NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.9084 8.1627 120.1817 53.4454 33.0237 175.8590 2 D 4.5323 8.4527 123.6417 54.7377 39.2379 171.4663 3 K 5.1794 7.3916 125.6617 56.2040 36.9441 174.3144 4 V 4.2046 7.7565 113.1942 60.3883 33.1881 176.3997 5 L 3.6652 9.1942 127.2821 55.9306 39.3759 173.3679 6 N 4.6039 8.7181 116.9376 53.6983 41.6012 176.7365 7 R 2.8544 7.6969 115.0943 57.0914 32.4815 177.3211 8 E 3.9076 7.9561 115.9962 59.5185 30.2808 179.0949 9 E 3.9400 7.9752 117.8791 58.9084 29.7646 179.3753 10 S 3.6157 7.8402 115.7589 61.1671 62.5651 176.6549 11 L 3.9066 7.5696 121.5403 57.6857 41.3816 179.0692 12 Q 3.9472 8.3691 118.5003 59.1738 28.8682 179.1837 13 L 3.9684 7.6359 120.2693 58.6378 42.2468 178.7995 14 M 4.2087 7.5648 116.7076 58.6042 32.0836 177.8089 15 D 4.3933 8.4750 119.5944 57.3484 40.8646 178.4500 16 L 4.3498 8.0696 114.9474 55.6103 41.3996 177.3921 17 L 4.5674 7.3400 119.3467 53.4784 44.2318 175.8326 18 G 3.7953 8.1662 105.3576 47.0941 0.0000 173.5255 19 L 4.7985 7.6791 116.2857 51.9435 45.4507 176.8551 20 E 3.9487 8.9618 122.4316 56.8600 29.6163 178.9589 21 R 4.5841 8.5434 126.1557 55.8615 28.8352 177.2903 22 S 4.6835 8.0407 109.0702 59.3500 65.5699 173.7450 23 A 4.6335 8.6428 124.5788 52.0097 18.4955 176.0018 24 W 4.8288 8.4806 127.4088 61.8149 29.8720 174.0002 25 G 3.3768 8.7140 119.0451 45.5973 0.0000 172.8373 26 N 5.1055 8.7783 122.2482 51.6913 36.4273 174.6731 27 I 3.8007 8.0995 126.2886 64.0123 37.3738 175.7071 28 P 4.6451 0.0000 0.0000 64.9862 31.2131 178.5740 29 L 3.9572 8.0180 119.5120 58.4268 42.0130 178.7001 30 M 4.2592 8.3182 118.6848 58.5293 30.7431 178.7734 31 R 4.1863 8.9728 119.3206 58.2142 30.1511 177.5264 32 K 4.5366 7.7980 116.1952 56.8292 33.2642 177.0805 33 A 4.3961 7.7935 120.6860 53.3883 19.2091 177.7143 34 Y 4.1672 7.7628 118.4948 59.5139 38.9368 177.3706 35 L 4.0040 7.4937 117.1085 57.1542 41.5636 178.8715 36 K 3.8251 7.7108 118.4325 58.0429 32.2790 178.4519 37 K 4.1870 7.5138 118.4621 58.9596 32.5257 177.6684 38 C 4.3276 7.3167 110.8494 58.7753 29.8384 174.5318 39 K 4.3354 7.3284 122.2844 56.9811 32.9493 175.6985 40 E 4.4096 8.8134 121.7239 53.6330 29.7014 176.3440 *41 F 4.3015 8.1558 122.0886 56.1488 43.1811 173.0260 *51 K 4.5015 8.3205 117.6332 56.7353 33.4685 173.7925 52 M 4.3597 7.9704 115.5707 56.8149 31.4356 178.1493 53 K 4.1396 7.8664 120.4840 59.8912 33.5032 178.5319 54 K 4.3833 7.8625 117.7395 57.0580 32.2108 178.0101 55 M 4.3263 7.8042 117.7349 57.4580 32.1564 176.9707 56 N 4.9115 7.7881 114.7125 55.6817 39.8687 177.0559 57 T 3.8970 7.7891 114.0490 65.0679 67.6726 176.2714 58 L 4.0916 7.9075 120.5521 57.8666 41.6755 178.5647 59 Y 3.9922 7.5658 119.4633 60.9024 38.8478 178.5402 60 K 3.8917 8.1919 119.1757 59.0843 31.8519 179.2684 61 K 3.8943 7.4280 118.2319 59.6662 32.4773 178.4275 62 M 4.1034 7.7478 116.8362 58.3405 30.5813 177.7214 63 E 3.7195 7.8704 120.6147 58.4388 29.6916 177.4708 64 D 4.8270 7.6411 117.5812 53.4402 42.2258 177.0400 65 G 4.2797 7.6364 106.6261 45.9250 0.0000 175.9980 66 V 3.5028 8.1818 119.4148 65.0738 31.4438 177.5710 67 K 4.1565 7.5308 116.4412 59.3876 33.1675 177.3055 68 Y 4.1129 7.9792 121.6414 59.4202 39.4853 175.3055 69 A 4.8808 8.4858 128.9426 50.9970 16.5880 174.7605 70 H 4.4377 7.7854 127.5906 56.9511 33.9292 175.5681 71 Q 4.2411 8.0706 117.4593 53.3643 28.8440 177.9430 72 P 4.6243 0.0000 0.0000 62.5642 31.0982 175.1717 73 D 4.4396 8.5314 116.2154 56.0498 41.8953 176.0639 *94 A 4.2136 7.4742 119.8045 52.6829 18.8213 173.5939 95 I 4.5750 7.4510 112.7254 59.0012 46.4988 179.2721 96 Y 3.4767 7.0061 120.3347 59.6450 37.2784 169.6844 97 C 4.5523 8.9066 124.0962 59.5169 32.2954 173.8993 98 K 4.2404 8.7657 128.3366 57.7055 32.5148 176.3207 99 Q 4.7644 7.6406 115.6361 53.2689 31.5167 174.6321 100 W 4.5326 8.5330 130.4397 59.0319 30.2762 176.5255 101 P 2.9700 0.0000 0.0000 65.3559 31.3697 177.5203 102 E 3.9025 8.0233 115.4114 59.8190 29.3133 178.9482 103 C 4.2464 7.3091 115.6029 62.4012 28.4325 176.0576 104 V 3.6400 7.3715 119.2399 66.0122 31.1471 178.0835 105 K 3.9693 8.7623 117.4203 58.0665 32.2857 176.7226 106 K 4.1702 6.9401 114.2199 57.4166 36.8116 175.6164 107 M 4.5826 8.2108 117.9949 56.1001 31.3057 178.4323 108 S 4.3861 7.9999 116.1171 56.6531 60.5811 172.9580 109 T 4.0082 7.2832 116.6394 62.6337 70.6228 172.2982 110 N 4.8834 8.2646 118.2570 52.8116 39.2490 172.8289 111 C 4.9978 7.6400 116.3279 57.9034 35.1823 172.9475 112 I 4.5810 8.0268 123.5185 60.8347 37.8545 176.6031 113 C 4.4086 7.9584 114.9724 57.8630 31.5656 172.7830 114 L 3.9684 8.2070 123.9100 58.5045 41.5578 179.4904 115 L 4.1517 8.0264 119.4711 58.4332 42.1995 178.2919 116 C 4.0957 8.1067 116.1156 62.7639 28.2064 175.3574 117 L 3.9267 8.0653 121.8041 58.6327 41.5952 179.1111 118 L 4.1855 8.4860 120.3504 57.7248 42.1548 178.1506 119 R 4.4340 8.2123 114.2655 57.3565 29.8084 178.2181 120 M 4.1595 8.1392 123.1994 58.8274 32.2059 178.7872 121 K 3.9269 7.9694 123.8645 60.3856 31.7620 179.8244 122 H 4.5007 8.1344 119.0854 59.4168 29.5527 176.9300 123 E 4.0133 7.9808 118.8769 59.4590 29.5538 178.9259 124 N 4.3359 8.6914 117.2060 56.7364 38.7181 177.0402 125 R 4.0073 8.7935 121.3136 58.9844 29.8855 177.5462 126 K 4.2349 7.8982 116.0510 57.4539 32.9875 178.1517 127 L 3.9229 7.5948 122.7643 58.1046 41.9597 177.9074 128 Y 4.4671 7.1621 115.6065 59.6174 38.7201 176.1517 129 R 4.3313 6.8815 114.9499 55.6237 30.7284 176.1677 130 K 4.1100 8.5319 119.9176 58.2769 32.9164 176.1705 131 D 4.3575 8.1105 117.8402 53.5930 40.5399 174.9700 132 P 4.3516 0.0000 0.0000 62.2358 31.8536 176.8109 133 L 4.2302 8.2968 122.8650 55.1358 42.3290 176.1874 134 V 4.5881 7.7175 112.6483 59.8158 36.1757 175.2353 135 W 4.8266 8.1886 129.4005 56.0873 29.3512 176.0300 136 V 2.9917 6.6738 109.1083 61.5904 37.5127 174.5267 137 D 4.3854 8.1718 119.4646 56.4712 40.9829 175.8773 138 C 4.8631 8.3806 119.1678 57.9667 33.8845 173.2204 139 Y 4.6469 8.8770 123.7660 58.2163 37.8916 175.9254 140 C 4.9344 8.2002 116.6042 58.1877 31.9615 174.1593 141 F 3.9313 8.7576 122.9374 61.3315 38.9235 177.1370 142 D 4.2659 8.1455 118.3568 57.3369 40.6101 178.3574 143 C 4.2655 8.1494 116.8605 62.6729 28.1841 175.4069 144 F 3.4340 8.5029 122.3358 61.4206 37.3861 177.4671 145 R 3.4116 7.7148 117.3039 59.1758 29.5580 178.5689 146 M 4.1047 7.6758 116.9190 58.6775 32.2370 177.7639 147 W 4.0098 8.1469 127.6698 61.0118 31.2896 177.5613 148 F 4.1230 7.8523 117.2742 57.1146 39.8025 175.3405 149 G 4.0144 8.3429 107.8146 45.6740 0.0000 173.2588 150 L 4.5011 6.8927 118.7129 53.1011 43.7772 176.0404 151 D 4.9537 8.0347 118.3576 52.1730 43.8493 176.7863 152 L 4.4063 8.3498 124.8852 55.4979 40.2249 175.9556 153 C 5.1263 8.1120 118.4208 55.9575 33.6914 174.4501 154 E 3.3888 8.7627 120.2017 58.6867 28.7183 179.8358 155 G 3.6029 7.9747 105.6910 48.1205 0.0000 175.4529 156 T 4.0804 8.0539 118.5439 66.3610 68.4716 176.1830 157 L 4.1790 8.0309 121.7125 58.1425 41.9228 178.6774 158 L 3.8727 7.7292 120.4443 58.0990 41.8787 178.8333 159 L 3.9894 7.8886 119.1889 57.3606 41.7541 178.7941 160 W 3.3341 7.9577 127.5458 60.9017 30.4246 177.9929 161 C 3.9473 8.5673 116.3882 62.5271 26.9741 175.7125 162 D 4.1854 7.6630 119.8631 57.2960 40.7149 178.0310 163 I 3.9912 7.8754 118.2951 62.9912 37.5514 177.1552 164 I 4.1348 7.2015 119.9545 61.9346 38.1668 177.7227 165 G 3.8674 8.0057 106.3512 47.8609 0.0000 175.2042 166 Q 4.1601 7.5108 118.3675 57.3982 29.4227 177.2236 167 T 3.8101 6.6866 115.5419 63.5198 68.8741 174.5549 168 T 4.0881 7.8555 115.8138 60.3812 70.4648 174.3957 169 Y 3.9142 8.2628 118.7089 58.3046 36.1788 174.9547 170 R 4.3642 7.9562 123.2014 55.4978 31.6199 176.7885 171 D 4.6452 9.0495 124.7869 53.6938 39.1609 175.0850 172 L 4.4401 7.9373 123.3223 54.8358 40.8764 179.6892 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 M 8.16 3.91 0.00 1.07 0.57 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.89 0.00 2 D 8.45 4.53 0.00 3.08 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 3 K 7.39 5.18 0.00 1.88 1.74 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.21 1.18 7.81 4 V 7.76 4.20 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 0.68 0.00 0.00 1.01 0.00 0.00 5 L 9.19 3.67 0.00 1.86 1.69 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.72 4.60 0.00 3.03 2.91 0.00 0.00 7.12 7.03 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 7 R 7.70 2.85 0.00 1.99 1.86 0.00 3.26 0.00 0.00 3.35 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 8 E 7.96 3.91 0.00 2.04 1.93 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 2.37 2.41 0.00 9 E 7.98 3.94 0.00 1.98 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 0.00 2.36 2.41 0.00 10 S 7.84 3.62 0.00 2.96 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 11 L 7.57 3.91 0.00 1.74 1.62 0.89 0.69 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 12 Q 8.37 3.95 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 13 L 7.64 3.97 0.00 1.88 1.65 0.99 1.02 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 14 M 7.56 4.21 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 15 D 8.48 4.39 0.00 2.96 2.70 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 0.00 0.00 0.00 0.00 16 L 8.07 4.35 0.00 1.82 1.73 0.94 0.87 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 17 L 7.34 4.57 0.00 2.05 1.71 1.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.17 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 19 L 7.68 4.80 0.00 1.74 1.65 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.96 3.95 0.00 2.10 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 2.44 2.45 0.00 21 R 8.54 4.58 0.00 1.99 2.05 0.00 3.08 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 22 S 8.04 4.68 0.00 4.03 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 23 A 8.64 4.63 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 24 W 8.48 4.83 0.00 3.30 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 25 G 8.71 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 0.00 0.00 0.00 26 N 8.78 5.11 0.00 3.17 3.12 0.00 0.00 6.99 7.68 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 27 I 8.10 3.80 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.62 0.92 0.00 0.00 28 P 0.00 4.65 0.00 2.34 2.15 0.00 4.01 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 29 L 8.02 3.96 0.00 2.04 1.93 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.32 4.26 0.00 2.34 2.39 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 2.96 2.76 0.00 31 R 8.97 4.19 0.00 2.23 2.03 0.00 3.21 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 32 K 7.80 4.54 0.00 2.03 2.07 0.00 1.40 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.48 7.81 33 A 7.79 4.40 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 0.00 0.00 34 Y 7.76 4.17 0.00 2.76 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 35 L 7.49 4.00 0.00 1.79 1.71 1.21 0.87 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 36 K 7.71 3.83 0.00 1.81 1.82 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 37 K 7.51 4.19 0.00 1.73 1.63 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.44 7.81 38 C 7.32 4.33 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.33 4.34 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.40 7.81 40 E 8.81 4.41 0.00 1.84 1.76 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 2.17 2.18 0.00 *41 F 8.16 4.30 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 K 8.32 4.50 0.00 1.70 1.88 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 52 M 7.97 4.36 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 53 K 7.87 4.14 0.00 2.02 2.10 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.53 7.81 54 K 7.86 4.38 0.00 1.80 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.44 7.81 55 M 7.80 4.33 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 56 N 7.79 4.91 0.00 2.91 2.95 0.00 0.00 6.47 6.93 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 57 T 7.79 3.90 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 1.31 0.00 0.00 58 L 7.91 4.09 0.00 1.97 1.74 0.91 0.56 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 59 Y 7.57 3.99 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.19 3.89 0.00 1.95 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.81 7.81 61 K 7.43 3.89 0.00 1.80 1.98 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 62 M 7.75 4.10 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 63 E 7.87 3.72 0.00 1.70 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 2.24 2.32 0.00 64 D 7.64 4.83 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 65 G 7.64 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 0.00 0.00 0.00 0.00 66 V 8.18 3.50 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 0.69 0.00 0.00 0.83 0.00 0.00 67 K 7.53 4.16 0.00 1.93 1.97 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.49 7.81 68 Y 7.98 4.11 0.00 3.08 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 69 A 8.49 4.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.79 4.44 0.00 3.05 3.29 0.00 5.92 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.07 4.24 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.48 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 72 P 0.00 4.62 0.00 1.98 2.08 0.00 3.57 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 2.00 2.12 0.00 73 D 8.53 4.44 0.00 2.66 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 *94 A 7.47 4.21 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 95 I 7.45 4.57 1.71 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 1.40 0.37 0.98 0.00 0.00 96 Y 7.01 3.48 0.00 3.20 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 97 C 8.91 4.55 0.00 2.96 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 98 K 8.77 4.24 0.00 1.80 1.84 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.49 7.81 99 Q 7.64 4.76 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 100 W 8.53 4.53 0.00 3.24 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 0.00 101 P 0.00 2.97 0.00 1.86 1.51 0.00 3.54 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 1.87 1.39 0.00 102 E 8.02 3.90 0.00 1.86 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 2.40 0.00 103 C 7.31 4.25 0.00 2.79 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 0.00 104 V 7.37 3.64 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 1.22 0.00 0.00 0.61 0.00 0.00 105 K 8.76 3.97 0.00 1.62 1.75 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.37 7.81 106 K 6.94 4.17 0.00 2.02 1.97 0.00 1.28 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.12 1.20 7.81 107 M 8.21 4.58 0.00 2.02 2.12 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 2.59 2.56 0.00 108 S 8.00 4.39 0.00 4.07 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 0.00 109 T 7.28 4.01 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 0.00 110 N 8.26 4.88 0.00 2.68 2.68 0.00 0.00 6.60 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 0.00 111 C 7.64 5.00 0.00 2.98 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.03 4.58 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 1.49 0.80 0.93 0.00 0.00 113 C 7.96 4.41 0.00 3.51 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 0.00 114 L 8.21 3.97 0.00 1.67 1.84 0.86 0.11 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 0.00 115 L 8.03 4.15 0.00 1.69 1.72 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 C 8.11 4.10 0.00 3.04 2.99 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 0.00 117 L 8.07 3.93 0.00 1.88 2.06 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.49 4.19 0.00 2.34 1.95 1.06 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.21 4.43 0.00 2.17 2.23 0.00 2.88 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 120 M 8.14 4.16 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 121 K 7.97 3.93 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 122 H 8.13 4.50 0.00 3.30 3.54 0.00 5.59 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 0.00 123 E 7.98 4.01 0.00 2.14 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 2.37 2.54 0.00 124 N 8.69 4.34 0.00 2.70 3.02 0.00 0.00 6.84 7.68 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 0.00 125 R 8.79 4.01 0.00 1.88 2.23 0.00 3.18 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 126 K 7.90 4.23 0.00 1.93 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.41 7.81 127 L 7.59 3.92 0.00 1.43 0.90 0.66 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.16 4.47 0.00 3.01 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 0.00 129 R 6.88 4.33 0.00 1.80 1.99 0.00 3.19 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 130 K 8.53 4.11 0.00 1.75 1.88 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.46 7.81 131 D 8.11 4.36 0.00 2.73 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 0.00 132 P 0.00 4.35 0.00 2.07 2.03 0.00 3.70 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 2.05 2.13 0.00 133 L 8.30 4.23 0.00 1.61 1.63 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.72 4.59 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 0.93 0.00 0.00 135 W 8.19 4.83 0.00 3.47 2.70 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 0.00 0.00 0.00 0.00 136 V 6.67 2.99 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 -0.75 0.00 0.00 0.51 0.00 0.00 137 D 8.17 4.39 0.00 2.60 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 0.00 138 C 8.38 4.86 0.00 2.98 2.82 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 0.00 139 Y 8.88 4.65 0.00 3.01 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 C 8.20 4.93 0.00 3.38 3.33 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 0.00 141 F 8.76 3.93 0.00 2.11 2.82 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 0.00 142 D 8.15 4.27 0.00 2.82 2.68 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 0.00 143 C 8.15 4.27 0.00 3.46 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.50 3.43 0.00 2.72 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 0.00 145 R 7.71 3.41 0.00 1.73 1.70 0.00 2.81 0.00 0.00 2.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.00 146 M 7.68 4.10 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 147 W 8.15 4.01 0.00 3.31 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 0.00 148 F 7.85 4.12 0.00 2.54 2.82 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 0.00 149 G 8.34 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 0.00 150 L 6.89 4.50 0.00 1.51 1.55 0.39 0.82 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 0.00 151 D 8.03 4.95 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.35 4.41 0.00 1.63 1.66 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 153 C 8.11 5.13 0.00 3.28 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 0.00 154 E 8.76 3.39 0.00 1.77 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 0.00 1.47 2.14 0.00 155 G 7.97 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.05 4.08 4.73 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 1.45 0.00 0.00 157 L 8.03 4.18 0.00 1.75 1.46 0.47 0.33 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 0.00 158 L 7.73 3.87 0.00 1.70 1.94 0.84 0.56 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 0.00 159 L 7.89 3.99 0.00 2.13 1.84 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 160 W 7.96 3.33 0.00 1.98 3.25 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 0.00 161 C 8.57 3.95 0.00 2.81 2.34 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 0.00 162 D 7.66 4.19 0.00 2.74 2.82 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 0.00 163 I 7.88 3.99 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 1.72 0.82 1.40 0.00 0.00 164 I 7.20 4.13 1.27 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.32 0.51 0.00 0.00 165 G 8.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 7.51 4.16 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 167 T 6.69 3.81 3.72 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 0.35 0.00 0.00 168 T 7.86 4.09 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 1.17 0.00 0.00 169 Y 8.26 3.91 0.00 2.96 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 0.00 170 R 7.96 4.36 0.00 1.63 1.64 0.00 3.27 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.09 0.00 171 D 9.05 4.65 0.00 2.92 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 0.00 172 L 7.94 4.44 0.00 1.81 1.49 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.