NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1200 8.3444 119.6782 55.8323 30.2099 173.4373 3 N 4.1939 7.6930 117.1634 49.8565 42.5887 173.3973 4 A 3.9542 8.9969 123.2722 55.5977 18.8455 179.1955 5 D 4.1508 7.8169 116.8172 57.3586 40.8948 178.4881 6 D 4.0575 8.0113 119.6011 57.1482 40.7117 178.7857 7 F 4.2026 7.6790 117.9125 60.6409 39.0474 177.5205 8 I 3.5205 7.7555 112.6805 64.1311 37.0055 177.7473 9 K 3.7966 7.6704 121.0754 59.0565 31.8409 178.7548 10 F 4.2263 8.1062 118.4229 60.3986 39.0397 176.5564 11 L 4.1517 8.1945 117.6112 53.9483 42.1874 176.0891 12 E 3.6633 7.6183 117.6902 57.2561 27.1717 175.1604 13 L 4.5302 8.3523 117.9877 54.3771 42.9193 178.2023 14 E 4.8545 8.7498 123.8675 54.1460 32.3090 175.5770 15 Q 4.3348 8.9581 121.3596 57.0378 29.6898 176.0995 16 H 5.2008 8.7361 121.9767 54.0248 31.8101 176.0336 17 V 3.6631 8.4171 125.4086 64.4731 31.3506 176.6754 18 E 4.2957 7.7609 116.4713 55.6652 30.1327 174.6927 19 G 3.9745 9.0794 105.7815 44.7503 0.0000 174.3383 20 G 3.4752 8.2675 107.2739 44.6987 0.0000 172.3021 21 F 5.3457 7.4096 115.8620 56.0882 42.9643 174.1437 22 Y 5.2562 8.3757 118.4451 56.9833 42.2958 173.3180 23 R 4.1357 8.3468 114.4736 55.3649 33.3728 173.7495 24 S 4.6062 9.1170 123.1670 59.5247 62.8983 173.8000 25 S 4.5249 9.5819 120.5426 60.1607 63.6736 173.5002 26 Y 4.8617 7.8681 115.3584 56.6690 42.6423 173.5847 27 R 4.7278 8.4469 119.3065 54.2493 34.5640 174.7583 28 S 3.6095 7.4916 115.3273 56.8165 63.1519 174.7673 29 E 4.1822 8.7533 125.7898 57.8878 29.8309 176.6990 30 T 4.4321 7.2826 115.6393 61.8785 70.0883 173.8633 31 A 5.2680 8.2476 127.1959 50.6054 19.9464 176.0983 32 F 4.7346 7.8722 121.5395 58.8709 40.8757 175.9514 33 D 4.7495 7.3703 117.8159 51.3186 43.7999 175.6363 34 P 4.3828 0.0000 0.0000 64.9958 30.9036 177.8185 35 S 4.2883 6.9793 112.3160 59.5701 64.0414 176.6546 36 R 4.4542 7.5159 119.6589 54.3183 32.6195 174.9252 37 Q 4.8361 8.1225 116.3150 54.1884 31.8625 176.8730 38 L 4.1893 8.5821 123.0358 58.1925 42.7822 176.3957 39 W 5.7128 7.7258 113.3730 57.3939 31.2490 173.0462 40 S 5.4074 8.7222 111.5984 57.7316 65.4973 174.4342 41 S 5.2484 9.6976 117.1437 56.7633 66.1852 172.5684 42 I 5.2929 8.2869 117.4444 58.6478 41.3484 174.0597 43 Y 4.9703 9.2641 121.6162 57.6604 40.4628 174.6666 44 F 4.8754 8.5921 118.6190 58.0501 42.9710 172.4241 45 L 5.8710 8.5414 129.2805 52.7447 45.1893 174.7605 46 L 5.1144 8.4051 124.2397 53.5673 45.3819 175.2648 47 R 5.3470 8.5491 123.7657 53.5565 33.3162 177.1302 48 T 3.4028 8.8581 117.7815 66.2573 68.6005 175.0551 49 G 4.0074 8.0799 107.5599 45.2271 0.0000 173.1506 50 E 4.7528 8.9197 120.4366 54.7906 31.7091 175.5881 51 V 4.5416 7.7301 113.4388 59.9031 36.4095 175.1240 52 S 4.5978 9.1762 119.2572 57.3818 62.7720 173.0110 53 H 4.6038 8.6207 124.9844 55.6937 28.9460 175.5230 54 F 4.3046 8.6572 120.6990 57.2288 39.7480 174.5098 55 H 5.0738 8.8935 117.4978 54.8066 31.8981 172.3031 56 R 5.2257 9.1618 119.7207 54.7183 33.3310 174.3619 57 L 6.0549 8.7073 124.1129 53.1259 45.0631 176.9439 58 T 4.5031 8.7690 115.5574 64.4520 69.9962 174.3121 59 A 5.1905 7.8796 121.0888 49.5549 22.8202 175.2847 60 D 4.5549 8.5131 118.4635 54.9085 42.8090 175.3891 61 E 4.7302 8.1454 118.3580 55.1472 33.6655 172.9211 *63 W 4.9563 8.4891 117.1724 57.1921 30.7768 174.4885 64 Y 5.0574 9.2516 122.4473 56.1476 41.0003 174.4268 65 F 4.9674 8.3914 122.4420 57.4212 40.8506 174.3690 66 H 4.6627 7.8976 122.1934 56.7355 29.4444 175.3650 67 A 4.1174 6.9040 117.9520 51.9237 22.4602 176.0547 68 G 3.1933 8.5044 105.1162 44.2953 0.0000 175.9454 69 Q 4.6344 8.8594 125.3401 53.2040 30.3107 175.2011 70 S 4.0497 8.6860 117.2551 59.5994 61.8551 174.3251 71 L 5.0942 8.0829 122.5479 54.5402 45.3892 174.8801 72 T 4.4932 7.9660 116.1149 63.6051 73.5150 173.1272 73 I 4.2380 7.6894 128.5288 60.3713 38.4256 175.2477 74 Y 4.6564 8.8998 125.5276 56.5849 40.4150 175.2373 *76 I 4.1881 8.0429 120.4175 60.8460 38.5286 176.0445 77 S 4.1650 8.6782 123.0152 57.3208 63.3056 173.8984 78 P 4.2934 0.0000 0.0000 65.3307 31.0355 176.6954 79 E 4.3871 7.9124 118.1054 55.6811 29.7723 176.2366 80 G 3.6885 8.1602 107.7463 46.0211 0.0000 173.4873 81 E 4.4845 7.2088 118.9303 54.6847 33.5136 174.1421 82 L 4.6113 8.5617 130.1257 54.2865 42.7506 175.5955 83 T 4.8544 8.4488 116.2514 60.0718 71.6544 173.1376 84 T 5.1210 8.4002 111.0631 59.0689 72.2971 172.5934 85 A 4.3674 7.6470 122.0127 50.5701 23.1157 175.4105 86 Q 4.3566 8.3230 119.3498 54.0240 30.2830 174.6449 87 L 4.7670 7.3946 126.2625 53.4068 43.7559 177.2256 88 G 3.1843 7.3652 111.1069 44.2407 0.0000 172.6446 89 L 4.3137 7.3048 118.8273 54.2667 41.8437 176.2461 90 D 4.6298 7.7075 119.2995 52.5982 40.4828 176.3082 91 L 4.0500 8.3383 127.2639 56.9774 41.9595 178.5643 92 A 3.9055 8.1191 120.8772 55.2823 18.5200 178.2901 93 A 4.3438 7.6090 116.5534 51.2305 19.6867 177.9050 94 G 4.0371 8.2022 106.1621 46.0847 0.0000 173.7337 95 E 4.4960 8.0335 119.9797 55.5560 30.5209 176.7942 96 R 4.5404 8.8212 123.9522 53.8753 33.2252 174.1489 97 P 4.4212 0.0000 0.0000 65.0079 32.4246 175.9460 98 Q 5.5755 7.8885 116.1352 53.2800 32.0636 174.8011 99 F 4.4785 8.4096 122.1911 56.7694 42.7986 173.1243 100 L 4.5845 6.3966 126.4367 53.1418 43.3517 176.3600 101 V 4.0931 8.2242 128.3407 59.4086 32.0889 173.6726 102 P 4.5181 0.0000 0.0000 62.9130 31.3164 176.3385 103 K 4.0862 9.4652 122.7897 57.8490 33.8043 178.0885 104 G 4.0804 8.8400 107.9522 45.7641 0.0000 173.2204 105 C 4.8608 7.4133 112.9506 56.3178 32.0861 173.5873 106 I 4.5845 7.7760 121.7109 60.6551 37.5962 175.1891 107 F 5.5025 9.0875 121.5335 56.0061 42.1913 173.2249 108 G 3.9795 9.0407 105.5587 46.0858 0.0000 171.6078 109 S 5.8343 8.9109 112.2125 56.9561 66.0841 172.8763 110 A 5.2304 8.6530 127.7552 52.0649 21.3704 178.8029 *112 N 4.7401 9.0513 113.0425 54.9488 40.6549 173.8602 113 Q 4.6559 7.8809 114.7811 53.6563 33.0562 174.2475 114 D 4.6268 8.5332 119.5720 53.7831 42.3628 177.4504 115 G 4.0000 7.0382 110.3442 45.5039 0.0000 171.2198 116 F 5.8835 8.1469 117.8674 54.4784 42.4422 175.1195 117 S 4.5989 8.5218 114.5939 57.5926 66.4063 173.1094 118 L 4.6794 8.3506 128.3154 53.9860 43.2932 175.5950 119 V 4.6638 8.7555 124.6660 61.3274 35.7905 173.5457 120 G 4.3038 8.8461 113.5330 44.9919 0.0000 172.4610 121 C 4.8743 8.3586 121.1123 57.3959 33.4033 173.1110 *123 V 4.3787 7.9953 117.7762 62.4383 32.1097 175.0556 124 S 4.2527 9.0990 120.8937 60.6939 62.3240 171.2966 125 P 4.5335 0.0000 0.0000 63.6673 32.0020 177.1991 126 G 3.6225 9.0525 110.9508 44.6882 0.0000 174.0301 127 F 4.5763 8.8694 127.9723 58.6644 38.1126 174.4729 128 T 4.1970 8.0416 117.8244 59.8150 70.0479 176.2316 129 F 3.8236 8.2606 119.5873 58.6675 39.0577 177.1577 130 D 4.5086 7.8743 120.9569 56.7305 41.1926 176.7207 131 D 5.1415 8.1149 117.3824 53.5620 40.8666 175.2122 132 F 5.4595 7.1387 121.2028 56.6288 42.5651 174.7344 133 E 4.5365 6.1724 116.3476 55.4046 32.9773 174.7511 134 L 4.7255 8.4881 129.5368 54.3735 43.5154 175.5840 135 F 5.0200 8.4824 122.0544 55.4989 42.1178 175.5177 136 S 4.6016 8.6717 116.6006 57.6940 64.0726 174.9616 137 Q 4.5427 8.5585 124.8955 59.5992 28.9647 177.8192 138 E 3.8081 8.5599 118.0465 59.7539 28.9814 178.5552 139 A 4.0135 8.4469 120.3454 55.8552 18.5449 179.8566 140 L 3.9772 7.7303 115.8223 57.4174 41.7271 178.9941 141 L 4.3154 7.8180 117.5577 56.3289 41.9744 178.1776 142 A 4.0875 7.2131 118.2561 53.3650 19.5151 177.3546 *144 Y 5.3589 7.2915 114.0061 58.0529 38.5337 172.9724 145 P 4.4688 0.0000 0.0000 64.6695 32.6723 178.3190 146 Q 4.2341 8.0677 114.2494 57.7121 28.8384 176.5152 147 H 4.8664 7.8342 115.3155 55.4528 30.1265 175.1085 148 K 3.8230 8.0712 123.4857 59.8858 31.5470 177.9367 149 A 4.0223 8.0673 119.1688 55.4642 18.5432 179.3712 150 V 3.8546 7.7716 115.8814 63.8219 31.9578 178.4270 151 V 4.0439 7.7780 119.1808 65.8013 31.0924 177.0316 152 Q 4.4417 8.0059 115.0439 56.2772 28.4936 176.2386 153 K 4.4294 7.8388 119.6213 57.3553 34.6209 177.2011 154 L 4.5953 6.9588 115.3708 53.9113 42.4696 176.2503 155 S 4.9893 7.9046 111.1459 58.0593 66.2429 173.0842 156 R 5.0699 8.2646 120.5517 53.7615 34.4717 173.5886 157 P 4.7967 0.0000 0.0000 62.9136 32.3127 175.9698 158 E 4.1051 10.0285 119.8173 56.8029 31.0509 173.7228 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 Q 8.34 4.12 0.00 1.94 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 3 N 7.69 4.19 0.00 2.58 2.43 0.00 0.00 7.25 6.86 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 4 A 9.00 3.95 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 5 D 7.82 4.15 0.00 2.55 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 6 D 8.01 4.06 0.00 2.45 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.68 4.20 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.76 3.52 1.44 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 0.38 0.00 0.00 9 K 7.67 3.80 0.00 1.60 1.47 0.00 1.24 0.00 0.00 0.76 0.00 0.00 2.55 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.98 1.18 7.81 10 F 8.11 4.23 0.00 3.05 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 11 L 8.19 4.15 0.00 1.55 1.26 0.32 0.71 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 12 E 7.62 3.66 0.00 2.05 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 2.19 2.22 0.00 13 L 8.35 4.53 0.00 1.35 1.66 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.75 4.85 0.00 1.76 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 15 Q 8.96 4.33 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.61 0.00 16 H 8.74 5.20 0.00 3.31 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.42 3.66 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 0.60 0.00 0.00 0.96 0.00 0.00 18 E 7.76 4.30 0.00 2.29 2.43 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 2.50 2.46 0.00 19 G 9.08 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 0.00 0.00 0.00 20 G 8.27 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.41 5.35 0.00 2.89 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 22 Y 8.38 5.26 0.00 3.41 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 23 R 8.35 4.14 0.00 1.77 1.90 0.00 3.36 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 24 S 9.12 4.61 0.00 3.88 3.89 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 25 S 9.58 4.52 0.00 3.91 3.70 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 26 Y 7.87 4.86 0.00 3.30 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 27 R 8.45 4.73 0.00 1.49 1.64 0.00 3.42 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 28 S 7.49 3.61 0.00 2.72 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 29 E 8.75 4.18 0.00 1.96 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 2.27 2.27 0.00 30 T 7.28 4.43 4.26 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 1.26 0.00 0.00 31 A 8.25 5.27 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 32 F 7.87 4.73 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.37 4.75 0.00 2.61 2.35 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 34 P 0.00 4.38 0.00 2.01 2.09 0.00 3.58 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 1.98 2.02 0.00 35 S 6.98 4.29 0.00 4.07 3.89 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 36 R 7.52 4.45 0.00 2.11 2.17 0.00 3.32 0.00 0.00 3.48 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 37 Q 8.12 4.84 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 38 L 8.58 4.19 0.00 1.92 1.69 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.73 5.71 0.00 3.40 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 40 S 8.72 5.41 0.00 4.10 3.93 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 41 S 9.70 5.25 0.00 3.91 3.93 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 42 I 8.29 5.29 2.26 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.19 1.03 0.00 0.00 43 Y 9.26 4.97 0.00 2.94 2.91 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 44 F 8.59 4.88 0.00 2.97 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 45 L 8.54 5.87 0.00 1.76 1.60 1.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.41 5.11 0.00 1.93 1.57 1.14 1.02 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 47 R 8.55 5.35 0.00 1.94 1.91 0.00 3.58 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 48 T 8.86 3.40 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 1.36 0.00 0.00 49 G 8.08 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 50 E 8.92 4.75 0.00 1.93 1.80 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 2.23 2.21 0.00 51 V 7.73 4.54 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 0.62 0.00 0.00 0.77 0.00 0.00 52 S 9.18 4.60 0.00 4.19 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 53 H 8.62 4.60 0.00 3.15 3.39 0.00 5.94 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.66 4.30 0.00 3.11 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.89 5.07 0.00 2.86 3.29 0.00 5.40 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.16 5.23 0.00 1.94 2.04 0.00 3.22 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 57 L 8.71 6.05 0.00 1.92 1.86 1.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.77 4.50 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 1.33 0.00 0.00 59 A 7.88 5.19 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 60 D 8.51 4.55 0.00 2.62 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 61 E 8.15 4.73 0.00 2.13 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 2.22 2.29 0.00 *63 W 8.49 4.96 0.00 3.44 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 64 Y 9.25 5.06 0.00 2.78 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 65 F 8.39 4.97 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.90 4.66 0.00 2.92 3.21 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 6.90 4.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.50 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 0.00 0.00 0.00 69 Q 8.86 4.63 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 70 S 8.69 4.05 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.08 5.09 0.00 1.65 1.88 1.33 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.97 4.49 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 73 I 7.69 4.24 1.15 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.45 0.52 0.00 0.00 74 Y 8.90 4.66 0.00 2.88 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 *76 I 8.04 4.19 1.36 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.90 -0.17 0.00 0.00 77 S 8.68 4.17 0.00 3.93 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 78 P 0.00 4.29 0.00 2.23 2.25 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 79 E 7.91 4.39 0.00 1.90 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 2.29 2.30 0.00 80 G 8.16 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 0.00 0.00 0.00 81 E 7.21 4.48 0.00 1.96 1.69 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 2.23 2.27 0.00 82 L 8.56 4.61 0.00 1.19 1.43 0.92 0.99 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 83 T 8.45 4.85 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 1.18 0.00 0.00 84 T 8.40 5.12 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 0.98 0.00 0.00 85 A 7.65 4.37 0.22 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 0.00 0.00 86 Q 8.32 4.36 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 87 L 7.39 4.77 0.00 1.71 1.55 1.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.37 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 0.00 0.00 0.00 89 L 7.30 4.31 0.00 1.57 1.66 1.21 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.71 4.63 0.00 2.58 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 91 L 8.34 4.05 0.00 1.66 1.69 0.91 0.86 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 92 A 8.12 3.91 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 93 A 7.61 4.34 1.23 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 0.00 0.00 94 G 8.20 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.03 4.50 0.00 2.00 1.73 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 2.41 2.13 0.00 96 R 8.82 4.54 0.00 1.85 1.72 0.00 3.14 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 97 P 0.00 4.42 0.00 2.17 2.21 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 98 Q 7.89 5.58 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 1.68 2.13 0.00 99 F 8.41 4.48 0.00 2.91 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 0.00 100 L 6.40 4.58 0.00 1.32 1.00 0.72 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.22 4.09 1.61 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 0.72 0.00 0.00 -0.64 0.00 0.00 102 P 0.00 4.52 0.00 2.01 2.01 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 103 K 9.47 4.09 0.00 1.86 2.17 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.42 7.81 104 G 8.84 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 7.41 4.86 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.78 4.58 1.59 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.38 0.55 0.00 0.00 107 F 9.09 5.50 0.00 3.16 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 0.00 108 G 9.04 3.98 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 0.00 0.00 0.00 109 S 8.91 5.83 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.65 5.23 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 N 9.05 4.74 0.00 2.79 2.94 0.00 0.00 6.51 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.88 4.66 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 114 D 8.53 4.63 0.00 2.71 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 0.00 115 G 7.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 5.88 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.52 4.60 0.00 3.86 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 0.00 118 L 8.35 4.68 0.00 1.13 1.13 0.78 0.19 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 0.00 119 V 8.76 4.66 2.38 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 0.58 0.00 0.00 1.24 0.00 0.00 120 G 8.85 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 0.00 0.00 0.00 0.00 121 C 8.36 4.87 0.00 2.52 2.39 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 *123 V 8.00 4.38 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 0.88 0.00 0.00 1.09 0.00 0.00 124 S 9.10 4.25 0.00 3.92 3.66 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 0.00 0.00 0.00 0.00 125 P 0.00 4.53 0.00 1.99 1.88 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.48 0.00 126 G 9.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.87 4.58 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.04 4.20 4.37 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 1.20 0.00 0.00 129 F 8.26 3.82 0.00 3.02 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.87 4.51 0.00 2.68 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 0.00 131 D 8.11 5.14 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 7.14 5.46 0.00 3.24 3.31 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 0.00 133 E 6.17 4.54 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 0.00 134 L 8.49 4.73 0.00 1.97 1.62 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.48 5.02 0.00 2.96 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 0.00 136 S 8.67 4.60 0.00 4.04 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 0.00 137 Q 8.56 4.54 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 138 E 8.56 3.81 0.00 2.12 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 2.42 2.47 0.00 139 A 8.45 4.01 1.43 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 0.00 140 L 7.73 3.98 0.00 1.82 1.73 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.82 4.32 0.00 1.76 1.72 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.21 4.09 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 *144 Y 7.29 5.36 0.00 2.97 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 0.00 145 P 0.00 4.47 0.00 2.16 2.07 0.00 3.60 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 2.07 2.44 0.00 146 Q 8.07 4.23 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.89 0.00 0.00 0.00 0.00 0.00 1.83 2.15 0.00 147 H 7.83 4.87 0.00 3.19 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.07 3.82 0.00 1.80 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 149 A 8.07 4.02 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 0.00 150 V 7.77 3.85 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 1.04 0.00 0.00 0.64 0.00 0.00 151 V 7.78 4.04 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 1.09 0.00 0.00 0.96 0.00 0.00 152 Q 8.01 4.44 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.49 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 153 K 7.84 4.43 0.00 1.72 1.65 0.00 1.56 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.36 7.81 154 L 6.96 4.60 0.00 0.44 0.81 -0.17 0.28 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 0.00 155 S 7.90 4.99 0.00 4.19 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.26 5.07 0.00 1.71 1.73 0.00 3.17 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 157 P 0.00 4.80 0.00 2.19 2.24 0.00 3.92 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 2.00 1.97 0.00 158 E 10.03 4.11 0.00 1.99 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 2.22 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.