.7897 173.1965 114 P 4.1879 0.0000 0.0000 63.7391 31.8644 172.6123 115 N 3.8322 8.9029 126.1190 52.9496 39.0751 174.8734 *117 S 4.2309 8.1537 116.9268 57.6709 65.5206 174.2369 118 L 3.8949 8.2943 123.5672 58.4511 41.6995 179.0434 119 L 3.9701 7.8555 119.5257 58.1802 42.0637 178.4299 120 E 4.0689 8.1528 118.4640 59.5519 29.3472 179.6191 121 K 4.0083 8.1691 118.3004 59.4873 32.0369 179.4056 122 I 3.7502 8.0064 120.2101 64.5613 37.0477 178.6442 123 I 3.7671 7.8909 120.5715 64.0954 36.6727 177.9223 124 F 4.0001 8.5680 121.9441 61.5021 39.1444 177.0931 125 L 4.1218 8.5032 119.5992 58.0690 41.9630 178.4188 126 A 4.0034 8.4114 121.2294 55.4293 18.0187 179.0102 127 D 4.2069 7.9328 115.2976 57.6624 41.3159 177.6887 128 Y 4.0708 7.4205 117.9132 59.8436 38.9861 176.6234 129 I 4.3500 7.7108 110.8254 59.5259 38.8101 175.5719 130 E 4.1531 7.4140 119.1465 55.4121 29.7990 176.4161 131 P 4.3442 0.0000 0.0000 65.7885 31.4891 177.4795 132 N 4.5421 8.6920 114.3035 54.6527 38.7883 175.7798 133 R 4.2014 7.7835 118.1606 56.2815 30.5844 176.3665 134 Q 4.5811 8.2778 120.3792 55.3390 30.1364 175.8237 135 F 4.3649 8.0403 112.9110 55.6312 38.7160 172.5910 136 P 4.0392 0.0000 0.0000 64.1537 31.5695 176.6784 137 G 3.9418 8.7788 110.8759 45.2126 0.0000 175.0854 138 V 3.6008 6.2735 121.1459 64.7712 31.0441 178.0626 139 E 3.9261 7.9919 118.6285 59.2170 29.2569 179.3822 140 K 4.0066 7.9966 117.7752 59.5441 32.1675 179.4584 141 V 3.7336 7.6900 118.5320 65.8471 31.2386 178.1140 142 R 4.0024 8.3154 117.5094 59.7699 30.1887 178.6251 143 T 4.0480 8.0216 115.1627 66.9408 68.0601 176.4013 144 Q 4.0267 8.5665 121.3626 59.1793 27.9163 178.2208 145 A 4.1516 8.2577 121.8329 54.9733 18.1523 179.6921 146 K 4.2249 7.9379 116.4572 58.9150 32.1410 177.8809 147 T 4.6330 7.4788 103.1674 61.1123 70.3000 173.8973 148 D 4.5500 8.5098 122.1637 51.6122 42.3849 175.1173 149 L 3.8310 8.2911 126.7614 57.9127 42.2520 177.9367 150 N 4.3437 8.0305 115.9654 56.2764 38.4457 177.4954 151 G 3.7597 8.5436 107.6677 47.1999 0.0000 175.3611 152 A 4.3150 8.1282 124.6428 54.4397 18.2903 179.8818 153 I 3.7406 7.8921 118.2537 64.4758 37.1512 178.5224 154 I 3.7275 8.0538 121.0779 64.7701 37.1101 178.5895 155 S 4.1955 8.4117 116.0494 61.7663 62.5466 177.1036 156 S 3.3652 8.0432 117.7829 61.2259 62.4362 176.6716 157 L 3.9793 8.1448 121.9791 57.7269 41.3494 179.6899 158 V 3.4962 8.0103 118.2365 66.1023 31.4833 177.9188 159 N 4.4274 8.0016 115.6750 56.5260 38.3332 177.6216 160 T 3.8930 8.0034 117.2158 66.8592 68.5650 176.8946 161 I 3.7409 8.1789 122.0640 64.5853 37.0100 178.6114 162 T 3.8490 8.0794 116.6549 66.5613 68.2316 176.3278 163 F 4.0416 8.3672 122.3627 61.2881 39.3943 176.9991 164 L 3.9829 8.3039 118.6351 57.8422 41.3777 179.4288 165 L 3.9515 8.0672 118.8145 57.9097 41.3911 179.7336 166 K 3.8834 7.8448 116.8400 59.3730 32.1202 178.8421 167 K 4.0226 7.7642 115.2760 55.7252 32.7836 176.4090 168 N 4.1495 7.9799 116.4239 54.6094 36.5935 173.8924 169 Q 4.7410 7.9779 115.3101 53.1224 31.5892 174.7813 170 P 4.5737 0.0000 0.0000 62.8612 32.1009 175.8018 171 I 4.5201 8.1613 119.9201 59.2411 39.7158 175.0710 172 Y 3.4108 8.6852 126.7725 57.0871 39.2323 175.1108 173 P 4.0408 0.0000 0.0000 65.5790 31.3877 178.0182 174 D 4.2817 6.7443 115.7249 56.7533 41.2516 178.2435 175 T 4.1613 7.7793 118.0508 66.1771 68.3983 176.4057 176 L 4.0006 7.8383 121.6249 57.9989 42.1964 178.6625 177 A 3.9659 7.9571 120.8604 55.2043 18.2216 179.8574 178 T 3.7245 7.8946 114.5551 66.7826 68.4414 176.2535 179 Y 3.9878 7.8559 121.1057 60.9317 38.8047 178.0183 180 N 4.1272 8.5819 117.6724 56.0780 38.5931 177.3115 181 Q 3.8327 8.0624 120.9636 59.2436 28.9989 178.3237 182 L 3.8916 7.5132 118.6176 57.3925 41.8065 178.9801 183 L 3.8558 7.7526 120.5131 58.1171 41.8295 178.9435 184 L 3.8601 7.6839 118.7027 57.8244 42.0382 178.1100 185 E 3.9155 7.7415 118.1562 57.4496 29.5941 176.4077 186 Q 4.1270 7.9352 122.3783 56.2757 29.2503 172.9551 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 0 G 8.35 3.77 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 0.00 0.00 0.00 *2 N 8.43 4.46 0.00 2.82 2.78 0.00 0.00 6.56 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.59 3.99 0.00 2.08 1.93 0.00 3.24 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 4 G 8.15 3.63 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 0.00 0.00 0.00 5 K 8.71 4.01 0.00 1.91 1.86 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 6 A 8.23 4.17 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 7 L 8.16 3.98 0.00 1.89 1.93 0.93 0.93 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 8 Q 7.99 3.99 0.00 2.15 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 9 L 8.17 4.30 0.00 2.08 2.02 1.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.96 4.13 1.65 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 0.93 0.00 0.00 1.12 0.00 0.00 11 K 8.05 3.79 0.00 1.67 1.66 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.55 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.10 0.79 7.81 12 P 0.00 4.34 0.00 1.87 2.00 0.00 3.97 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 13 H 8.05 4.75 0.00 3.25 3.30 0.00 5.60 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.25 5.23 0.00 1.88 1.73 1.11 1.09 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 15 T 8.19 4.18 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 0.66 0.00 0.00 16 E 8.61 3.96 0.00 2.11 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 2.41 2.50 0.00 17 H 8.29 4.10 0.00 3.26 3.33 0.00 5.72 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 18 R 8.11 4.06 0.00 2.28 2.34 0.00 3.27 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 19 Y 8.45 4.12 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.49 3.84 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 21 H 8.08 4.27 0.00 3.17 3.39 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.71 3.77 4.25 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 1.22 0.00 0.00 23 I 7.29 3.75 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.38 0.81 0.00 0.00 24 G 7.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.79 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 0.85 0.00 0.00 0.64 0.00 0.00 *27 E 8.14 4.21 0.00 2.20 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 2.27 2.42 0.00 28 T 8.19 3.88 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 29 A 8.70 4.10 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 30 I 7.67 3.65 2.01 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 1.64 0.66 0.91 0.00 0.00 31 D 8.01 4.37 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.13 0.00 1.93 1.94 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.47 4.09 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 34 K 8.33 3.89 0.00 1.96 1.83 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.65 7.81 35 L 7.86 3.88 0.00 1.50 1.52 0.62 0.67 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 36 Y 7.69 4.59 0.00 3.17 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 37 G 7.74 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.00 4.40 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 39 D 8.44 4.40 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.70 4.10 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.70 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 41 Q 8.17 4.01 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 42 K 8.48 4.05 0.00 1.84 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.71 7.81 43 A 8.02 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.85 0.00 2.15 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121 K 8.17 4.01 0.00 1.93 1.81 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.65 7.81 122 I 8.01 3.75 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.88 1.00 0.00 0.00 123 I 7.89 3.77 1.97 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 1.61 1.11 0.92 0.00 0.00 124 F 8.57 4.00 0.00 3.25 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 0.00 125 L 8.50 4.12 0.00 2.03 1.80 1.04 1.25 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 0.00 126 A 8.41 4.00 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 0.00 127 D 7.93 4.21 0.00 2.70 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 0.00 128 Y 7.42 4.07 0.00 2.82 3.09 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 0.00 129 I 7.71 4.35 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.86 1.21 0.00 0.00 130 E 7.41 4.15 0.00 2.11 2.26 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 2.25 2.31 0.00 131 P 0.00 4.34 0.00 2.04 2.15 0.00 3.64 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 2.00 2.10 0.00 132 N 8.69 4.54 0.00 2.97 2.85 0.00 0.00 7.05 7.30 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 0.00 133 R 7.78 4.20 0.00 1.85 1.82 0.00 3.19 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 134 Q 8.28 4.58 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.43 0.00 135 F 8.04 4.36 0.00 3.18 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 0.00 136 P 0.00 4.04 0.00 2.24 2.12 0.00 4.06 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 137 G 8.78 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 0.00 138 V 6.27 3.60 1.17 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 0.71 0.00 0.00 1.00 0.00 0.00 139 E 7.99 3.93 0.00 2.04 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 2.35 2.39 0.00 140 K 8.00 4.01 0.00 1.99 1.91 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 141 V 7.69 3.73 2.57 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 1.27 0.00 0.00 1.33 0.00 0.00 142 R 8.32 4.00 0.00 2.03 2.03 0.00 3.23 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 143 T 8.02 4.05 4.45 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 1.24 0.00 0.00 144 Q 8.57 4.03 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 145 A 8.26 4.15 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 0.00 0.00 146 K 7.94 4.22 0.00 1.91 1.91 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.67 7.81 147 T 7.48 4.63 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 0.00 148 D 8.51 4.55 0.00 2.74 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 0.00 149 L 8.29 3.83 0.00 0.82 1.24 0.75 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 150 N 8.03 4.34 0.00 2.70 2.76 0.00 0.00 6.90 7.59 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 0.00 151 G 8.54 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.13 4.32 1.53 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 0.00 0.00 0.00 153 I 7.89 3.74 1.95 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 1.69 0.84 0.68 0.00 0.00 154 I 8.05 3.73 1.99 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.92 0.00 0.00 155 S 8.41 4.20 0.00 4.06 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 0.00 156 S 8.04 3.37 0.00 3.76 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 0.00 157 L 8.14 3.98 0.00 1.99 1.79 0.89 1.19 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 0.00 158 V 8.01 3.50 2.30 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 1.07 0.00 0.00 1.14 0.00 0.00 159 N 8.00 4.43 0.00 2.81 2.84 0.00 0.00 7.07 6.49 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 0.00 160 T 8.00 3.89 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 1.26 0.00 0.00 161 I 8.18 3.74 1.80 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 1.51 0.70 0.84 0.00 0.00 162 T 8.08 3.85 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 163 F 8.37 4.04 0.00 3.32 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 0.00 164 L 8.30 3.98 0.00 1.94 1.78 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.07 3.95 0.00 1.82 1.70 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.84 3.88 0.00 1.95 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.36 7.81 167 K 7.76 4.02 0.00 1.58 1.69 0.00 1.71 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.64 0.95 7.81 168 N 7.98 4.15 0.00 2.77 2.85 0.00 0.00 6.80 8.18 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 0.00 169 Q 7.98 4.74 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 170 P 0.00 4.57 0.00 2.51 2.16 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 171 I 8.16 4.52 1.91 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 1.36 0.90 0.92 0.00 0.00 172 Y 8.69 3.41 0.00 2.85 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 0.00 173 P 0.00 4.04 0.00 1.79 1.86 0.00 2.37 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 174 D 6.74 4.28 0.00 2.38 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 4.16 4.46 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 1.29 0.00 0.00 176 L 7.84 4.00 0.00 1.70 1.75 0.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 177 A 7.96 3.97 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 0.00 178 T 7.89 3.72 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 0.95 0.00 0.00 179 Y 7.86 3.99 0.00 3.03 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 0.00 180 N 8.58 4.13 0.00 2.76 2.82 0.00 0.00 6.73 8.36 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 0.00 181 Q 8.06 3.83 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 182 L 7.51 3.89 0.00 1.63 1.57 0.76 0.81 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 0.00 183 L 7.75 3.86 0.00 1.25 1.47 0.69 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.68 3.86 0.00 1.60 1.84 0.88 0.98 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 0.00 185 E 7.74 3.92 0.00 2.11 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 2.26 2.29 0.00 186 Q 7.94 4.13 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.