NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7511 8.0232 122.2806 50.9949 20.5559 176.3537 3 P 4.3438 0.0000 0.0000 61.9238 31.9794 175.4267 4 K 4.2640 9.0995 123.3621 59.6304 33.5563 177.1674 5 A 4.7149 7.6984 118.3885 50.8578 22.8027 175.3443 6 V 4.7241 8.6786 121.5160 61.1635 34.1744 174.3000 7 L 5.1746 9.1312 128.5829 53.5916 43.6066 176.1942 8 V 4.7112 9.7881 115.8769 58.9356 36.3449 175.3175 9 G 3.8730 7.6951 110.9004 44.0060 0.0000 171.9725 10 L 4.3351 7.5714 119.8875 53.4227 42.3131 175.1563 11 P 4.5307 0.0000 0.0000 64.1847 30.5654 177.4707 12 G 4.0582 9.0869 110.9118 45.4174 0.0000 174.9703 13 S 4.2251 7.8674 114.0616 59.3286 63.5693 175.1942 14 G 4.1943 7.8646 107.6823 45.5272 0.0000 175.4958 15 K 3.8362 8.5506 121.0491 59.7147 31.9904 179.2310 16 S 4.1625 7.9736 114.5255 61.7371 62.8823 176.7893 17 T 3.8785 7.7542 117.8656 66.8856 68.4200 176.9345 18 I 3.8675 8.4773 122.1551 64.0476 37.0272 178.7610 19 G 3.6200 8.1024 106.7515 47.8002 0.0000 175.6639 20 R 3.8973 8.0192 121.6103 59.2390 30.1575 178.8854 21 R 3.9694 8.0571 117.8370 59.0159 30.0307 178.8908 22 L 3.9473 8.5924 120.4496 58.0052 42.1027 178.8386 23 A 4.0119 8.1921 120.8866 54.9873 18.3084 179.5205 24 K 3.8637 8.2022 117.9327 59.5727 32.0656 178.8544 25 A 4.0119 7.7700 119.9507 55.1494 18.4494 179.1010 26 L 4.2371 7.9839 115.0501 54.9422 41.8985 177.7973 27 G 3.8484 7.6904 106.2955 46.3502 0.0000 173.2291 28 V 4.4849 7.7913 112.3812 59.0588 35.2472 175.2048 29 G 4.1467 8.4683 107.8026 45.2609 0.0000 172.3141 30 L 5.2630 8.3699 122.5876 52.9663 44.1440 175.1020 31 L 4.6082 8.7806 128.3450 53.2524 44.7385 174.1424 32 D 5.2564 8.5101 126.3658 52.7704 42.6572 176.8718 33 T 3.9106 8.6767 117.8679 65.0798 68.6053 176.2044 34 D 4.4132 8.5562 121.6881 57.1770 40.9317 178.8218 35 V 3.5875 8.0831 117.9171 66.1009 31.6189 177.6690 36 A 4.0216 8.4041 120.8108 55.2154 18.1500 179.7724 37 I 3.6449 7.8800 118.4194 64.6392 37.2090 178.5727 38 E 4.6314 8.2876 120.6460 58.7676 29.0083 179.1100 39 Q 4.1225 7.9721 117.1491 57.9338 29.0270 177.9970 40 R 4.0400 7.7996 119.7455 59.2139 30.2367 178.0927 41 T 4.1617 7.6651 108.3257 64.7161 69.4872 175.7388 42 G 4.0513 8.0181 108.3432 44.9185 0.0000 173.9209 43 R 4.4517 7.7323 118.4728 54.8571 31.9757 176.0223 44 S 5.0353 8.0774 113.9845 57.4939 65.5541 175.3814 45 I 3.7372 8.5272 122.5730 64.6130 36.7825 178.2559 46 A 4.0906 8.1577 120.7887 55.7399 18.1339 179.0682 47 D 4.3745 7.9827 116.4340 57.7210 40.8101 179.3478 48 I 3.7226 7.7424 119.8113 64.3242 37.1117 178.4407 49 F 4.0732 8.1024 118.2755 60.6465 38.5653 177.1196 50 A 4.0246 8.2165 119.1065 56.7729 18.2527 179.2712 51 T 3.9452 8.2026 113.9839 66.0111 68.4299 176.0335 52 D 4.3305 7.7945 123.8105 57.7599 41.7641 178.1525 53 G 4.5937 8.8036 104.0036 44.7702 0.0000 173.6233 54 E 4.0117 8.3860 116.0256 59.3767 29.5886 179.5949 55 Q 4.0261 8.2221 116.8446 59.9260 28.5804 178.9283 56 E 3.9184 8.1681 121.0942 58.4761 29.6417 178.1178 57 F 3.8355 8.3539 120.8028 61.4030 39.4604 177.0267 58 R 3.7104 8.5739 117.9778 59.4482 29.9391 179.0898 59 R 3.7802 7.8209 117.7397 59.5433 30.1863 178.6631 60 I 3.5774 7.5291 119.5966 64.0933 37.0890 178.0144 61 E 3.5891 8.3228 120.6849 59.2225 29.4321 178.4076 62 E 3.8669 8.4388 119.6485 59.2784 29.7031 178.2375 63 D 4.2524 7.9140 117.8737 57.3765 41.3127 178.4868 64 V 3.5383 7.7453 118.6782 65.8583 31.4252 178.1313 65 V 3.5499 8.1303 118.4101 66.1318 31.1122 178.1828 66 R 3.8748 8.3716 117.9780 59.2660 29.9010 178.9809 67 A 3.9861 7.9526 119.8817 54.8706 18.3181 179.5957 68 A 3.9169 8.1187 119.3538 55.4329 18.1012 179.8912 69 L 3.9688 8.2630 117.4374 57.4700 41.3517 179.2710 70 A 4.2668 7.5959 119.2851 53.7992 19.3836 178.2972 71 D 4.6414 8.5291 115.8922 54.1667 41.9140 176.1915 72 H 4.7390 8.1345 120.0107 55.1177 30.6687 174.1949 73 D 4.9074 7.9213 125.0138 52.9286 41.6703 177.5569 74 G 4.1063 7.0989 111.2653 46.3889 0.0000 174.0757 75 V 4.7799 9.0221 125.3038 61.1632 33.7225 174.1817 76 L 5.0800 8.9651 129.8423 53.4491 44.7602 174.8840 77 S 5.0036 8.8852 122.9972 56.8388 64.7485 172.9659 78 L 4.6247 8.5354 128.2393 53.5706 43.0259 176.6401 79 G 3.8153 9.1251 113.9896 46.6911 0.0000 174.4690 80 G 4.0509 9.2137 113.3447 48.2982 0.0000 174.2290 81 G 3.9936 8.1252 105.7775 45.0170 0.0000 174.9851 82 A 4.7043 8.3419 124.1831 54.8156 18.4217 180.2679 83 V 3.8776 7.7778 106.8539 63.3517 31.6673 177.2430 84 T 3.9898 7.7330 109.8967 63.2943 69.2668 174.8064 85 S 4.5240 8.0265 120.2946 56.8814 63.6358 173.0462 86 P 4.3466 0.0000 0.0000 65.7786 31.0750 178.8413 87 G 3.8933 8.0057 105.2329 47.1307 0.0000 175.8384 88 V 3.6218 7.7228 120.4967 65.9423 31.3764 178.3423 89 R 3.9382 7.9610 116.0013 59.1484 30.0643 178.4575 90 A 4.1152 8.2653 120.4428 55.1873 18.2136 179.5999 91 A 3.9972 7.8841 118.0048 55.2097 18.6232 179.5583 92 L 4.1925 8.1778 117.1254 55.9934 41.5641 177.2294 93 A 4.0804 7.0896 122.2655 54.0524 18.5254 177.0831 94 G 4.0001 9.0881 111.5549 45.7655 0.0000 173.5007 95 H 4.5080 7.8485 116.0591 55.2772 29.8362 174.9253 96 T 4.3230 8.3146 117.6384 63.0621 69.5395 174.3129 97 V 4.6935 8.7275 127.9474 61.0992 34.1167 174.4993 98 V 4.6491 8.9568 129.8495 61.8291 33.0216 174.0773 99 Y 5.0506 9.1736 131.2169 56.3549 39.8449 174.6465 100 L 4.5362 8.6562 128.7981 54.2102 42.1005 176.6385 101 E 4.1319 8.7255 125.0486 55.3803 31.1387 175.6836 102 I 5.0057 7.9409 122.3531 59.4744 41.3765 174.6267 103 S 4.4414 9.6424 123.0268 57.7389 64.0223 175.2643 104 A 4.0049 8.6264 122.6547 55.0954 18.0974 179.8273 105 A 3.8199 7.8702 118.8829 55.3824 18.5579 179.3559 106 E 4.0473 8.1382 117.7388 58.9897 29.2071 179.0745 107 G 3.5792 8.3872 107.7442 47.1585 0.0000 176.0967 108 V 3.3236 7.2226 122.1122 64.3144 31.0755 178.6229 109 R 4.0301 7.2446 116.4088 58.7422 30.0010 178.7702 110 R 4.1259 7.9485 117.5130 58.2779 30.1424 177.9297 111 T 4.6319 7.3814 107.6562 61.3563 68.8600 175.8994 112 G 3.8751 7.2877 105.3005 46.7595 0.0000 174.6321 113 G 3.8616 8.0193 108.5883 44.7820 0.0000 174.2650 114 N 4.7932 8.2732 117.7160 55.0394 36.1643 175.5585 *115 T 4.3775 7.2835 107.3834 61.3018 68.3869 176.0999 116 V 3.2513 7.7608 125.8785 63.6931 29.5096 170.3053 117 R 4.5092 7.5191 121.2515 52.2972 30.5877 174.2905 118 P 4.1162 0.0000 0.0000 65.7692 31.6137 178.1634 119 L 4.0269 7.7527 116.0318 56.5730 42.2132 177.4568 120 L 4.7372 7.3365 118.4316 53.0265 41.5051 176.5455 121 A 4.0869 7.8582 121.1415 52.1538 19.5023 178.1464 122 G 4.1137 8.8565 110.7051 48.0859 0.0000 172.5640 123 P 4.0808 0.0000 0.0000 63.9571 32.1505 176.3574 124 D 4.3316 8.7490 121.8580 54.1755 38.3409 174.7771 125 R 3.9665 7.6420 121.5238 59.7292 30.6023 178.6440 126 A 3.9994 7.9740 120.2236 55.2131 18.4361 179.1112 127 E 3.8981 8.1485 117.2211 59.4721 29.8283 179.0152 128 K 4.0165 7.9515 118.2093 59.5556 31.9450 178.7885 129 Y 3.9142 8.6265 120.3238 60.7211 38.7459 178.1194 130 R 4.0595 8.4942 119.0115 59.1834 30.2620 178.9492 131 A 3.9996 8.1070 120.7458 54.9570 18.3035 179.3981 132 L 3.8248 7.9672 118.9238 58.3563 42.0219 178.8999 133 M 3.9827 8.1236 117.9292 58.7030 32.0199 178.0498 134 A 3.9709 7.8021 119.5802 54.8890 18.5313 179.0963 135 K 4.0150 7.7023 116.8930 59.1590 32.7291 178.6723 136 R 3.7987 8.2296 118.0466 57.9463 30.2289 178.3202 137 A 4.1181 8.0788 121.1680 55.2021 18.4625 177.9278 138 P 4.1492 0.0000 0.0000 65.6690 31.4462 178.9160 139 L 3.8871 7.3740 117.3567 57.8246 41.6519 178.8417 140 Y 4.0698 7.2395 116.6222 61.0674 37.4102 178.8033 141 R 3.9822 7.8152 118.2920 59.2182 30.2012 178.7862 142 R 4.0148 7.5913 117.5057 59.0975 30.2166 178.2757 143 V 3.9907 7.4811 109.1850 61.1181 32.4363 176.4999 144 A 4.4343 7.4902 122.5190 52.3789 18.7778 177.1569 145 T 4.5910 8.8273 111.3005 62.0139 71.1005 174.4208 146 M 4.8649 7.9559 121.8462 53.8621 35.8502 173.5802 147 R 5.1278 8.7925 124.3613 54.3809 33.1119 175.3484 148 V 4.2173 8.5095 123.2252 60.8454 34.5400 173.8441 149 D 4.7091 8.7419 128.8062 54.1511 41.3617 175.7502 150 T 4.4419 8.6780 115.3579 61.3860 69.5144 175.9166 151 N 4.1626 8.5824 120.9770 56.6164 38.4774 176.1995 152 R 4.4944 7.8301 112.0732 55.7525 31.1149 175.7802 153 R 4.4332 7.2334 118.1793 54.7398 31.4613 176.8698 154 N 4.6398 8.4148 120.1947 51.7322 39.6871 174.2458 155 P 4.3139 0.0000 0.0000 66.1174 31.3413 179.1391 156 G 3.5971 8.1239 103.4199 47.6966 0.0000 175.4474 157 A 3.9954 8.8300 123.5016 54.8341 18.3992 179.8967 158 V 3.4846 7.8155 116.8406 66.0560 31.5631 178.3649 159 V 3.5848 7.9329 118.0027 66.2724 31.4234 178.2224 160 R 3.9445 8.2493 117.9216 59.3131 29.6056 178.4855 161 H 4.0756 8.2050 117.4137 59.3221 30.0879 177.1678 162 I 3.8664 7.8315 121.3481 64.5192 36.7902 178.1585 163 L 3.9582 8.2151 120.1671 58.3471 41.2881 179.8837 164 S 4.3176 8.1180 113.1124 60.4228 62.8798 175.7215 165 R 4.4282 7.8216 119.0467 56.0281 30.6881 176.1662 166 L 4.1954 7.4393 122.5724 54.9414 41.6968 176.5849 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 2 A 8.02 4.75 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 3 P 0.00 4.34 0.00 2.15 2.12 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.36 0.00 4 K 9.10 4.26 0.00 1.63 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.71 1.54 7.81 5 A 7.70 4.71 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.68 4.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 7 L 9.13 5.17 0.00 1.59 1.56 0.98 0.69 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 V 9.79 4.71 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 0.74 0.00 0.00 0.91 0.00 0.00 9 G 7.70 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 10 L 7.57 4.34 0.00 1.83 1.54 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.53 0.00 2.17 2.05 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 12 G 9.09 4.06 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 0.00 0.00 0.00 13 S 7.87 4.23 0.00 4.14 4.04 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 14 G 7.86 4.19 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 0.00 0.00 0.00 15 K 8.55 3.84 0.00 1.82 1.90 0.00 1.87 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.53 7.81 16 S 7.97 4.16 0.00 3.88 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 17 T 7.75 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 1.21 0.00 0.00 18 I 8.48 3.87 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.02 0.91 0.00 0.00 19 G 8.10 3.62 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 0.00 0.00 0.00 20 R 8.02 3.90 0.00 2.01 2.09 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 21 R 8.06 3.97 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 22 L 8.59 3.95 0.00 1.79 1.74 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.19 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.86 0.00 1.96 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 A 7.77 4.01 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 26 L 7.98 4.24 0.00 1.65 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.69 3.85 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 0.00 0.00 0.00 28 V 7.79 4.48 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 0.75 0.00 0.00 1.01 0.00 0.00 29 G 8.47 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 30 L 8.37 5.26 0.00 1.65 1.57 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.78 4.61 0.00 1.24 1.23 0.81 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.51 5.26 0.00 2.76 2.51 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 0.00 0.00 0.00 0.00 33 T 8.68 3.91 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 1.25 0.00 0.00 34 D 8.56 4.41 0.00 2.98 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 35 V 8.08 3.59 2.25 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 1.05 0.00 0.00 1.00 0.00 0.00 36 A 8.40 4.02 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 37 I 7.88 3.64 2.07 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 0.82 0.00 0.00 38 E 8.29 4.63 0.00 2.17 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 2.39 2.52 0.00 39 Q 7.97 4.12 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 40 R 7.80 4.04 0.00 1.83 2.11 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 41 T 7.67 4.16 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 42 G 8.02 4.05 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 0.00 0.00 0.00 43 R 7.73 4.45 0.00 1.93 1.87 0.00 3.13 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 44 S 8.08 5.04 0.00 4.22 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 45 I 8.53 3.74 1.96 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.93 1.01 0.00 0.00 46 A 8.16 4.09 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 47 D 7.98 4.37 0.00 2.90 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 48 I 7.74 3.72 2.01 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 1.55 0.99 1.00 0.00 0.00 49 F 8.10 4.07 0.00 3.18 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 50 A 8.22 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.20 3.95 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 1.22 0.00 0.00 52 D 7.79 4.33 0.00 2.83 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 53 G 8.80 4.59 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 0.00 0.00 0.00 54 E 8.39 4.01 0.00 2.11 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 0.00 2.59 2.45 0.00 55 Q 8.22 4.03 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 56 E 8.17 3.92 0.00 2.10 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 2.37 2.40 0.00 57 F 8.35 3.84 0.00 2.57 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.57 3.71 0.00 2.00 2.02 0.00 3.48 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 59 R 7.82 3.78 0.00 1.97 2.06 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 60 I 7.53 3.58 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.75 0.00 0.00 61 E 8.32 3.59 0.00 1.22 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 0.00 2.20 2.15 0.00 62 E 8.44 3.87 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 63 D 7.91 4.25 0.00 3.01 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 64 V 7.75 3.54 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 0.89 0.00 0.00 0.91 0.00 0.00 65 V 8.13 3.55 2.18 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 1.04 0.00 0.00 0.97 0.00 0.00 66 R 8.37 3.87 0.00 1.84 1.95 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 67 A 7.95 3.99 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 68 A 8.12 3.92 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 69 L 8.26 3.97 0.00 1.79 1.63 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.60 4.27 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 71 D 8.53 4.64 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.13 4.74 0.00 3.02 3.34 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.92 4.91 0.00 2.53 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 74 G 7.10 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.02 4.78 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 1.01 0.00 0.00 0.98 0.00 0.00 76 L 8.97 5.08 0.00 1.81 1.49 0.97 0.85 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 77 S 8.89 5.00 0.00 3.81 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 78 L 8.54 4.62 0.00 1.67 1.68 0.93 0.90 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 79 G 9.13 3.82 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 0.00 0.00 0.00 80 G 9.21 4.05 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 0.00 0.00 0.00 81 G 8.13 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 82 A 8.34 4.70 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 83 V 7.78 3.88 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 0.87 0.00 0.00 0.77 0.00 0.00 84 T 7.73 3.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 85 S 8.03 4.52 0.00 4.04 3.83 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 0.00 0.00 0.00 0.00 86 P 0.00 4.35 0.00 2.14 2.10 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 87 G 8.01 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 0.00 0.00 0.00 88 V 7.72 3.62 2.35 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 1.03 0.00 0.00 0.93 0.00 0.00 89 R 7.96 3.94 0.00 1.95 1.97 0.00 3.23 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 90 A 8.27 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.88 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.18 4.19 0.00 1.91 1.76 0.94 0.52 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 93 A 7.09 4.08 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 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0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 1.04 0.00 0.00 103 S 9.64 4.44 0.00 4.00 4.05 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 0.00 104 A 8.63 4.00 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 0.00 105 A 7.87 3.82 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 0.00 106 E 8.14 4.05 0.00 2.09 1.90 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 2.27 2.32 0.00 107 G 8.39 3.58 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 0.00 0.00 0.00 108 V 7.22 3.32 1.68 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 0.74 0.00 0.00 0.85 0.00 0.00 109 R 7.24 4.03 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 110 R 7.95 4.13 0.00 1.91 1.98 0.00 3.26 0.00 0.00 3.28 7.62 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0.00 0.00 0.00 1.93 2.07 0.00 119 L 7.75 4.03 0.00 1.57 1.66 0.85 0.73 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 0.00 120 L 7.34 4.74 0.00 1.65 1.67 1.13 0.82 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 0.00 121 A 7.86 4.09 1.22 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 0.00 122 G 8.86 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.08 0.00 2.18 2.09 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 124 D 8.75 4.33 0.00 3.00 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 0.00 125 R 7.64 3.97 0.00 1.89 2.07 0.00 3.35 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 126 A 7.97 4.00 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 0.00 127 E 8.15 3.90 0.00 2.06 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 2.39 2.42 0.00 128 K 7.95 4.02 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.46 1.77 7.81 129 Y 8.63 3.91 0.00 3.13 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 0.00 130 R 8.49 4.06 0.00 2.11 2.02 0.00 3.21 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 131 A 8.11 4.00 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 0.00 132 L 7.97 3.82 0.00 1.78 1.60 0.84 0.45 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 0.00 133 M 8.12 3.98 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 134 A 7.80 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 0.00 135 K 7.70 4.01 0.00 1.83 1.91 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.42 7.81 136 R 8.23 3.80 0.00 1.71 1.15 0.00 3.29 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 137 A 8.08 4.12 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 0.00 138 P 0.00 4.15 0.00 2.09 2.08 0.00 3.59 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 2.16 2.16 0.00 139 L 7.37 3.89 0.00 1.38 1.48 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.24 4.07 0.00 1.89 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 0.00 141 R 7.82 3.98 0.00 1.92 2.05 0.00 3.27 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 142 R 7.59 4.01 0.00 1.95 2.09 0.00 3.21 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 1.63 1.65 0.00 143 V 7.48 3.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.05 0.00 0.00 144 A 7.49 4.43 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.83 4.59 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 1.27 0.00 0.00 146 M 7.96 4.86 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 147 R 8.79 5.13 0.00 1.72 1.76 0.00 3.28 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 148 V 8.51 4.22 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 0.87 0.00 0.00 0.96 0.00 0.00 149 D 8.74 4.71 0.00 2.65 2.49 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 0.00 150 T 8.68 4.44 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 1.20 0.00 0.00 151 N 8.58 4.16 0.00 2.80 2.91 0.00 0.00 6.75 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.83 4.49 0.00 1.75 1.90 0.00 3.18 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 153 R 7.23 4.43 0.00 1.79 1.82 0.00 3.17 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 154 N 8.41 4.64 0.00 2.98 2.93 0.00 0.00 6.24 7.76 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 0.00 155 P 0.00 4.31 0.00 2.17 2.16 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 156 G 8.12 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.83 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.82 3.48 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.92 0.00 0.00 159 V 7.93 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 160 R 8.25 3.94 0.00 2.02 1.97 0.00 3.19 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 161 H 8.20 4.08 0.00 3.22 3.56 0.00 5.95 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 0.00 162 I 7.83 3.87 2.02 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 1.57 0.82 0.93 0.00 0.00 163 L 8.22 3.96 0.00 1.82 1.74 0.92 0.79 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 0.00 164 S 8.12 4.32 0.00 3.94 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 0.00 165 R 7.82 4.43 0.00 1.83 1.94 0.00 2.98 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 1.53 1.63 0.00 166 L 7.44 4.20 0.00 1.68 1.58 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.