NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4701 8.3349 116.7931 57.9231 65.0397 173.9468 0 M 4.5704 7.6619 118.1328 52.0769 34.7427 173.7251 1 S 4.2375 9.4905 119.7118 58.1836 64.3938 172.6986 2 K 4.8772 8.6034 126.0906 54.8145 34.7176 175.1229 3 T 5.3491 8.6661 113.9247 59.8741 72.2847 172.7943 4 I 4.4475 8.4708 122.6293 59.1385 41.0900 174.0840 5 V 4.6859 8.3967 128.6432 61.1924 33.4361 174.2586 6 L 4.7995 8.8991 128.9185 53.0067 43.8311 175.5638 7 S 4.9921 8.6393 118.0401 56.4666 65.3437 173.8488 8 V 4.1396 8.1746 123.6292 61.4290 32.8764 176.3852 9 G 3.8084 8.4486 119.4322 46.3492 0.0000 173.6758 10 E 3.9902 8.8408 121.7398 58.2948 30.3295 177.3463 11 A 4.1951 7.8341 121.5340 52.3973 19.1213 175.6790 12 T 5.0458 8.1393 114.1142 60.3477 70.9383 173.3269 13 R 4.6535 9.4519 125.7253 54.7791 34.0051 174.1259 14 T 4.7476 8.5831 120.3589 61.8441 71.1884 173.1195 15 L 4.9835 8.8166 127.5939 53.6946 43.6729 175.6794 16 T 5.1221 9.2010 121.8193 61.5130 70.9929 173.6465 17 E 4.0215 9.0173 128.4966 56.3141 29.5973 176.3100 18 I 4.3837 8.4896 120.3360 60.8869 39.2228 175.3523 19 Q 4.4542 7.5072 122.5880 55.6674 32.4417 173.2304 20 S 5.0132 8.3737 120.2566 58.1935 63.7269 173.8636 21 T 4.3000 8.3781 117.6149 59.9982 70.6943 175.1447 22 A 4.1258 8.6289 123.6464 55.4009 18.7353 178.3074 23 D 4.6769 8.1221 114.7043 54.6633 41.4656 176.4309 24 R 5.1368 8.4144 118.9201 54.4610 33.1995 174.9286 25 Q 5.0202 9.3505 122.2737 54.3181 33.9327 174.1679 26 I 5.0280 8.3626 121.4032 59.8163 40.9731 174.5094 27 F 5.3199 9.7641 125.8443 55.8705 42.2071 174.2799 28 E 5.0745 9.1894 121.6564 54.7231 33.7188 173.8832 29 E 4.6554 8.8158 126.7644 53.8117 29.8038 177.4809 30 K 4.4484 8.1658 132.6021 54.9164 31.3793 177.2118 31 V 4.4387 7.1537 116.8638 61.2214 35.2461 176.6349 32 G 3.8191 8.6325 107.2999 43.7157 0.0000 171.1457 33 P 4.3719 0.0000 0.0000 62.5320 31.9637 177.3855 34 L 4.1872 8.5691 121.7321 57.3209 41.8382 178.2235 35 V 4.0078 7.0780 115.6886 61.6133 32.4418 175.9024 36 G 3.8009 8.6694 110.3649 46.7801 0.0000 173.8650 37 R 4.1612 7.9161 117.6061 54.9203 31.1620 176.5033 38 L 4.3129 8.4157 123.7303 55.5644 43.3595 175.6071 39 R 5.1210 8.8017 124.9794 54.5056 34.2259 173.4830 40 L 5.2859 9.1667 126.5755 53.7847 45.4267 174.8871 41 T 5.2444 9.0005 122.8720 61.8291 71.2780 173.3713 42 A 5.4591 9.1742 127.2704 50.4191 23.0858 174.8865 43 S 5.0969 9.0040 114.0424 57.4376 67.4618 173.1609 44 L 4.7871 8.2183 121.3906 54.6465 44.7604 174.4592 45 R 4.8303 8.9501 125.1583 54.5587 34.5733 174.3688 46 Q 4.7674 8.7161 123.5411 54.7722 30.8526 174.8827 47 N 4.5440 8.7967 122.7482 52.2246 38.6112 176.3192 48 G 3.5884 8.7795 108.5022 48.7637 0.0000 175.0793 49 A 3.9796 7.8354 121.1009 52.8311 18.5694 177.7217 50 K 3.7649 7.8542 114.0485 57.6546 29.9797 176.6641 51 T 4.4757 7.9426 109.5214 62.1826 70.4520 173.7523 52 A 5.0056 7.6026 122.6564 51.0041 23.0196 174.3978 53 Y 5.2029 9.5214 116.6158 56.2246 42.4389 175.3271 54 R 5.0373 9.3815 121.3499 54.5899 33.1854 174.8487 55 V 4.6044 8.5105 125.1817 62.0053 33.4600 174.4881 56 N 5.8497 8.8127 123.6865 50.4281 42.1867 173.2890 57 L 5.2890 8.6855 122.7465 52.8102 45.8807 175.6402 58 K 4.8028 9.2549 123.6495 54.9000 35.5266 174.6657 59 L 4.9704 8.8905 131.3533 54.0017 43.7395 174.7199 60 D 5.3260 8.9539 127.3541 52.8110 43.1528 175.3368 61 Q 4.7391 9.1446 125.6320 54.2188 30.9791 174.6123 62 A 4.7503 8.6122 128.3891 51.4855 20.3303 175.6878 63 D 4.5829 8.7461 119.9356 52.4345 43.2998 174.9769 64 V 4.6823 8.2654 126.1471 61.2672 32.9147 175.0762 65 V 4.4024 8.5118 120.6644 59.6689 34.9915 174.2989 66 D 5.0697 8.6211 124.0814 52.3636 40.8489 175.0996 67 S 4.5039 8.5092 114.0284 57.1281 63.8309 176.6272 68 G 4.4270 7.5791 120.4746 47.0351 0.0000 172.5088 *75 L 4.6161 7.3687 118.4769 52.9424 42.8729 175.3306 76 P 4.6329 0.0000 0.0000 63.1723 32.4032 175.8107 77 K 4.5201 8.3211 122.4923 55.0439 36.1059 175.0277 78 V 4.0783 8.4045 128.0229 63.2462 31.5395 175.3982 79 R 4.3143 9.3417 130.2098 58.9401 30.5906 175.4877 80 Y 5.0192 7.0183 114.4806 56.1814 41.9534 173.1508 81 T 5.1616 8.5658 115.3725 62.0391 71.8912 173.6574 82 Q 4.8697 9.0428 124.8648 54.2753 31.8843 174.8547 83 V 4.9733 8.2749 120.6091 61.0282 35.3184 174.5701 84 W 4.9434 9.2584 135.0000 55.9053 33.1018 174.0935 85 S 5.5178 8.8784 121.5420 57.1685 65.5121 173.0282 86 H 5.1347 9.4542 117.1298 54.2672 33.1540 172.5885 87 D 4.9469 8.7661 120.1797 53.0323 43.8072 174.3015 88 V 4.3966 8.8809 127.2620 61.4754 33.8195 174.3894 89 T 4.8158 8.6219 124.9190 62.4209 69.7432 174.0268 90 I 4.5387 8.6975 128.2232 59.4311 40.0385 175.1986 91 V 4.4001 8.4056 126.7688 61.8787 32.6125 176.7067 92 A 4.2327 9.0934 131.6783 55.2749 18.3724 178.2310 93 N 4.8581 8.0079 110.7972 52.7329 37.6453 175.3308 94 S 4.3975 7.6273 113.2447 58.6614 64.1133 174.3487 95 T 4.2977 7.7245 112.1241 61.0985 70.9099 175.5563 96 E 3.8982 8.6414 122.7941 59.4154 29.8223 178.7966 97 A 4.0404 8.0953 120.6382 55.3772 18.3845 179.6364 98 S 4.1436 8.2092 112.5618 61.6858 63.1223 177.0010 99 R 3.9585 7.9293 121.3474 58.7663 29.7491 178.8880 100 K 4.0101 8.5470 119.9632 59.4525 32.1281 178.7942 101 S 4.0891 8.6230 113.8705 61.2609 62.3455 175.7431 102 L 3.9487 8.0465 123.0337 58.3433 41.7195 178.3500 103 Y 3.9235 8.0755 119.2027 60.9733 38.8424 177.7399 104 D 4.2710 8.5719 120.1552 57.3389 40.7921 178.8704 105 L 4.0380 8.1496 119.6036 57.8318 41.5709 179.6245 106 T 3.8332 7.8243 115.8874 66.2728 68.3351 176.5990 107 K 3.6275 7.9196 121.9471 59.5510 31.9219 178.7308 108 S 4.0419 7.7933 111.9861 61.1058 62.6088 175.5320 109 L 4.0715 8.1478 123.3152 58.3568 41.6964 179.0962 110 V 3.6938 7.8030 116.6658 66.0379 31.5216 177.5359 111 A 4.1131 7.7051 118.8471 53.4394 18.8457 177.9878 112 T 4.0483 7.4299 108.9894 61.2690 69.6328 175.9922 113 S 4.2010 8.6404 118.9307 61.3721 62.9845 176.7136 114 Q 3.9677 8.0747 121.7236 59.0354 28.5282 178.7930 115 V 3.6204 7.7419 118.8032 65.7216 31.5406 177.4298 116 E 3.9935 8.3229 119.2209 59.6254 29.3956 178.4210 117 D 4.3514 8.3052 117.9032 57.1131 41.2385 177.9719 118 L 4.2512 7.8640 122.2124 57.6279 41.9240 179.2298 119 V 3.4498 7.5935 116.6471 66.0204 31.6634 177.9287 120 V 3.7884 8.0750 117.0037 65.2603 31.5505 176.1792 121 N 4.8160 7.9884 112.3680 51.9362 40.1874 174.6568 122 L 3.7192 7.8125 116.8093 55.4855 39.7187 174.4237 123 V 3.8155 7.5420 118.8070 61.5736 32.0866 173.9104 124 P 4.4468 0.0000 0.0000 62.4570 31.8075 176.0959 125 L 4.2050 8.0598 120.5385 54.9050 42.3333 177.4567 126 G 3.9513 10.4888 109.5176 46.5000 0.0000 174.2488 127 R 4.1897 8.2043 122.0895 56.4446 31.1248 175.0845 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 -1 S 8.33 4.47 0.00 3.87 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 M 7.66 4.57 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 1 S 9.49 4.24 0.00 3.83 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 2 K 8.60 4.88 0.00 1.75 1.79 0.00 1.70 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 3 T 8.67 5.35 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 4 I 8.47 4.45 1.50 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 0.95 1.56 0.41 0.00 0.00 5 V 8.40 4.69 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.92 0.00 0.00 6 L 8.90 4.80 0.00 1.57 1.50 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.64 4.99 0.00 3.81 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 8 V 8.17 4.14 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 0.80 0.00 0.00 0.91 0.00 0.00 9 G 8.45 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.84 3.99 0.00 1.94 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 2.28 2.30 0.00 11 A 7.83 4.20 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 12 T 8.14 5.05 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 13 R 9.45 4.65 0.00 1.69 1.75 0.00 3.13 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 14 T 8.58 4.75 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 1.23 0.00 0.00 15 L 8.82 4.98 0.00 1.64 1.70 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 T 9.20 5.12 4.36 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 1.23 0.00 0.00 17 E 9.02 4.02 0.00 1.65 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 0.00 1.99 1.47 0.00 18 I 8.49 4.38 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 1.19 0.76 0.97 0.00 0.00 19 Q 7.51 4.45 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 20 S 8.37 5.01 0.00 3.85 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 21 T 8.38 4.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 A 8.63 4.13 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 23 D 8.12 4.68 0.00 2.94 2.95 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 24 R 8.41 5.14 0.00 1.89 1.79 0.00 3.06 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 25 Q 9.35 5.02 0.00 2.06 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 26 I 8.36 5.03 1.81 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 1.25 0.66 0.93 0.00 0.00 27 F 9.76 5.32 0.00 2.90 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 28 E 9.19 5.07 0.00 2.00 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 2.22 2.37 0.00 29 E 8.82 4.66 0.00 2.03 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 2.30 2.27 0.00 30 K 8.17 4.45 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.37 7.81 31 V 7.15 4.44 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 0.73 0.00 0.00 0.93 0.00 0.00 32 G 8.63 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 33 P 0.00 4.37 0.00 2.18 1.98 0.00 3.60 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 2.10 2.11 0.00 34 L 8.57 4.19 0.00 1.63 1.74 0.92 0.92 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 35 V 7.08 4.01 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 0.66 0.00 0.00 0.92 0.00 0.00 36 G 8.67 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 37 R 7.92 4.16 0.00 1.98 2.02 0.00 3.23 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 38 L 8.42 4.31 0.00 1.78 1.56 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.80 5.12 0.00 1.94 1.73 0.00 3.12 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 40 L 9.17 5.29 0.00 1.75 1.51 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.00 5.24 4.31 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 1.30 0.00 0.00 42 A 9.17 5.46 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.00 5.10 0.00 3.90 3.97 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 44 L 8.22 4.79 0.00 1.65 1.59 0.93 1.02 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 45 R 8.95 4.83 0.00 1.82 1.77 0.00 3.19 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 46 Q 8.72 4.77 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.06 0.00 0.00 0.00 0.00 0.00 1.99 1.44 0.00 47 N 8.80 4.54 0.00 2.82 2.88 0.00 0.00 6.97 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.84 3.98 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 50 K 7.85 3.76 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.45 7.81 51 T 7.94 4.48 4.21 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 1.18 0.00 0.00 52 A 7.60 5.01 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 53 Y 9.52 5.20 0.00 2.82 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 54 R 9.38 5.04 0.00 1.68 1.87 0.00 3.50 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 55 V 8.51 4.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 56 N 8.81 5.85 0.00 2.72 2.71 0.00 0.00 6.66 6.12 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 57 L 8.69 5.29 0.00 1.60 1.53 0.79 0.76 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 58 K 9.25 4.80 0.00 1.82 1.69 0.00 1.70 0.00 0.00 1.93 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 59 L 8.89 4.97 0.00 1.85 1.61 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.95 5.33 0.00 2.68 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 61 Q 9.14 4.74 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 A 8.61 4.75 1.25 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 0.00 0.00 0.00 63 D 8.75 4.58 0.00 1.73 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 64 V 8.27 4.68 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 0.83 0.00 0.00 0.93 0.00 0.00 65 V 8.51 4.40 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 0.73 0.00 0.00 0.91 0.00 0.00 66 D 8.62 5.07 0.00 2.62 2.53 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 67 S 8.51 4.50 0.00 4.02 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 68 G 7.58 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 4.62 0.00 1.67 1.67 0.92 1.14 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 76 P 0.00 4.63 0.00 1.92 1.98 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 77 K 8.32 4.52 0.00 1.84 1.58 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.42 7.81 78 V 8.40 4.08 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 0.78 0.00 0.00 0.90 0.00 0.00 79 R 9.34 4.31 0.00 1.74 1.76 0.00 3.39 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 80 Y 7.02 5.02 0.00 3.07 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 81 T 8.57 5.16 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 1.26 0.00 0.00 82 Q 9.04 4.87 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 83 V 8.27 4.97 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 0.93 0.00 0.00 1.02 0.00 0.00 84 W 9.26 4.94 0.00 3.52 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 85 S 8.88 5.52 0.00 4.09 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 86 H 9.45 5.13 0.00 3.05 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.77 4.95 0.00 2.67 2.56 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 88 V 8.88 4.40 2.14 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 0.97 0.00 0.00 1.00 0.00 0.00 89 T 8.62 4.82 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 90 I 8.70 4.54 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.23 0.99 0.00 0.00 91 V 8.41 4.40 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 0.96 0.00 0.00 92 A 9.09 4.23 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 93 N 8.01 4.86 0.00 2.84 2.93 0.00 0.00 6.03 7.64 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 94 S 7.63 4.40 0.00 4.05 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 95 T 7.72 4.30 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 96 E 8.64 3.90 0.00 2.05 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 0.00 2.37 2.36 0.00 97 A 8.10 4.04 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 98 S 8.21 4.14 0.00 4.10 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 99 R 7.93 3.96 0.00 2.05 2.04 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 100 K 8.55 4.01 0.00 1.89 2.07 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.63 7.81 101 S 8.62 4.09 0.00 3.99 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 0.00 102 L 8.05 3.95 0.00 1.99 1.90 0.95 0.76 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 0.00 103 Y 8.08 3.92 0.00 3.16 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 0.00 104 D 8.57 4.27 0.00 2.74 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 0.00 105 L 8.15 4.04 0.00 1.72 1.70 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.82 3.83 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 1.20 0.00 0.00 107 K 7.92 3.63 0.00 1.23 1.68 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.25 7.81 108 S 7.79 4.04 0.00 3.97 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 0.00 109 L 8.15 4.07 0.00 1.93 1.85 0.94 1.08 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 0.00 110 V 7.80 3.69 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 0.68 0.00 0.00 1.05 0.00 0.00 111 A 7.71 4.11 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 0.00 112 T 7.43 4.05 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 1.26 0.00 0.00 113 S 8.64 4.20 0.00 4.08 4.18 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 0.00 114 Q 8.07 3.97 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 115 V 7.74 3.62 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 1.19 0.00 0.00 1.04 0.00 0.00 116 E 8.32 3.99 0.00 2.13 2.14 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 2.34 2.38 0.00 117 D 8.31 4.35 0.00 3.11 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.86 4.25 0.00 1.92 1.84 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.59 3.45 2.16 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 0.88 0.00 0.00 0.69 0.00 0.00 120 V 8.08 3.79 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 0.91 0.00 0.00 1.02 0.00 0.00 121 N 7.99 4.82 0.00 2.96 2.79 0.00 0.00 7.12 7.72 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 0.00 122 L 7.81 3.72 0.00 1.79 1.75 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.54 3.82 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 0.99 0.00 0.00 0.96 0.00 0.00 124 P 0.00 4.45 0.00 2.07 1.96 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 125 L 8.06 4.20 0.00 1.63 1.73 0.91 1.03 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 0.00 126 G 10.49 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 0.00 127 R 8.20 4.19 0.00 1.75 1.77 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.