NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.5140 8.1693 121.0271 54.9702 42.5821 176.8940 4 P 4.4389 0.0000 0.0000 59.9790 32.0941 173.8242 5 P 4.6052 0.0000 0.0000 64.7423 33.8905 176.5639 6 D 5.6016 8.1976 120.9606 52.4016 43.7740 175.2480 7 I 5.0317 8.9027 116.3488 59.9076 42.0934 173.3832 8 T 4.6914 8.2269 116.0034 61.2216 71.2280 171.7847 9 F 5.3686 8.4431 121.3249 54.2352 43.1483 174.9472 10 D 4.7608 8.5257 121.7557 52.6949 41.3601 177.2426 11 S 4.1886 8.2631 110.1410 61.7264 62.7489 176.5093 12 L 4.0421 7.9592 121.9764 57.3516 41.1824 179.1637 13 A 4.0766 8.4856 120.4344 54.8190 18.3785 179.2001 14 L 3.7759 7.9414 118.2692 58.1596 42.2575 178.5870 15 I 4.1052 7.6873 118.7114 64.5643 37.5092 180.5646 16 K 4.2122 7.7074 118.8764 56.5988 31.7571 178.3033 *18 H 4.6587 8.1580 115.5315 55.0418 30.6101 173.9402 19 S 4.3959 7.7745 114.4446 57.7995 63.6110 174.4582 20 Q 4.0919 8.7488 122.2587 59.5173 28.7423 178.5189 21 S 4.0050 8.0992 109.9988 59.0708 63.3561 175.0277 *23 K 4.3011 8.2190 123.2734 57.1443 33.7606 177.7090 24 K 3.9544 7.9624 118.7681 59.3668 32.1660 178.4637 25 I 3.6789 7.7683 119.6703 64.4143 37.0391 177.5420 26 L 3.9268 8.0030 120.3762 58.4984 41.6982 178.4670 27 E 3.9513 8.1321 118.8431 59.4809 29.5393 178.9167 28 I 3.7717 8.1389 120.1663 64.5814 37.1140 178.4482 29 T 4.4394 8.5643 117.1542 66.9178 68.1209 176.5685 30 L 4.1487 7.8418 119.1293 57.1173 41.7313 178.6890 31 A 4.2667 7.4936 119.5834 54.1224 18.9241 179.0122 32 K 4.0196 8.0728 115.5224 56.9274 32.6215 176.5898 33 F 5.1047 7.8063 115.9782 56.0203 43.6243 174.1843 34 T 4.6237 9.1275 117.6076 62.2495 70.6098 174.0525 35 V 4.7992 8.6209 126.1352 61.4361 33.8905 173.9806 36 N 5.2759 9.0398 127.1449 51.9099 39.5756 174.1781 37 L 4.5923 8.7685 125.2502 52.5654 44.2126 176.6905 38 S 4.5553 8.5294 118.4020 57.8154 63.3045 174.5552 39 I 3.7497 8.7447 127.6470 64.2937 37.4903 178.4577 40 V 3.8365 7.9533 119.1945 66.2590 31.3066 178.0906 41 T 3.8410 7.8724 115.0506 66.5743 68.2779 176.4784 42 V 3.5737 7.7986 120.1452 66.3563 31.5357 177.4971 43 Y 4.2162 8.1716 119.1397 60.7886 38.3588 178.1061 44 R 3.2836 7.6146 119.0650 58.7902 30.2269 178.2286 45 Y 4.0019 8.2450 119.7663 60.8766 38.7942 178.4358 46 L 4.0769 8.4528 119.8461 57.6778 41.5406 179.7066 47 T 3.8803 7.7763 116.1948 66.5476 68.4575 176.7227 48 V 3.5226 7.2888 119.8482 66.1032 31.5473 178.3089 49 R 3.8245 7.6347 117.1598 59.1412 29.7898 178.9796 50 A 4.0123 8.4214 121.0908 55.2282 18.1707 178.9182 51 Y 3.9262 8.2170 117.5559 60.4534 38.7625 177.4309 52 L 4.4082 7.4535 117.2429 53.6193 41.9022 176.5354 53 K 3.8438 7.8271 116.7287 57.3809 29.9841 176.1184 54 K 4.1940 7.7952 117.9175 55.8914 33.0964 177.4259 55 N 4.6749 8.3415 118.5038 52.7514 38.6973 174.7768 56 I 4.0088 8.0570 122.7945 63.1905 38.2221 177.7743 57 E 3.9694 8.1100 120.3584 59.0936 29.2488 178.7642 58 L 3.9192 7.9320 120.4169 58.2978 42.2879 178.6188 59 E 4.0215 8.1802 118.5730 59.5191 29.3432 179.1920 60 L 4.0330 8.2221 120.2066 58.4352 41.9196 178.7646 61 D 4.3630 8.1921 118.7420 57.2858 40.6239 179.1309 62 V 3.6860 7.6396 118.9846 65.8970 31.5611 178.0350 63 L 4.0839 8.0495 118.7493 57.9034 41.2321 179.6983 64 K 4.0949 8.3654 120.1987 59.9584 32.0139 179.1801 65 D 4.5988 7.5549 120.6608 56.9930 40.0677 180.8255 66 I 4.2483 7.3527 110.5914 61.1047 38.5543 175.1526 67 Y 5.0384 7.2636 117.0692 55.9548 41.6320 175.5384 68 N 4.6715 9.0372 121.2869 53.0997 39.5929 173.7499 69 I 4.6472 8.3096 127.8269 60.4012 38.5122 175.6300 70 V 4.3782 9.1366 129.3362 60.2989 32.7198 173.5258 71 P 4.5841 0.0000 0.0000 62.8361 32.1803 176.6735 72 L 4.1193 8.4766 123.6614 54.3301 40.8524 176.0193 73 N 4.8882 7.9179 123.8518 50.3367 41.2307 174.9019 74 E 3.8758 8.5644 119.0679 59.9944 29.2682 179.6740 75 E 3.9173 8.0147 117.5655 59.4040 29.5170 179.4273 76 I 3.4483 8.0025 119.9270 64.1129 37.1444 178.1804 77 A 3.9526 8.0753 121.8631 55.3286 18.1596 179.7856 78 I 3.6275 7.6797 118.1896 64.3108 37.1096 178.6576 79 K 3.8897 7.8267 120.3413 59.3504 31.9885 178.6088 80 A 3.8701 8.3340 121.3163 55.2349 18.2622 179.5340 81 A 3.9347 8.2132 121.6147 55.8833 18.4349 180.5637 82 Q 3.9392 8.0564 119.2521 60.2614 28.1715 180.9227 83 I 2.8648 7.6182 121.9899 63.9034 36.8869 178.2456 84 E 3.8351 7.9626 118.6054 59.0682 29.5250 178.2900 85 A 4.1078 7.7186 119.8330 55.1846 18.5389 178.7128 86 D 4.5497 7.7718 115.2526 57.4165 41.6916 179.3241 87 L 4.0939 7.8681 116.5603 55.6945 41.4231 179.1799 *89 R 4.2858 7.9556 119.9131 56.1046 31.8977 176.5102 90 K 4.3319 7.9140 114.8960 56.1010 32.1417 176.5932 91 G 3.5879 7.8054 105.4180 45.9191 0.0000 172.1968 *94 P 4.1697 0.0000 0.0000 61.6616 33.0575 177.4571 95 D 4.5003 8.2028 120.7580 54.0248 42.6821 177.5284 96 I 3.6516 8.3656 123.1202 64.3454 37.9331 177.9337 97 E 3.9658 8.1121 119.5263 59.2833 29.5069 178.1957 98 D 4.5446 8.0834 118.4692 57.5643 40.8846 178.9125 99 V 3.5971 7.7872 118.5333 66.0784 31.5351 178.1166 100 L 4.0330 8.1696 118.8145 57.7933 41.4607 179.5415 101 T 3.8052 8.2791 115.7935 66.6587 68.4773 176.4579 102 A 3.9522 8.4474 122.7063 55.1911 18.3839 179.5438 103 A 3.9588 8.3957 119.6484 55.6304 18.3577 180.0399 104 T 3.8650 8.0078 114.1136 66.7263 68.4159 176.8727 105 A 4.0767 7.9391 124.0598 54.3985 18.3145 179.8797 106 I 3.6519 7.8438 118.4885 64.7324 37.0368 177.9020 107 Y 4.1784 8.0167 119.2978 60.9083 38.8812 177.7994 108 T 3.9013 8.5366 109.5227 61.4252 69.5683 174.4280 109 K 3.6760 7.5499 119.8344 57.9124 29.9317 175.2945 110 S 4.9582 7.9609 113.6823 56.3739 65.4706 175.2973 111 L 4.0477 8.2747 126.7513 55.0394 43.2956 175.2839 112 L 4.4928 8.5045 129.2496 54.0711 43.3834 174.9908 113 I 4.4395 8.0844 128.1699 59.9778 39.0226 174.8397 114 T 4.7691 8.0154 119.7838 61.0949 70.5665 173.7911 115 D 4.6729 8.9574 125.2003 55.6436 41.8671 176.3170 116 D 4.9332 8.3657 118.9316 51.9448 40.7878 176.0329 117 S 4.3518 8.0184 118.8434 61.2272 63.3535 176.3952 118 K 4.0070 7.6204 118.8836 59.2499 31.5494 178.8985 119 R 3.7343 7.4020 116.7553 59.7045 29.9581 177.2141 120 Y 4.4792 7.3252 112.2776 58.4364 38.3363 176.7800 121 E 4.1751 7.9976 121.0819 58.4550 29.9297 176.2933 122 P 4.3084 0.0000 0.0000 62.5633 31.8639 177.4860 *124 R 4.7943 8.4531 118.0399 56.3647 31.9218 178.3752 125 R 4.0349 7.8832 112.4433 58.5223 29.2691 177.0888 126 F 4.4903 7.7341 115.2495 57.2691 39.3040 176.0179 127 G 4.0997 8.4574 108.9411 44.7067 0.0000 173.8236 128 L 4.1340 8.1191 123.3373 55.1361 43.4024 175.0528 129 D 4.9934 8.7212 126.2010 53.2543 43.0880 175.6035 130 T 5.6598 7.8633 113.2996 58.6120 72.0919 171.1492 *132 P 4.4566 0.0000 0.0000 62.5927 32.8225 177.2772 133 L 4.0965 8.5137 123.4643 58.2569 41.9685 178.8774 134 D 4.3937 8.2290 117.5275 57.6058 41.2512 178.3929 135 K 3.9850 8.0937 118.1965 59.3991 32.0905 178.9659 136 F 4.1538 8.4351 120.8863 61.2614 39.2524 177.2415 137 V 3.4743 8.3111 118.2720 66.1384 31.3364 178.2262 138 K 4.1223 8.0697 118.0927 59.2515 31.5848 179.0709 139 E 3.9026 7.7938 118.9287 58.9653 29.6121 178.6947 140 V 3.6286 7.1866 117.3837 66.1368 31.8330 177.5306 141 E 4.1248 8.3549 118.5846 59.0839 29.1170 179.6693 142 L 4.3722 7.8609 118.8821 55.3534 42.0892 178.8473 *144 V 3.9774 7.7847 118.4434 62.4907 33.3024 177.1333 145 E 3.9861 8.4858 118.2643 59.4677 29.4606 178.5896 146 K 4.0798 8.1672 117.1291 59.4354 32.3180 178.2181 147 E 4.0381 8.2094 118.3547 58.5349 29.9329 176.2416 148 L 4.2649 7.8684 122.2873 54.8168 41.7796 176.1937 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 3 L 8.17 4.51 0.00 1.86 1.99 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.44 0.00 2.32 2.14 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 5 P 0.00 4.61 0.00 2.18 2.37 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 6 D 8.20 5.60 0.00 2.69 2.57 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 7 I 8.90 5.03 1.28 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.54 0.00 0.00 8 T 8.23 4.69 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 1.06 0.00 0.00 9 F 8.44 5.37 0.00 2.74 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 10 D 8.53 4.76 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.26 4.19 0.00 4.14 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 0.00 12 L 7.96 4.04 0.00 1.76 1.79 0.93 0.88 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 13 A 8.49 4.08 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 14 L 7.94 3.78 0.00 1.71 1.89 0.53 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.69 4.11 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.91 0.00 0.00 16 K 7.71 4.21 0.00 1.94 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.63 7.81 *18 H 8.16 4.66 0.00 3.36 3.54 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.77 4.40 0.00 4.01 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 20 Q 8.75 4.09 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.62 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 21 S 8.10 4.01 0.00 4.02 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 *23 K 8.22 4.30 0.00 2.06 1.88 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 24 K 7.96 3.95 0.00 1.91 1.78 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.59 7.81 25 I 7.77 3.68 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.95 0.00 0.00 26 L 8.00 3.93 0.00 1.69 1.83 0.82 0.65 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 27 E 8.13 3.95 0.00 2.09 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 0.00 2.32 2.36 0.00 28 I 8.14 3.77 2.02 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 1.53 0.77 0.95 0.00 0.00 29 T 8.56 4.44 4.63 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 1.66 0.00 0.00 30 L 7.84 4.15 0.00 1.61 1.71 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.49 4.27 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 K 8.07 4.02 0.00 2.13 0.96 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.34 7.81 33 F 7.81 5.10 0.00 3.10 2.94 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 34 T 9.13 4.62 4.56 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 1.30 0.00 0.00 35 V 8.62 4.80 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 1.09 0.00 0.00 1.24 0.00 0.00 36 N 9.04 5.28 0.00 2.59 2.77 0.00 0.00 6.99 8.69 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 37 L 8.77 4.59 0.00 1.43 1.43 0.18 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.53 4.56 0.00 3.85 3.73 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 39 I 8.74 3.75 1.98 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 1.43 1.11 0.96 0.00 0.00 40 V 7.95 3.84 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 1.10 0.00 0.00 0.98 0.00 0.00 41 T 7.87 3.84 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 42 V 7.80 3.57 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 1.16 0.00 0.00 0.88 0.00 0.00 43 Y 8.17 4.22 0.00 3.14 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 44 R 7.61 3.28 0.00 1.84 1.72 0.00 2.67 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.75 0.00 45 Y 8.24 4.00 0.00 3.06 3.16 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 46 L 8.45 4.08 0.00 1.96 1.79 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.78 3.88 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 48 V 7.29 3.52 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.86 0.00 0.00 49 R 7.63 3.82 0.00 1.92 1.87 0.00 3.11 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.40 0.00 50 A 8.42 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.22 3.93 0.00 3.03 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 52 L 7.45 4.41 0.00 1.79 1.66 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.83 3.84 0.00 2.10 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.26 7.81 54 K 7.80 4.19 0.00 1.82 1.87 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.48 7.81 55 N 8.34 4.67 0.00 2.75 2.74 0.00 0.00 6.63 7.97 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 56 I 8.06 4.01 1.93 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 1.67 0.48 0.96 0.00 0.00 57 E 8.11 3.97 0.00 2.10 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 2.42 2.45 0.00 58 L 7.93 3.92 0.00 1.83 1.85 0.93 1.01 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 E 8.18 4.02 0.00 2.15 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 0.00 2.39 2.63 0.00 60 L 8.22 4.03 0.00 1.87 1.96 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.19 4.36 0.00 2.93 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 62 V 7.64 3.69 2.24 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 1.02 0.00 0.00 1.00 0.00 0.00 63 L 8.05 4.08 0.00 1.98 1.89 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.37 4.09 0.00 1.92 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.69 7.81 65 D 7.55 4.60 0.00 2.78 2.57 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 66 I 7.35 4.25 1.47 0.00 0.00 0.51 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 0.02 0.78 0.00 0.00 67 Y 7.26 5.04 0.00 3.06 2.77 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 68 N 9.04 4.67 0.00 2.94 3.04 0.00 0.00 7.39 7.37 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 69 I 8.31 4.65 1.92 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 1.26 0.78 0.94 0.00 0.00 70 V 9.14 4.38 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 1.19 0.00 0.00 1.05 0.00 0.00 71 P 0.00 4.58 0.00 2.11 2.05 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 72 L 8.48 4.12 0.00 1.59 1.63 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.92 4.89 0.00 2.87 2.87 0.00 0.00 6.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.56 3.88 0.00 1.99 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 2.38 2.40 0.00 75 E 8.01 3.92 0.00 1.77 1.92 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 2.51 2.49 0.00 76 I 8.00 3.45 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.34 0.80 0.00 0.00 77 A 8.08 3.95 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 78 I 7.68 3.63 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.90 0.00 0.00 79 K 7.83 3.89 0.00 1.76 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.45 7.81 80 A 8.33 3.87 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 81 A 8.21 3.93 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 82 Q 8.06 3.94 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 83 I 7.62 2.86 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.32 0.43 0.00 0.00 84 E 7.96 3.84 0.00 1.94 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 2.29 2.29 0.00 85 A 7.72 4.11 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 86 D 7.77 4.55 0.00 2.93 3.03 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 87 L 7.87 4.09 0.00 1.90 1.70 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *89 R 7.96 4.29 0.00 2.04 2.06 0.00 3.37 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 90 K 7.91 4.33 0.00 2.19 1.84 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.25 7.81 91 G 7.81 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 *94 P 0.00 4.17 0.00 2.06 2.01 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 95 D 8.20 4.50 0.00 2.78 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 96 I 8.37 3.65 1.87 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 1.55 1.35 0.93 0.00 0.00 97 E 8.11 3.97 0.00 2.10 1.95 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 2.42 2.44 0.00 98 D 8.08 4.54 0.00 2.85 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 99 V 7.79 3.60 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 1.10 0.00 0.00 1.01 0.00 0.00 100 L 8.17 4.03 0.00 1.82 1.71 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.28 3.81 4.54 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 1.15 0.00 0.00 102 A 8.45 3.95 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 0.00 0.00 0.00 0.00 0.00 103 A 8.40 3.96 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 0.00 104 T 8.01 3.87 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 1.26 0.00 0.00 105 A 7.94 4.08 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 0.00 106 I 7.84 3.65 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.26 1.01 0.00 0.00 107 Y 8.02 4.18 0.00 2.91 3.21 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 0.00 108 T 8.54 3.90 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 1.37 0.00 0.00 109 K 7.55 3.68 0.00 1.88 1.90 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.30 7.81 110 S 7.96 4.96 0.00 3.63 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.27 4.05 0.00 1.70 1.35 0.82 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.50 4.49 0.00 1.55 1.39 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.08 4.44 0.74 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 0.50 0.44 0.71 0.00 0.00 114 T 8.02 4.77 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 1.17 0.00 0.00 115 D 8.96 4.67 0.00 2.76 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 0.00 116 D 8.37 4.93 0.00 2.72 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 0.00 117 S 8.02 4.35 0.00 3.95 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 0.00 118 K 7.62 4.01 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 119 R 7.40 3.73 0.00 1.75 1.99 0.00 2.73 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 120 Y 7.33 4.48 0.00 3.02 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 0.00 121 E 8.00 4.18 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 122 P 0.00 4.31 0.00 2.14 2.15 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 *124 R 8.45 4.79 0.00 2.11 2.01 0.00 3.53 0.00 0.00 3.35 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 125 R 7.88 4.03 0.00 1.59 1.85 0.00 2.50 0.00 0.00 2.95 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 126 F 7.73 4.49 0.00 3.09 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 0.00 127 G 8.46 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 0.00 0.00 0.00 128 L 8.12 4.13 0.00 1.86 1.62 0.91 1.23 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 0.00 129 D 8.72 4.99 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.86 5.66 4.14 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 1.10 0.00 0.00 *132 P 0.00 4.46 0.00 2.27 2.08 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 133 L 8.51 4.10 0.00 1.87 1.92 1.23 1.00 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 0.00 134 D 8.23 4.39 0.00 2.92 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 0.00 135 K 8.09 3.99 0.00 2.00 1.89 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.47 7.81 136 F 8.44 4.15 0.00 3.07 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.31 3.47 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 1.08 0.00 0.00 1.13 0.00 0.00 138 K 8.07 4.12 0.00 1.99 1.83 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.57 7.81 139 E 7.79 3.90 0.00 2.12 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 2.34 2.36 0.00 140 V 7.19 3.63 1.95 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 0.85 0.00 0.00 0.29 0.00 0.00 141 E 8.35 4.12 0.00 2.16 1.97 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 2.31 2.46 0.00 142 L 7.86 4.37 0.00 1.84 1.77 0.91 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 *144 V 7.78 3.98 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 0.94 0.00 0.00 0.97 0.00 0.00 145 E 8.49 3.99 0.00 2.12 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 2.34 2.42 0.00 146 K 8.17 4.08 0.00 1.72 1.87 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 147 E 8.21 4.04 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 148 L 7.87 4.26 0.00 1.68 1.55 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.