NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7041 8.3716 117.5187 52.6839 40.0053 172.7910 3 L 3.8682 8.2954 121.3294 54.1277 42.0479 174.4695 4 P 4.4042 0.0000 0.0000 62.7255 32.8402 176.6312 5 T 4.1566 9.4082 113.8420 61.0184 70.8224 175.5407 6 A 3.9002 8.4191 122.4566 55.5389 18.3561 179.8496 7 Q 3.8835 7.9513 115.8975 59.0345 28.8357 178.7278 8 E 3.8336 7.9701 119.6359 59.2245 29.4909 179.3375 9 V 3.0382 7.8656 118.6289 66.1075 31.5388 177.9809 10 Q 4.0677 8.2210 117.8307 59.0424 28.5408 179.2827 11 G 3.5692 7.9177 106.3882 47.7045 0.0000 175.8068 12 L 4.0263 7.8255 121.2753 57.7048 41.1991 179.4485 13 M 4.1621 8.2567 118.5498 58.2636 32.0562 178.6194 14 A 3.9721 8.0921 121.0092 55.1880 18.4455 179.7139 15 R 3.8773 7.9772 117.5244 59.3271 30.1250 178.8484 16 S 4.0485 8.0787 114.3632 61.3693 62.8421 176.7198 17 I 3.4985 7.3434 122.6468 63.9765 36.8323 177.8604 18 E 3.9212 7.8773 119.0538 59.7093 29.2998 179.6899 19 L 3.9229 8.1295 118.8427 57.6666 41.4527 179.5968 20 V 3.5091 7.5163 117.0020 66.2476 31.5325 177.2093 21 D 4.4607 8.1840 116.5739 57.1448 41.1012 177.9187 22 V 4.0628 7.7605 110.9077 61.1853 31.9699 176.7359 23 G 3.8156 8.1306 106.7437 46.5655 0.0000 174.7450 24 D 4.5953 7.7424 120.6174 52.6188 39.6085 175.7580 25 I 3.6729 7.8321 125.6446 63.8078 37.6512 177.2605 26 E 3.9729 8.1843 118.7532 59.4423 29.1214 179.1850 27 A 4.0343 7.9158 119.2366 54.9097 18.7867 179.2272 28 I 3.7051 7.9947 118.8550 64.8109 37.2231 178.8666 29 V 3.7964 7.9011 118.7474 65.8967 31.1473 177.6118 30 Q 4.1648 7.8729 117.6530 58.5890 29.1084 177.3712 31 M 4.2068 8.1404 119.2306 56.6746 32.1216 175.4827 32 Y 4.7479 7.3295 116.4479 56.0061 39.9448 175.4467 33 A 4.2647 8.5066 126.2737 52.1764 19.3922 178.7171 34 D 4.4651 8.8862 119.9511 55.7539 39.5913 177.5518 35 D 4.6923 7.8311 117.3392 52.5208 40.0353 176.0573 36 A 4.5980 7.8334 121.3031 53.3765 19.8814 177.3457 37 T 4.9274 8.6540 109.1461 59.8160 72.1251 173.2694 38 V 4.7333 8.4763 123.1214 61.2169 35.0475 174.0222 39 E 4.7446 9.2225 127.7651 54.7021 31.2833 174.7733 40 N 5.1792 8.2227 123.5787 51.0972 41.5949 172.1735 41 P 4.4711 0.0000 0.0000 61.9940 32.9934 175.4712 42 F 4.0016 8.5622 124.7481 59.7141 38.9630 174.8039 43 G 3.5285 7.8986 113.7739 45.4039 0.0000 173.5462 44 Q 4.2575 7.1442 119.7671 53.5615 30.4209 173.3315 45 P 4.2908 0.0000 0.0000 61.8652 31.8864 174.8659 46 P 4.7052 0.0000 0.0000 62.6866 32.5234 175.3642 47 I 4.6131 8.4840 114.8174 59.8903 40.4252 174.0965 48 H 5.1439 8.8956 119.4712 55.2666 32.7929 174.5087 49 G 4.1644 9.2082 106.8998 46.1833 0.0000 174.9658 50 R 3.9308 8.3841 119.4302 59.4024 29.9376 178.2787 51 E 3.9015 8.3819 118.4499 59.8461 29.4125 178.5094 52 Q 4.0364 8.0122 117.4427 59.1801 29.0531 179.1751 53 I 3.7681 7.6559 120.1818 63.7345 37.1613 178.2343 54 A 4.1374 8.2179 121.8914 55.1340 18.2218 179.5640 55 A 3.9858 8.1327 119.4148 55.0523 18.3823 179.3669 56 F 3.8887 8.3176 119.2789 61.9744 39.4445 177.1606 57 Y 4.0469 8.1806 116.0077 60.9742 37.4169 178.4831 58 R 4.0483 8.4325 118.8032 59.0440 30.1787 178.7118 59 Q 4.1138 7.9680 118.7267 59.1947 29.2888 178.0432 60 G 3.3904 7.7932 105.6306 45.7659 0.0000 173.5647 61 L 4.3772 7.6537 121.1869 52.5766 43.0511 175.9549 *65 K 4.0211 8.4299 123.7160 56.1767 32.6889 174.7460 66 V 4.7542 8.2236 125.1896 61.2671 34.6564 174.5093 67 R 5.0301 8.9876 125.1313 54.4673 33.8999 174.3867 68 A 5.3542 9.1167 122.7176 50.7041 22.6558 175.3915 69 C 4.9115 9.0029 117.3428 57.4900 32.7361 173.8257 70 L 4.6154 8.8189 122.9400 55.5073 41.6485 177.1824 71 T 4.4283 8.5020 112.5361 60.7396 69.2256 173.8717 72 G 3.9491 7.2301 109.6423 45.0015 0.0000 171.2865 73 P 4.4836 0.0000 0.0000 62.1481 32.0484 175.9556 74 V 3.9836 8.0702 119.5028 62.9573 32.5002 175.4470 75 R 4.4993 9.1139 127.2123 55.1265 31.1150 175.4958 76 A 5.0905 8.5573 125.8591 50.3270 21.9023 175.3712 77 S 4.6393 8.4408 113.2927 57.3164 65.8693 173.9217 78 H 4.8082 8.7465 117.0955 55.9852 28.5610 175.0824 79 N 4.9549 7.7053 117.4464 52.6631 37.5242 175.3283 80 G 3.9632 8.5313 104.2235 47.2226 0.0000 173.0020 81 C 5.5332 7.4984 115.8594 58.0637 32.7688 172.7953 82 G 4.5171 8.5809 106.0436 46.0104 0.0000 172.0146 83 A 5.5686 8.9161 121.1739 50.4796 23.0318 175.1320 84 M 5.2174 9.0939 116.3385 53.4133 35.2473 171.9277 85 P 5.5860 0.0000 0.0000 61.7894 34.2067 173.9908 86 F 5.4066 8.8144 116.2413 56.1823 42.0963 172.4643 87 R 4.8651 9.1215 119.7162 54.4965 32.9121 174.1475 88 V 4.8904 8.6455 126.3403 61.3850 33.8370 173.9570 89 E 5.1307 9.4072 128.3549 55.3147 31.8873 175.2191 90 M 5.0479 8.4951 120.0484 54.7634 35.2461 173.1564 91 V 4.5510 8.3450 117.7962 61.1156 33.6805 174.7551 92 W 4.7067 9.3894 135.0000 56.2840 31.0959 174.5478 93 N 4.2366 9.7061 122.0857 54.4544 34.8657 175.2995 94 G 3.8437 7.9746 104.7643 45.5117 0.0000 171.3208 95 Q 4.4719 7.6036 119.8750 53.2329 29.4683 173.4222 96 P 4.7976 0.0000 0.0000 62.7443 32.0367 175.5119 97 C 5.0522 9.5584 117.2655 57.0308 33.9128 172.2435 98 A 5.1387 8.9875 118.9142 50.2961 22.6263 175.0792 99 L 5.0357 8.7211 121.6213 53.4205 45.5093 174.9717 100 D 5.0376 8.6235 126.5190 53.4474 42.1300 176.2418 101 V 4.6055 8.2703 121.9490 61.2092 35.6214 173.6704 102 I 5.0664 8.7305 127.1366 59.6922 40.3488 174.0961 103 D 5.6590 9.3255 126.0471 52.6725 43.7615 175.3206 104 V 4.5968 8.9617 122.8305 61.4534 34.2845 174.2226 105 M 5.2166 9.1170 126.5082 53.4695 36.3766 174.1356 106 R 5.0867 8.6654 122.3495 54.6851 32.8528 174.7518 107 F 5.1382 9.6921 125.5627 56.3993 41.2612 175.6191 108 D 4.8473 8.5769 121.3981 51.9979 41.6197 176.5854 109 E 4.2220 8.5662 115.0700 57.9938 29.9061 177.0880 110 H 4.7874 8.3117 115.7721 55.4430 29.2894 175.0781 111 G 3.9132 8.1957 107.5656 46.4317 0.0000 173.8832 112 R 4.7586 8.4493 118.1245 53.8900 32.4169 175.8383 113 I 3.4363 8.1637 122.0403 61.1413 37.3071 176.8232 114 Q 4.0582 8.9561 130.5347 58.9941 30.3006 176.1790 115 T 5.2776 7.5838 114.4151 62.1881 73.1839 172.7198 116 M 5.2197 9.2401 125.2906 53.8431 36.1124 174.1987 117 Q 4.9934 9.1637 122.8836 54.2329 32.8017 174.0072 118 A 5.2984 9.0448 127.2767 50.1227 21.0952 175.1340 119 Y 4.6397 9.2633 122.1318 56.8770 39.4545 175.1686 120 W 4.9712 8.0482 119.1907 56.6820 30.6007 174.3189 121 S 4.2123 8.8363 114.7268 57.6142 65.1434 174.1407 122 E 4.4448 8.8129 117.7302 59.6102 29.4693 179.4373 123 V 3.6706 7.2655 111.3441 63.9442 31.8417 176.5990 124 N 4.7876 8.7938 116.3444 52.8405 38.6625 173.5297 125 L 5.1058 7.7180 121.1678 53.7553 43.7681 175.9964 126 S 4.8531 8.8496 120.8498 56.5425 67.6262 174.5047 127 V 4.0487 8.4520 121.9782 62.0884 31.0841 175.9561 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 N 8.37 4.70 0.00 2.71 2.85 0.00 0.00 6.89 6.97 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 3 L 8.30 3.87 0.00 1.66 1.60 0.99 0.63 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 4 P 0.00 4.40 0.00 1.80 1.65 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 5 T 9.41 4.16 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 6 A 8.42 3.90 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 7 Q 7.95 3.88 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 8 E 7.97 3.83 0.00 2.15 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 9 V 7.87 3.04 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 1.07 0.00 0.00 0.71 0.00 0.00 10 Q 8.22 4.07 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 11 G 7.92 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.83 4.03 0.00 1.36 1.75 0.30 0.72 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 13 M 8.26 4.16 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.80 0.00 14 A 8.09 3.97 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.98 3.88 0.00 1.99 2.08 0.00 3.08 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 16 S 8.08 4.05 0.00 4.01 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 17 I 7.34 3.50 1.90 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.83 0.00 0.00 18 E 7.88 3.92 0.00 2.04 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 2.31 2.50 0.00 19 L 8.13 3.92 0.00 1.72 1.64 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.52 3.51 2.19 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 0.89 0.00 0.00 0.95 0.00 0.00 21 D 8.18 4.46 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.76 4.06 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 0.78 0.00 0.00 1.04 0.00 0.00 23 G 8.13 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 24 D 7.74 4.60 0.00 2.70 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 25 I 7.83 3.67 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.76 0.97 0.00 0.00 26 E 8.18 3.97 0.00 2.01 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 0.00 2.41 2.39 0.00 27 A 7.92 4.03 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 28 I 7.99 3.71 1.73 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.30 0.00 0.00 29 V 7.90 3.80 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 1.05 0.00 0.00 1.08 0.00 0.00 30 Q 7.87 4.16 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.14 4.21 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 32 Y 7.33 4.75 0.00 3.14 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 33 A 8.51 4.26 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 34 D 8.89 4.47 0.00 2.86 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.83 4.69 0.00 2.81 2.79 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 36 A 7.83 4.60 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.65 4.93 4.10 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 0.00 0.00 0.00 1.20 0.00 0.00 38 V 8.48 4.73 1.79 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 0.62 0.00 0.00 0.72 0.00 0.00 39 E 9.22 4.74 0.00 1.96 1.74 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 2.12 2.17 0.00 40 N 8.22 5.18 0.00 2.48 2.30 0.00 0.00 7.26 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 41 P 0.00 4.47 0.00 1.31 0.49 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.06 0.00 42 F 8.56 4.00 0.00 2.45 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 0.00 0.00 0.00 0.00 43 G 7.90 3.53 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 0.00 44 Q 7.14 4.26 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 45 P 0.00 4.29 0.00 2.03 1.92 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 46 P 0.00 4.71 0.00 1.85 1.92 0.00 3.69 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 1.95 1.89 0.00 47 I 8.48 4.61 1.89 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.87 0.00 0.00 48 H 8.90 5.14 0.00 2.97 3.19 0.00 5.87 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 49 G 9.21 4.16 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 0.00 50 R 8.38 3.93 0.00 1.92 2.02 0.00 3.19 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 51 E 8.38 3.90 0.00 2.01 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 2.40 2.37 0.00 52 Q 8.01 4.04 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 53 I 7.66 3.77 1.96 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.59 0.00 0.00 54 A 8.22 4.14 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 55 A 8.13 3.99 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 56 F 8.32 3.89 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 57 Y 8.18 4.05 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.05 0.00 1.74 2.01 0.00 3.19 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 59 Q 7.97 4.11 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 60 G 7.79 3.39 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 0.00 61 L 7.65 4.38 0.00 1.70 1.64 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.43 4.02 0.00 1.75 1.79 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 66 V 8.22 4.75 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 0.90 0.00 0.00 0.97 0.00 0.00 67 R 8.99 5.03 0.00 1.79 1.84 0.00 3.13 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 68 A 9.12 5.35 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.00 4.91 0.00 2.91 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 70 L 8.82 4.62 0.00 1.56 1.82 0.92 0.95 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 71 T 8.50 4.43 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 1.32 0.00 0.00 72 G 7.23 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.48 0.00 2.19 2.07 0.00 3.78 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 1.99 1.95 0.00 74 V 8.07 3.98 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 0.87 0.00 0.00 0.94 0.00 0.00 75 R 9.11 4.50 0.00 1.97 1.84 0.00 3.28 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 76 A 8.56 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.44 4.64 0.00 3.92 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 78 H 8.75 4.81 0.00 3.18 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.71 4.95 0.00 2.76 2.87 0.00 0.00 6.91 7.91 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 80 G 8.53 3.96 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 0.00 0.00 0.00 81 C 7.50 5.53 0.00 2.88 2.83 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 82 G 8.58 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 0.00 0.00 0.00 0.00 83 A 8.92 5.57 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 9.09 5.22 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 85 P 0.00 5.59 0.00 2.17 2.23 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 86 F 8.81 5.41 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.12 4.87 0.00 1.98 1.81 0.00 3.07 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 88 V 8.65 4.89 1.98 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 1.02 0.00 0.00 1.06 0.00 0.00 89 E 9.41 5.13 0.00 1.93 1.84 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 2.25 2.24 0.00 90 M 8.50 5.05 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 91 V 8.34 4.55 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 0.86 0.00 0.00 0.96 0.00 0.00 92 W 9.39 4.71 0.00 3.29 3.19 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 93 N 9.71 4.24 0.00 2.40 2.63 0.00 0.00 7.19 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 94 G 7.97 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 95 Q 7.60 4.47 0.00 2.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 96 P 0.00 4.80 0.00 2.06 2.02 0.00 3.66 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 2.04 2.09 0.00 97 C 9.56 5.05 0.00 3.08 3.08 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 98 A 8.99 5.14 1.19 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 99 L 8.72 5.04 0.00 1.45 1.19 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.62 5.04 0.00 2.59 2.52 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 0.00 101 V 8.27 4.61 0.67 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 1.13 0.00 0.00 0.51 0.00 0.00 102 I 8.73 5.07 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.95 0.00 0.00 103 D 9.33 5.66 0.00 2.97 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 0.00 104 V 8.96 4.60 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 1.07 0.00 0.00 0.88 0.00 0.00 105 M 9.12 5.22 0.00 1.40 1.78 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 106 R 8.67 5.09 0.00 1.85 1.72 0.00 3.10 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 107 F 9.69 5.14 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.85 0.00 2.95 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.57 4.22 0.00 2.08 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 2.06 2.18 0.00 110 H 8.31 4.79 0.00 3.30 3.41 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.20 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.45 4.76 0.00 2.26 1.88 0.00 3.18 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 113 I 8.16 3.44 1.06 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.10 0.52 0.00 0.00 114 Q 8.96 4.06 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 115 T 7.58 5.28 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 1.24 0.00 0.00 116 M 9.24 5.22 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 117 Q 9.16 4.99 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 118 A 9.04 5.30 1.59 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 0.00 119 Y 9.26 4.64 0.00 3.15 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.05 4.97 0.00 3.31 2.92 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 0.00 121 S 8.84 4.21 0.00 3.84 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 0.00 122 E 8.81 4.44 0.00 2.13 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 0.00 2.42 2.44 0.00 123 V 7.27 3.67 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 0.68 0.00 0.00 0.97 0.00 0.00 124 N 8.79 4.79 0.00 3.03 2.97 0.00 0.00 6.38 6.70 0.00 0.00 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 7.72 5.11 0.00 1.80 1.62 0.81 0.70 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 0.00 126 S 8.85 4.85 0.00 3.76 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 0.00 127 V 8.45 4.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.