NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6323 0.0000 0.0000 62.4637 33.4029 174.8942 2 I 4.2799 8.5946 122.5880 60.7585 38.5648 170.1067 3 V 4.5797 9.1520 121.4918 59.7706 37.2804 173.3642 4 Q 4.8658 8.4513 123.5424 54.8848 30.6501 175.5325 5 N 5.0548 9.0319 125.1860 51.6588 39.0051 175.7645 6 L 4.0288 8.2977 117.1184 57.8179 41.6128 178.5414 7 Q 4.1396 8.2176 115.3287 56.7567 28.6238 177.2573 8 G 4.2944 7.6689 107.1217 44.9401 0.0000 173.0338 9 Q 4.2971 9.0460 125.6043 55.6832 30.6376 174.9091 10 M 4.9122 8.4641 122.0511 54.6455 33.0107 175.8949 11 V 4.5810 8.7599 116.5127 59.8288 37.1114 173.7528 12 H 5.0360 8.7331 121.8174 55.5979 30.6945 173.8090 13 Q 4.6094 8.7909 127.1033 53.7322 30.5761 175.1887 14 A 4.0553 8.5700 129.0929 52.0303 19.0909 177.0090 15 I 3.7438 8.1469 121.8008 61.0135 39.0982 175.9515 16 S 4.5090 8.3770 120.7911 56.9901 64.4042 173.2676 17 P 4.3032 0.0000 0.0000 65.9233 30.9957 179.0277 18 R 3.9330 7.9160 116.3416 59.6746 30.0020 179.1666 19 T 3.8942 7.7944 114.8863 66.5748 68.4881 176.5942 20 L 4.1632 7.8256 120.4967 57.9494 41.6999 179.2915 21 N 4.3575 8.5413 116.4636 56.2884 38.4638 177.2863 22 A 4.0749 8.3819 122.4506 54.8006 18.4405 179.5774 23 W 4.3880 8.4170 126.8444 60.8569 30.8775 178.4945 24 V 3.1605 7.9424 118.2507 65.5459 30.9062 177.7602 25 K 3.8310 8.5918 120.0369 59.4843 32.0306 179.1741 26 V 3.5802 7.6650 119.4267 64.6588 31.4550 178.4870 27 V 2.8415 7.0968 118.8588 65.4640 30.9826 177.9696 28 E 3.8514 7.9535 117.4173 59.4074 29.4251 178.8643 29 E 4.0595 8.3765 117.9197 58.6398 29.8614 178.6234 30 K 4.2315 8.2108 116.2570 54.8709 33.3190 175.9825 31 A 3.5441 8.2532 121.1670 53.6377 16.6399 176.6174 32 F 3.8081 7.3624 112.0023 58.9651 37.2586 176.4431 33 S 4.5259 7.7340 113.6899 57.1060 63.2559 172.6369 34 P 4.3502 0.0000 0.0000 65.8976 30.4026 178.5821 35 E 4.0759 8.3026 116.7286 59.1998 29.2394 179.1579 36 V 3.8039 8.0048 118.5705 66.0481 31.4884 177.9615 37 I 3.8871 7.9551 119.9788 63.8777 36.9718 176.5184 38 P 4.3297 0.0000 0.0000 66.1858 31.0257 178.0262 39 M 4.0498 7.9121 116.7536 58.3834 31.9726 177.8192 40 F 3.8701 8.6176 120.1424 61.4528 39.6781 176.9316 41 S 4.0147 8.2904 114.3689 61.5837 62.4229 176.6615 42 A 3.9492 8.0241 122.4356 54.7461 18.1951 179.0181 43 L 4.2143 7.7533 115.8677 55.6718 42.1447 177.7433 44 S 4.4193 6.8553 113.5584 57.4531 63.1544 173.5306 45 E 3.9847 7.9453 120.5929 58.4868 29.5722 177.4921 46 G 3.8176 8.9491 110.5516 45.4459 0.0000 173.0387 47 A 4.3768 7.7919 123.7488 52.1488 19.0887 177.8521 48 T 4.6640 8.8429 112.8594 60.1465 71.6317 174.3883 49 P 4.4999 0.0000 0.0000 66.0111 31.2694 178.6411 50 Q 3.9842 8.5137 118.1621 59.3498 28.9287 178.0826 51 D 4.3881 8.0424 119.6890 57.5150 40.7943 178.9219 52 L 3.9444 8.0894 119.4174 57.8537 41.5117 179.3239 53 N 4.4614 8.6885 116.8121 56.6408 38.2412 177.6392 54 T 3.9344 7.7887 116.3200 66.7335 68.7919 176.2620 55 M 4.3329 8.2440 120.6907 58.7079 32.1913 178.9309 56 L 4.3798 8.2898 119.1042 57.9551 41.6093 179.2299 57 N 4.6194 8.5196 115.7007 55.6425 38.5496 176.7124 58 T 4.4381 7.7262 109.6245 62.0157 69.3133 174.7931 59 V 3.7783 7.6205 122.1933 62.4338 31.1482 175.2973 60 G 4.0567 8.5056 116.4736 44.8935 0.0000 174.6572 61 G 3.6776 8.4050 108.3292 46.5504 0.0000 173.0340 62 H 4.2222 8.5730 111.0272 56.2476 26.9628 176.9151 63 Q 4.0253 8.4148 118.6808 59.3556 28.7533 178.3157 64 A 3.9822 8.0732 120.7594 55.0528 18.4070 179.4051 65 A 3.7469 7.9826 118.7714 55.6247 18.5454 179.6950 66 M 4.0493 8.4914 117.6756 58.4288 31.9897 178.8371 67 Q 3.9884 8.4525 120.2051 59.3587 29.1918 178.1411 68 M 4.0284 8.1367 119.8275 58.1863 31.9238 178.4421 69 L 3.8942 8.0578 120.6285 58.0511 42.1843 178.9729 70 K 3.9904 8.2323 119.6288 59.4828 32.0407 178.4252 71 E 3.9140 8.3776 119.7000 59.4102 29.4467 178.9271 72 T 3.7986 8.0816 115.9200 66.6084 68.4656 176.5775 73 I 3.7980 7.9497 121.7109 64.6088 37.1651 178.1414 74 N 4.2890 8.4160 117.4421 56.4212 38.3743 177.3299 75 E 3.8559 8.3201 120.0271 59.4726 29.4763 179.3265 76 E 3.4695 8.0517 118.5434 58.8557 29.2439 179.2499 77 A 3.5713 7.5824 121.0008 54.9542 18.4521 179.5647 78 A 3.9470 7.9839 119.3843 55.2065 18.5090 179.5153 79 E 3.8461 8.1717 117.9328 58.8975 29.6794 178.6483 80 W 4.2026 8.3618 128.7136 60.8926 30.5851 177.7596 81 D 4.4757 8.1899 117.2683 57.2610 40.2750 178.3728 82 R 3.9853 7.9267 118.6337 59.1213 30.2025 177.8937 83 L 4.2569 7.5413 115.8900 55.1399 43.3315 176.7181 84 H 4.6905 7.4498 115.3488 53.3365 28.8955 171.6771 85 P 4.3053 0.0000 0.0000 64.5985 32.1225 177.4263 *96 V 4.0879 6.8926 111.0915 62.2049 32.5117 175.2610 97 G 4.0083 8.7204 107.8299 45.4207 0.0000 172.3133 98 E 4.7479 8.1967 116.9578 53.4329 32.5909 174.6940 99 P 3.9984 0.0000 0.0000 62.1832 32.2851 176.8407 100 R 4.6357 8.9121 119.7540 55.2719 32.3425 178.1885 101 G 3.7624 9.8640 107.6655 48.2813 0.0000 176.2693 102 S 4.1955 8.0730 115.9538 61.0959 63.1047 176.2479 103 D 4.3795 7.7813 122.3478 57.2397 40.4215 178.4799 104 I 3.2916 7.0791 119.1684 63.9212 37.0938 177.7038 105 A 2.5800 7.5931 118.6452 51.5934 18.2926 178.2258 106 G 3.9402 7.3233 105.1952 45.6280 0.0000 175.1126 107 T 4.1236 7.9028 111.6000 63.4430 69.1307 175.6584 108 T 4.6047 7.9196 108.8565 60.7224 69.5906 173.2572 109 S 5.0776 7.8440 116.4333 56.7756 66.0651 173.2968 110 T 4.4077 8.5321 112.7524 60.1865 71.6288 175.5727 111 L 3.8410 8.2655 122.7711 58.6603 41.8845 179.2043 112 Q 3.8740 7.8595 117.2236 58.8853 28.6052 178.3396 113 E 3.2217 8.0234 119.6286 59.1050 29.3530 179.4924 114 Q 4.1598 7.8143 117.8975 59.1742 28.9730 178.8547 115 I 3.8015 8.0080 121.2723 64.1974 37.0130 178.7195 116 G 3.4597 8.0184 106.6546 47.6624 0.0000 175.7713 117 W 4.4502 7.9288 122.0751 59.7843 28.8540 178.5950 118 M 4.2990 8.3352 117.6548 57.3866 31.4539 177.1620 119 T 4.4579 7.3078 106.2639 61.2395 69.8007 174.0635 120 H 4.2893 7.8747 121.8886 56.4170 30.4155 174.2562 121 N 4.8416 7.9604 120.5203 50.7930 39.6335 172.9501 122 P 4.6894 0.0000 0.0000 60.8746 32.9009 174.1024 123 P 4.7340 0.0000 0.0000 62.4611 32.1994 176.0999 124 I 4.3890 8.4108 121.5682 59.0947 38.0619 175.3740 125 P 4.6180 0.0000 0.0000 61.9002 28.4765 176.8229 126 V 3.3719 7.8017 119.3788 64.8587 31.8385 178.0063 127 G 3.9169 7.8344 106.6690 47.3089 0.0000 175.5866 128 E 3.9427 7.9818 120.5607 58.9566 29.5276 179.3532 129 I 3.4409 7.7339 120.1071 64.3971 37.0552 177.8090 130 Y 3.6334 7.5853 120.4316 60.4552 38.4975 178.0264 131 K 3.8918 8.2369 119.7941 59.6283 32.1184 179.1678 132 R 3.9621 7.8422 118.7376 59.2630 30.0447 178.6494 133 W 4.4171 8.1800 118.8192 59.9072 29.0895 178.6063 134 I 3.6591 8.2024 120.1764 64.4397 36.5092 178.5753 135 I 3.7157 8.1597 121.0527 64.2441 36.8999 178.3443 136 L 4.1417 8.2965 120.1344 57.8758 41.4681 179.9188 137 G 3.5613 8.1244 105.5217 47.7315 0.0000 175.8093 138 L 3.9761 8.3850 121.8486 57.5705 41.5347 179.2588 139 N 4.3763 8.6907 116.8033 56.3007 38.4284 177.6011 140 K 3.9033 7.8569 119.3386 59.3738 32.0364 179.4681 141 I 3.1044 7.4377 120.0033 64.0885 36.9267 178.5620 142 V 3.8336 7.9561 120.7209 65.4092 31.1287 177.8603 143 R 3.8513 7.8659 117.2188 59.8154 29.9871 177.8206 144 M 4.1773 7.8634 116.5509 58.5307 32.3559 177.0167 145 Y 4.7478 8.0129 114.7455 57.8049 38.6628 175.9687 146 S 4.2935 7.4292 115.0083 57.8960 64.0018 174.5954 *147 G 3.7113 8.4031 108.7434 45.9337 0.0000 172.8222 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 P 0.00 4.63 0.00 2.07 2.33 0.00 3.71 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 1.89 1.91 0.00 2 I 8.59 4.28 1.87 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 1.22 1.08 0.94 0.00 0.00 3 V 9.15 4.58 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 0.62 0.00 0.00 0.96 0.00 0.00 4 Q 8.45 4.87 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 5 N 9.03 5.05 0.00 2.95 2.95 0.00 0.00 6.55 6.22 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 6 L 8.30 4.03 0.00 1.65 1.77 0.91 0.88 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 7 Q 8.22 4.14 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.32 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 8 G 7.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 9.05 4.30 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 10 M 8.46 4.91 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 11 V 8.76 4.58 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 0.67 0.00 0.00 0.92 0.00 0.00 12 H 8.73 5.04 0.00 3.13 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.79 4.61 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 14 A 8.57 4.06 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 15 I 8.15 3.74 1.88 0.00 0.00 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 1.30 0.83 0.93 0.00 0.00 16 S 8.38 4.51 0.00 3.91 3.69 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 0.00 0.00 0.00 0.00 17 P 0.00 4.30 0.00 2.21 2.12 0.00 3.67 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 2.12 2.20 0.00 18 R 7.92 3.93 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 19 T 7.79 3.89 4.41 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 1.20 0.00 0.00 20 L 7.83 4.16 0.00 1.93 1.81 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.54 4.36 0.00 2.75 2.88 0.00 0.00 6.94 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.38 4.07 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 23 W 8.42 4.39 0.00 3.44 3.40 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 24 V 7.94 3.16 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 0.89 0.00 0.00 1.01 0.00 0.00 25 K 8.59 3.83 0.00 1.85 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.42 7.81 26 V 7.66 3.58 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 0.77 0.00 0.00 0.93 0.00 0.00 27 V 7.10 2.84 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 -0.57 0.00 0.00 28 E 7.95 3.85 0.00 1.88 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 0.00 2.35 2.41 0.00 29 E 8.38 4.06 0.00 1.92 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 2.30 2.38 0.00 30 K 8.21 4.23 0.00 1.74 1.80 0.00 1.97 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.55 7.81 31 A 8.25 3.54 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 32 F 7.36 3.81 0.00 3.53 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 33 S 7.73 4.53 0.00 4.09 3.75 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 34 P 0.00 4.35 0.00 2.23 2.15 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 35 E 8.30 4.08 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 36 V 8.00 3.80 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 1.28 0.00 0.00 0.78 0.00 0.00 37 I 7.96 3.89 2.05 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 1.67 1.06 0.99 0.00 0.00 38 P 0.00 4.33 0.00 2.30 2.35 0.00 4.06 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 2.27 2.07 0.00 39 M 7.91 4.05 0.00 2.52 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.72 0.00 40 F 8.62 3.87 0.00 2.97 3.24 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 0.00 41 S 8.29 4.01 0.00 4.07 3.86 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 42 A 8.02 3.95 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 43 L 7.75 4.21 0.00 1.42 1.62 1.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 S 6.86 4.42 0.00 3.42 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 45 E 7.95 3.98 0.00 1.90 1.89 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 2.25 2.39 0.00 46 G 8.95 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 47 A 7.79 4.38 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.84 4.66 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 1.23 0.00 0.00 49 P 0.00 4.50 0.00 2.27 2.21 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 50 Q 8.51 3.98 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 51 D 8.04 4.39 0.00 2.93 2.69 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 0.00 0.00 0.00 0.00 52 L 8.09 3.94 0.00 1.92 1.55 0.91 0.38 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 53 N 8.69 4.46 0.00 2.95 2.97 0.00 0.00 7.04 7.48 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 54 T 7.79 3.93 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 1.26 0.00 0.00 55 M 8.24 4.33 0.00 1.79 2.19 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 56 L 8.29 4.38 0.00 1.79 1.85 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.52 4.62 0.00 2.84 2.95 0.00 0.00 7.08 7.90 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 58 T 7.73 4.44 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 1.34 0.00 0.00 59 V 7.62 3.78 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 0.86 0.00 0.00 0.97 0.00 0.00 60 G 8.51 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 61 G 8.40 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 0.00 0.00 0.00 62 H 8.57 4.22 0.00 3.50 3.58 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.41 4.03 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 64 A 8.07 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 65 A 7.98 3.75 1.03 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 0.00 0.00 66 M 8.49 4.05 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.98 0.00 67 Q 8.45 3.99 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 68 M 8.14 4.03 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.49 0.00 69 L 8.06 3.89 0.00 1.78 1.85 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.23 3.99 0.00 2.00 1.99 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 71 E 8.38 3.91 0.00 2.12 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 2.28 2.36 0.00 72 T 8.08 3.80 4.39 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 1.21 0.00 0.00 73 I 7.95 3.80 2.17 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.93 1.26 0.00 0.00 74 N 8.42 4.29 0.00 2.89 2.84 0.00 0.00 7.09 8.33 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 75 E 8.32 3.86 0.00 2.06 1.89 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 2.27 2.57 0.00 76 E 8.05 3.47 0.00 1.16 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 0.00 0.00 0.00 2.19 2.12 0.00 77 A 7.58 3.57 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 78 A 7.98 3.95 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 79 E 8.17 3.85 0.00 2.10 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 2.27 2.35 0.00 80 W 8.36 4.20 0.00 3.78 3.38 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 81 D 8.19 4.48 0.00 2.91 2.76 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 82 R 7.93 3.99 0.00 1.78 2.09 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 L 7.54 4.26 0.00 1.37 1.40 0.85 0.85 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 84 H 7.45 4.69 0.00 2.79 2.99 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.31 0.00 2.19 2.26 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 *96 V 6.89 4.09 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 1.04 0.00 0.00 0.92 0.00 0.00 97 G 8.72 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 98 E 8.20 4.75 0.00 2.17 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 2.31 2.40 0.00 99 P 0.00 4.00 0.00 1.26 0.49 0.00 3.47 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 0.00 100 R 8.91 4.64 0.00 1.89 1.94 0.00 3.34 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 101 G 9.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.07 4.20 0.00 4.06 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 0.00 103 D 7.78 4.38 0.00 2.63 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 0.00 104 I 7.08 3.29 1.40 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 0.60 -0.25 -0.24 0.00 0.00 105 A 7.59 2.58 1.14 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 0.00 0.00 106 G 7.32 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 0.00 107 T 7.90 4.12 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 1.21 0.00 0.00 108 T 7.92 4.60 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 1.23 0.00 0.00 109 S 7.84 5.08 0.00 4.19 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.53 4.41 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 1.23 0.00 0.00 111 L 8.27 3.84 0.00 1.88 1.63 0.70 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.86 3.87 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 113 E 8.02 3.22 0.00 1.75 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 0.00 0.00 0.00 1.86 2.08 0.00 114 Q 7.81 4.16 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 115 I 8.01 3.80 1.79 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 1.59 1.25 0.88 0.00 0.00 116 G 8.02 3.46 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 0.00 117 W 7.93 4.45 0.00 3.59 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 0.00 118 M 8.34 4.30 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 119 T 7.31 4.46 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 0.00 120 H 7.87 4.29 0.00 3.42 3.55 0.00 5.69 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 0.00 121 N 7.96 4.84 0.00 2.63 2.69 0.00 0.00 6.95 8.02 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 0.00 122 P 0.00 4.69 0.00 2.23 2.08 0.00 3.89 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 2.04 2.00 0.00 123 P 0.00 4.73 0.00 2.26 2.28 0.00 3.76 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 2.02 2.01 0.00 124 I 8.41 4.39 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.83 0.00 0.00 125 P 0.00 4.62 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 126 V 7.80 3.37 1.86 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 0.51 0.00 0.00 1.05 0.00 0.00 127 G 7.83 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 0.00 0.00 0.00 128 E 7.98 3.94 0.00 2.07 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 2.36 2.31 0.00 129 I 7.73 3.44 1.25 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 1.34 0.52 0.14 0.00 0.00 130 Y 7.59 3.63 0.00 2.73 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 0.00 131 K 8.24 3.89 0.00 1.99 1.87 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.41 7.81 132 R 7.84 3.96 0.00 2.04 2.14 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 133 W 8.18 4.42 0.00 3.72 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.20 3.66 1.76 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.13 0.22 0.00 0.00 135 I 8.16 3.72 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.67 0.96 0.00 0.00 136 L 8.30 4.14 0.00 1.92 1.75 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.12 3.56 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 0.00 138 L 8.39 3.98 0.00 1.77 1.78 0.53 0.91 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 0.00 139 N 8.69 4.38 0.00 2.90 2.87 0.00 0.00 7.03 8.15 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 0.00 140 K 7.86 3.90 0.00 1.84 1.77 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.58 7.81 141 I 7.44 3.10 1.60 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 0.90 0.56 -0.54 0.00 0.00 142 V 7.96 3.83 2.27 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 1.17 0.00 0.00 1.16 0.00 0.00 143 R 7.87 3.85 0.00 1.94 2.10 0.00 3.30 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 1.64 1.64 0.00 144 M 7.86 4.18 0.00 1.86 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 145 Y 8.01 4.75 0.00 3.00 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 0.00 146 S 7.43 4.29 0.00 4.04 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 0.00 *147 G 8.40 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.