NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.5431 8.4244 119.2136 52.7963 40.9921 173.3504 7 V 3.8592 7.3318 117.9181 60.8862 32.2346 172.5810 8 E 3.9586 9.5185 129.5980 59.6828 30.2757 179.2358 9 S 4.1885 8.0026 114.2896 61.8153 62.9039 176.3072 10 F 4.7800 7.5014 116.4744 59.6011 38.8368 175.8582 11 D 4.6340 8.2834 120.4072 55.0160 41.1965 175.9885 12 L 4.3932 7.4392 121.4671 54.4605 42.7797 176.2204 13 D 4.6634 8.9699 126.4608 53.4547 39.8488 176.4029 14 H 4.3986 8.8036 124.0188 57.9489 28.9656 176.9652 15 T 4.2411 8.1118 108.7304 62.8035 69.1284 175.6716 16 K 4.3030 7.8506 120.3447 57.0332 32.9197 177.3104 17 V 3.9185 7.5419 111.5947 60.9056 32.1490 176.1964 18 K 4.5878 8.9554 120.9183 54.3326 32.9298 176.3648 19 A 4.5361 9.3069 126.0001 51.0245 19.7402 175.1686 20 P 4.7601 0.0000 0.0000 62.9131 33.7002 174.3543 21 Y 5.1507 7.9465 118.2031 56.6716 42.0764 172.8548 22 V 5.0049 8.7369 118.9630 61.2163 34.6790 174.2750 23 R 5.0307 9.1105 126.9569 54.5072 33.8893 173.5088 24 L 4.1021 9.6891 129.2410 55.4082 41.7688 176.2342 25 A 4.3711 8.8650 129.7345 53.7403 19.9106 176.9748 26 G 3.9386 7.2011 100.1530 46.0335 0.0000 172.7925 27 V 4.9442 8.2945 119.4667 60.9857 34.4759 174.5222 28 K 4.7873 9.0869 126.2641 54.8662 36.0602 175.0703 29 T 5.2116 8.2887 118.1673 61.9461 71.6765 174.3987 30 T 4.2830 8.6846 115.7005 60.1294 70.0669 173.8492 31 P 4.2231 0.0000 0.0000 65.6718 31.2466 177.9633 32 K 4.1182 7.8439 114.5789 56.6558 32.3320 177.3708 33 G 4.1104 7.9625 106.8688 44.9389 0.0000 173.6556 34 D 4.6370 8.2256 120.7690 54.0382 42.2477 175.5192 35 Q 4.7647 8.6348 121.5192 55.1425 30.9297 174.7249 36 I 4.6854 9.1419 124.8341 59.8699 39.6925 174.6111 37 S 4.9252 8.9870 124.4063 56.9502 64.9926 173.6235 38 K 4.8047 8.6221 123.5302 54.7232 34.7232 174.7318 39 Y 5.1041 8.6124 121.2203 56.2084 41.8716 174.2703 40 D 4.6707 9.7208 123.9846 53.2412 42.3210 175.4354 41 L 4.6443 8.2171 127.8862 53.2222 42.8039 175.1073 42 R 4.3641 8.1497 125.5724 55.1645 30.7071 176.6635 43 F 4.1492 9.2936 125.6638 59.9358 39.5547 175.9864 44 L 4.9019 7.9356 116.5595 52.3452 44.8337 176.4457 45 Q 4.0611 8.5629 122.7025 55.2620 29.6061 173.9106 46 P 4.4032 0.0000 0.0000 64.6299 31.7030 175.6732 47 N 4.3309 9.0285 118.2991 54.3793 35.8283 174.4873 48 Q 4.5120 9.1075 114.3472 54.7123 29.2753 174.7636 49 G 4.3508 7.1432 103.0932 43.2685 0.0000 172.6679 50 A 4.8093 7.7118 121.1781 49.8571 22.6566 175.7868 51 I 3.9545 8.5393 120.9326 60.5646 38.0768 176.0231 52 D 4.3370 8.7712 125.9612 54.1633 41.9063 175.1881 53 P 4.1734 0.0000 0.0000 65.9285 31.3048 178.8077 54 A 4.1946 8.2025 120.4253 54.5613 18.3042 179.5867 55 A 3.9317 7.8724 118.8806 55.3520 18.5996 179.5572 56 I 3.5821 7.9895 117.1130 63.9502 38.0909 177.6756 57 H 4.2532 8.1417 119.5202 59.5608 29.6276 177.4038 58 T 3.9609 7.9606 117.6408 66.5521 68.2755 176.7257 59 L 4.0215 8.1153 121.0581 57.5982 41.7178 179.0902 60 E 3.9418 8.3281 119.2380 59.7455 28.7238 178.6247 61 H 4.1034 8.2050 115.7572 58.9055 28.7866 177.9212 62 L 4.0007 8.1862 120.8473 57.7768 41.3312 179.5130 63 L 4.2971 8.4898 117.5241 57.0048 41.6114 178.9406 64 A 4.2659 7.7250 120.5102 55.1539 18.6302 179.5595 65 G 3.6341 7.4116 104.3308 47.7213 0.0000 176.8599 66 Y 4.5298 7.6881 119.0875 58.0261 37.7315 178.3788 *68 R 4.5566 8.0240 120.6306 56.4146 32.2598 177.0734 69 D 4.4718 8.1008 117.0098 56.7274 40.8333 176.7201 70 H 4.8603 7.7485 112.0390 55.3019 29.7734 174.0471 71 L 4.6603 7.5268 120.5597 53.5010 45.0057 174.8724 72 E 4.3972 8.7151 124.7649 56.5395 31.0467 176.4279 73 G 3.8913 8.7643 108.2838 45.8645 0.0000 173.4634 74 V 3.8851 7.6570 119.3742 62.9316 31.9944 175.8488 75 V 3.8534 8.8737 128.7273 64.3184 31.7701 175.3432 76 D 4.4935 7.2784 114.8906 52.4870 41.2951 174.6159 77 V 4.6218 8.4000 119.7382 61.4099 33.5148 174.7162 78 S 4.9730 9.2095 124.2755 55.5261 65.8689 173.6481 79 P 4.5887 0.0000 0.0000 63.0540 32.3514 177.9958 *81 G 4.0051 8.8675 103.4604 45.4922 0.0000 173.4936 82 C 4.1055 8.0163 112.7948 58.4570 30.2958 173.7849 83 R 3.8528 7.4703 119.2924 57.8413 27.9065 177.1627 84 T 4.5629 6.9455 103.9042 60.9027 70.7484 173.5625 85 G 4.3162 7.1232 112.2456 46.8344 0.0000 172.3241 *87 Y 4.7839 8.0157 121.8037 57.6702 39.3115 172.9654 *89 A 4.6555 8.0035 120.2630 52.3516 20.3105 176.1006 90 V 4.8596 9.0865 120.6682 61.1492 35.4522 174.6538 91 I 4.3203 9.4218 129.8824 61.8774 37.1113 175.7618 92 G 4.3394 8.1878 118.6925 44.0675 0.0000 171.1665 93 E 4.4455 7.9688 117.6277 54.5085 30.2603 175.1794 94 P 4.4538 0.0000 0.0000 63.6258 31.9406 177.1694 95 D 4.8375 9.2767 120.4611 53.4417 42.9669 175.2788 96 E 4.1425 8.5086 122.4407 59.0793 30.3456 178.6196 97 Q 4.1086 8.2945 118.6625 59.1007 29.5673 177.5276 98 G 3.8027 8.4721 106.4480 48.0718 0.0000 176.2619 99 V 3.5002 7.6341 119.5949 62.6344 30.9507 177.9762 *101 K 4.1831 8.2641 119.0977 55.9618 34.0890 178.2897 102 A 4.0123 8.0605 120.5320 55.0532 18.1287 179.4954 103 F 4.3617 8.6235 119.6741 61.3354 39.5631 176.9197 104 E 3.6116 8.1751 118.2951 59.2728 29.5127 178.6029 105 A 3.8362 7.9892 120.4906 54.9737 18.3721 179.5023 106 A 3.9627 8.2702 119.6620 55.1696 18.3955 179.8721 107 L 3.8976 7.9834 117.8770 57.5303 41.7110 179.7866 108 K 3.9022 7.7306 118.2526 59.4169 31.7345 179.0895 109 D 4.0501 7.4746 118.0097 57.4224 40.8553 178.7247 110 T 4.1771 7.8251 115.9427 66.7493 68.3127 176.7176 111 A 4.2103 8.3425 121.8006 54.3038 18.3535 178.8596 112 G 4.1939 7.4494 101.5423 43.8963 0.0000 173.4109 113 H 4.4195 7.9501 121.5065 55.8578 28.9272 174.4026 114 D 4.8290 8.4534 124.9880 53.0093 39.8765 176.1809 115 Q 4.4044 7.3175 118.9531 53.8761 30.3868 173.3837 116 P 4.4394 0.0000 0.0000 62.5634 31.8305 176.6484 117 I 3.9150 8.1123 122.0756 60.2372 37.4977 174.6208 118 P 4.2365 0.0000 0.0000 63.9995 31.6641 176.3552 119 G 3.7446 8.8443 108.7029 46.1706 0.0000 173.2517 120 V 4.1794 7.3000 119.5561 61.5562 31.8760 174.8311 121 S 4.3602 7.8186 120.0521 57.5592 64.6367 177.2574 122 E 3.9029 7.9699 121.7875 58.7027 29.6327 178.0540 123 L 4.1480 7.7573 117.9832 56.9697 41.9144 177.3554 124 E 4.4965 7.9260 115.1989 56.3599 30.3540 175.5385 125 C 4.8246 8.2117 119.8035 57.3840 34.6456 174.8038 126 G 3.6388 8.8484 115.4058 47.9062 0.0000 173.3857 127 N 4.9945 7.8969 118.5817 52.1448 39.6846 174.8252 128 Y 4.3018 8.2205 117.5843 59.9922 38.4686 178.3485 129 R 3.7557 7.1900 117.6124 57.4748 30.7231 176.5314 130 D 4.6097 7.9270 120.8799 52.9973 39.5875 174.4439 131 H 5.0624 7.4642 116.9673 54.3438 33.3915 174.2394 132 D 4.6814 8.0301 119.9108 51.9423 42.2797 175.2157 133 L 3.9646 8.4174 125.5961 57.5385 42.4304 177.6454 134 A 3.9797 8.0903 119.9384 55.3679 18.3147 179.3650 135 A 3.9171 8.5588 118.9787 55.0971 18.4220 179.7473 136 A 4.0030 8.1809 119.3273 55.4589 18.4440 180.0635 137 R 3.9313 8.4751 117.0581 59.5131 30.0954 179.1485 138 Q 3.9528 8.1448 119.3607 59.4406 29.0766 177.9184 139 H 4.3047 8.4764 117.1965 58.7320 28.7494 177.6704 140 A 4.0600 8.2435 122.7566 55.1441 18.1553 179.6270 141 R 3.8110 8.2448 117.4032 59.6566 30.0968 178.4933 142 D 4.3270 8.5713 119.1689 57.2898 40.7885 178.9292 143 V 3.4955 7.7095 118.6186 65.9916 31.2770 178.1354 144 L 3.9276 7.4919 117.4510 57.7905 41.4812 178.8722 145 D 4.4727 8.1294 118.3289 57.5274 40.8215 178.5738 146 Q 4.1625 8.0611 117.7831 55.7961 29.0295 176.9727 147 G 3.8364 8.2062 108.7025 45.8480 0.0000 173.1383 148 L 4.7886 8.0328 123.8300 54.4712 43.4113 175.7055 149 K 4.5447 8.0360 117.2445 56.1171 36.4466 174.5493 150 V 4.4380 8.3157 121.4260 62.3587 32.2431 174.6939 151 Q 4.4565 8.7209 130.4291 54.4696 29.7824 175.1716 152 E 4.1819 8.5684 124.5243 55.9922 30.7722 176.2993 153 T 3.9868 8.2751 118.1674 63.4120 69.2151 174.0420 154 I 4.3848 8.1445 127.3976 59.5262 39.0436 175.1467 155 L 4.7821 8.4336 127.2441 54.0674 42.9217 177.2509 156 L 4.2799 8.5175 120.8318 55.1587 41.2640 176.9975 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 6 N 8.42 4.54 0.00 2.71 2.89 0.00 0.00 6.81 6.83 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 7 V 7.33 3.86 1.15 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 0.33 0.00 0.00 0.79 0.00 0.00 8 E 9.52 3.96 0.00 1.97 1.96 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 2.35 2.27 0.00 9 S 8.00 4.19 0.00 3.57 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 10 F 7.50 4.78 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 11 D 8.28 4.63 0.00 2.92 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 12 L 7.44 4.39 0.00 1.65 1.61 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.97 4.66 0.00 2.71 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 14 H 8.80 4.40 0.00 3.17 3.43 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.11 4.24 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 1.24 0.00 0.00 16 K 7.85 4.30 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.67 7.81 17 V 7.54 3.92 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 0.63 0.00 0.00 1.16 0.00 0.00 18 K 8.96 4.59 0.00 1.71 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.50 7.81 19 A 9.31 4.54 1.23 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 0.00 0.00 0.00 20 P 0.00 4.76 0.00 2.02 2.26 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 21 Y 7.95 5.15 0.00 3.20 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 22 V 8.74 5.00 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 23 R 9.11 5.03 0.00 1.87 1.93 0.00 3.07 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 24 L 9.69 4.10 0.00 1.69 1.63 0.54 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.86 4.37 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 26 G 7.20 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 27 V 8.29 4.94 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 0.86 0.00 0.00 0.85 0.00 0.00 28 K 9.09 4.79 0.00 1.65 1.60 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.31 7.81 29 T 8.29 5.21 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 1.26 0.00 0.00 30 T 8.68 4.28 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 1.26 0.00 0.00 31 P 0.00 4.22 0.00 2.05 2.16 0.00 3.66 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 2.02 2.11 0.00 32 K 7.84 4.12 0.00 1.74 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 33 G 7.96 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 34 D 8.23 4.64 0.00 2.64 2.59 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 35 Q 8.63 4.76 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 36 I 9.14 4.69 1.84 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 1.21 1.00 0.89 0.00 0.00 37 S 8.99 4.93 0.00 3.83 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 38 K 8.62 4.80 0.00 1.50 1.56 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.59 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.22 1.28 7.81 39 Y 8.61 5.10 0.00 2.91 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 40 D 9.72 4.67 0.00 2.82 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 41 L 8.22 4.64 0.00 1.34 0.53 0.54 0.31 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 42 R 8.15 4.36 0.00 1.13 0.66 0.00 3.17 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.48 0.00 43 F 9.29 4.15 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.94 4.90 0.00 1.51 1.59 0.96 1.26 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 45 Q 8.56 4.06 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 46 P 0.00 4.40 0.00 2.32 2.15 0.00 3.95 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 2.17 2.24 0.00 47 N 9.03 4.33 0.00 2.90 2.94 0.00 0.00 6.94 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 48 Q 9.11 4.51 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 49 G 7.14 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.71 4.81 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 51 I 8.54 3.95 1.76 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.51 0.72 0.00 0.00 52 D 8.77 4.34 0.00 2.81 2.54 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 53 P 0.00 4.17 0.00 2.16 2.07 0.00 3.63 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 2.10 2.15 0.00 54 A 8.20 4.19 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 55 A 7.87 3.93 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 56 I 7.99 3.58 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 0.89 0.00 0.00 57 H 8.14 4.25 0.00 3.33 3.43 0.00 5.66 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 58 T 7.96 3.96 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 1.22 0.00 0.00 59 L 8.12 4.02 0.00 1.79 1.69 0.48 0.78 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 60 E 8.33 3.94 0.00 2.17 2.28 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 2.35 2.40 0.00 61 H 8.20 4.10 0.00 3.42 3.40 0.00 5.69 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 62 L 8.19 4.00 0.00 1.77 1.85 0.97 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.49 4.30 0.00 1.76 1.91 1.30 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.73 4.27 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 65 G 7.41 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 66 Y 7.69 4.53 0.00 3.23 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 *68 R 8.02 4.56 0.00 2.08 2.05 0.00 3.22 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 69 D 8.10 4.47 0.00 2.89 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 70 H 7.75 4.86 0.00 3.22 3.33 0.00 5.63 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 71 L 7.53 4.66 0.00 1.55 1.50 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.72 4.40 0.00 2.01 1.87 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 2.28 2.31 0.00 73 G 8.76 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 74 V 7.66 3.89 2.11 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 0.86 0.00 0.00 0.97 0.00 0.00 75 V 8.87 3.85 2.21 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 0.85 0.00 0.00 0.98 0.00 0.00 76 D 7.28 4.49 0.00 2.78 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 77 V 8.40 4.62 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 0.91 0.00 0.00 0.99 0.00 0.00 78 S 9.21 4.97 0.00 3.79 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 79 P 0.00 4.59 0.00 2.05 1.86 0.00 3.82 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 1.99 1.97 0.00 *81 G 8.87 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 0.00 0.00 0.00 82 C 8.02 4.11 0.00 3.14 3.22 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 83 R 7.47 3.85 0.00 1.83 2.10 0.00 3.22 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 84 T 6.95 4.56 4.44 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 1.22 0.00 0.00 85 G 7.12 4.32 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 0.00 *87 Y 8.02 4.78 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 A 8.00 4.66 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 90 V 9.09 4.86 2.33 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 1.16 0.00 0.00 1.09 0.00 0.00 91 I 9.42 4.32 1.89 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 1.17 0.68 0.92 0.00 0.00 92 G 8.19 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.97 4.45 0.00 2.15 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 2.31 2.26 0.00 94 P 0.00 4.45 0.00 2.09 2.06 0.00 3.73 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 2.02 2.06 0.00 95 D 9.28 4.84 0.00 2.74 2.54 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 96 E 8.51 4.14 0.00 2.07 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 2.59 2.51 0.00 97 Q 8.29 4.11 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 98 G 8.47 3.80 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 0.00 0.00 0.00 99 V 7.63 3.50 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 0.49 0.00 0.00 0.12 0.00 0.00 *101 K 8.26 4.18 0.00 1.98 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.38 7.81 102 A 8.06 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.62 4.36 0.00 3.02 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 0.00 104 E 8.18 3.61 0.00 1.99 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 2.27 2.25 0.00 105 A 7.99 3.84 0.98 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 0.00 0.00 106 A 8.27 3.96 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.98 3.90 0.00 1.50 1.45 -0.36 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.73 3.90 0.00 1.87 1.74 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.51 7.81 109 D 7.47 4.05 0.00 1.86 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 0.00 110 T 7.83 4.18 4.44 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 1.34 0.00 0.00 111 A 8.34 4.21 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 0.00 112 G 7.45 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 0.00 113 H 7.95 4.42 0.00 3.53 3.45 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.45 4.83 0.00 2.77 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 0.00 115 Q 7.32 4.40 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 116 P 0.00 4.44 0.00 2.05 2.00 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 117 I 8.11 3.91 1.75 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 1.43 0.46 0.76 0.00 0.00 118 P 0.00 4.24 0.00 2.12 2.00 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 119 G 8.84 3.74 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 0.00 0.00 0.00 120 V 7.30 4.18 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 0.97 0.00 0.00 0.62 0.00 0.00 121 S 7.82 4.36 0.00 3.82 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 0.00 122 E 7.97 3.90 0.00 1.28 1.78 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 2.27 2.41 0.00 123 L 7.76 4.15 0.00 1.62 1.67 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.93 4.50 0.00 2.14 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 2.25 2.20 0.00 125 C 8.21 4.82 0.00 3.24 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 0.00 126 G 8.85 3.64 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 0.00 0.00 0.00 127 N 7.90 4.99 0.00 2.85 2.66 0.00 0.00 6.78 7.44 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 0.00 128 Y 8.22 4.30 0.00 3.20 3.22 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 0.00 129 R 7.19 3.76 0.00 1.47 1.76 0.00 2.98 0.00 0.00 2.92 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 130 D 7.93 4.61 0.00 2.80 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 0.00 131 H 7.46 5.06 0.00 3.09 3.08 0.00 5.77 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.03 4.68 0.00 2.62 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 0.00 133 L 8.42 3.96 0.00 1.81 1.67 0.98 1.26 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 0.00 134 A 8.09 3.98 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 A 8.56 3.92 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 0.00 136 A 8.18 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 0.00 137 R 8.48 3.93 0.00 1.99 2.14 0.00 3.37 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 138 Q 8.14 3.95 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 139 H 8.48 4.30 0.00 3.45 3.52 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.24 4.06 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 0.00 141 R 8.24 3.81 0.00 1.96 2.13 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 142 D 8.57 4.33 0.00 2.91 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 0.00 143 V 7.71 3.50 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 0.68 0.00 0.00 0.70 0.00 0.00 144 L 7.49 3.93 0.00 1.75 1.63 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.13 4.47 0.00 2.78 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 0.00 146 Q 8.06 4.16 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.30 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 147 G 8.21 3.84 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 0.00 0.00 0.00 148 L 8.03 4.79 0.00 1.53 1.65 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.04 4.54 0.00 1.82 1.89 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.54 7.81 150 V 8.32 4.44 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 0.80 0.00 0.00 0.97 0.00 0.00 151 Q 8.72 4.46 0.00 1.54 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 152 E 8.57 4.18 0.00 2.08 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 2.22 2.26 0.00 153 T 8.28 3.99 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 1.20 0.00 0.00 154 I 8.14 4.38 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.90 0.00 0.00 155 L 8.43 4.78 0.00 1.54 1.60 0.92 1.13 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 0.00 156 L 8.52 4.28 0.00 1.56 1.60 1.05 1.16 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 * Residues marked with a * may have inaccurate shift predictions.