NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8744 8.3549 109.7309 44.8029 0.0000 173.4433 4 S 3.8545 8.4752 117.0687 58.0770 63.6866 171.4585 5 Q 4.7031 9.0333 127.7205 54.8012 30.8862 173.6425 6 Y 4.7387 9.5550 123.2653 56.2554 42.7544 173.9458 7 F 5.4004 8.8409 118.6415 55.8847 41.6584 175.2868 8 L 4.7615 9.0018 123.9006 53.2249 45.5407 174.7548 9 K 5.0873 8.8318 127.7051 54.8776 34.0958 174.8028 10 V 4.9114 8.6769 127.6857 59.7826 34.5421 174.7935 11 L 4.8259 8.4957 122.9836 54.2638 43.0133 176.3652 12 I 4.5020 8.9361 124.3484 58.4664 39.9303 173.6375 13 P 4.5483 0.0000 0.0000 62.3816 31.8540 177.5843 14 S 4.1743 8.7491 116.5015 61.8839 62.5683 176.3624 15 Y 4.2201 7.9299 119.6358 59.4879 37.9256 177.3696 16 A 4.0588 7.2894 121.9730 53.7046 18.7281 179.3421 17 A 4.0356 7.7724 119.9279 55.2097 18.3792 179.8687 18 G 3.6756 8.1512 104.0751 48.1337 0.0000 175.8593 19 S 4.1752 8.0024 114.9570 60.9041 63.1189 176.3399 20 I 4.1294 7.2064 123.0689 64.3436 37.1910 178.0987 21 I 3.9427 7.9390 120.7380 62.9161 37.2454 177.7528 22 G 4.5512 7.9584 103.3367 45.8990 0.0000 172.6414 23 K 4.1226 8.3785 118.2678 57.4094 32.3981 178.4278 24 G 3.7925 9.5975 110.2684 45.7851 0.0000 174.3789 25 G 3.9489 8.0582 107.1256 46.0099 0.0000 175.6957 26 Q 4.0127 8.2026 120.6563 59.2574 28.4607 179.2596 27 T 3.8936 7.7822 116.0531 66.7343 68.7241 176.7220 28 I 3.6701 7.9880 120.7590 63.6399 37.8346 178.2385 29 V 3.4879 7.8198 119.4590 65.9326 31.3529 177.6122 30 Q 3.9023 7.9738 119.3438 59.1896 28.8592 178.1833 31 L 3.7154 7.8286 121.0950 58.1588 41.9786 178.9241 32 Q 4.0955 7.8602 119.2721 58.1792 28.4245 178.6357 33 K 3.8482 8.0238 119.6921 59.8160 32.3364 178.4429 34 E 4.0879 8.2891 117.8104 58.9266 29.4223 178.5951 35 T 4.2736 7.9472 108.3514 61.4705 69.7005 176.1891 36 G 3.8879 8.4391 109.3872 45.0227 0.0000 173.5863 37 A 4.4071 7.4745 121.9434 52.2495 19.8845 176.5009 38 T 4.7121 8.6576 117.1733 62.2380 70.8016 174.1486 39 I 5.0636 8.8790 126.0820 59.4580 40.7318 174.7543 40 K 4.6082 9.0081 127.7819 54.6075 35.1455 174.9948 41 L 5.0167 8.5366 126.8258 53.4599 43.2070 176.7682 42 S 4.3539 8.5671 118.2954 58.5958 63.7322 174.8317 43 K 4.1654 8.5442 121.0099 55.9942 32.7021 178.0928 44 S 4.0375 8.5510 116.0555 61.1501 62.1313 175.7542 45 K 3.6946 7.5915 117.3472 55.9785 32.4634 176.2623 46 D 4.5701 7.2349 120.0423 52.3716 40.3427 174.9851 47 F 5.3248 7.6340 121.1741 55.7232 41.3293 174.7030 48 Y 4.2153 9.0296 123.0023 56.9933 39.8585 173.5190 49 P 4.1764 0.0000 0.0000 64.2978 31.7061 176.5733 50 G 3.8990 9.3150 111.8999 45.6823 0.0000 172.1499 51 T 4.7315 7.8565 108.4583 60.3711 71.8805 173.5585 52 T 3.4700 8.0649 115.2376 62.9242 69.1517 173.9493 53 E 4.8490 7.5798 120.0312 54.5075 33.0116 176.1034 54 R 4.6563 8.9812 122.8419 56.1993 32.0089 175.4846 55 V 4.4596 8.3599 121.0619 61.7055 33.9017 173.9972 56 C 5.0760 9.1543 128.4849 57.6714 33.7900 172.0810 57 L 4.7928 8.8272 129.9901 53.9831 43.2651 175.1182 58 I 5.1544 8.7998 127.2700 59.5313 40.6036 174.4321 59 Q 4.6914 8.9308 127.1872 54.4698 31.9558 174.6972 60 G 4.4155 8.1719 112.0776 46.4504 0.0000 172.6325 61 T 4.7921 7.8864 108.7426 60.8445 69.7953 175.0517 62 I 3.6515 8.7408 123.6577 65.0711 37.0439 178.2258 63 E 3.9582 8.2218 118.1027 59.3715 29.2735 179.0631 64 A 4.0075 8.0895 120.7083 55.1224 18.3737 179.5049 65 L 3.9662 8.1798 117.6138 58.1391 41.6228 179.6307 66 N 4.3248 8.2681 115.8343 56.2456 38.0124 177.2038 67 A 4.0277 8.3828 122.5396 55.4243 18.5166 179.9247 68 V 3.5752 8.4788 117.2321 66.2212 31.4966 177.6783 69 H 4.2562 8.5850 118.3431 59.3252 29.7712 177.4814 70 G 3.6433 8.1384 107.4633 47.7483 0.0000 175.3900 71 F 4.1743 8.0446 122.0333 60.8996 39.3361 177.4592 72 I 3.6894 7.9656 119.3588 64.4569 36.8914 178.2704 73 A 3.9308 8.1221 121.8870 54.8858 17.8841 179.3531 74 E 3.7733 7.8616 117.1660 59.3571 30.0541 178.9225 75 K 4.2596 7.5380 119.7029 58.9604 31.8633 179.3223 76 I 3.6836 7.7502 119.2456 64.5676 37.1527 178.3405 77 R 4.0586 7.9843 117.6028 57.3475 29.8649 176.3823 78 E 4.5466 7.8306 119.0130 53.8566 31.8694 173.9806 *80 P 4.3418 0.0000 0.0000 62.3733 31.8857 175.8894 81 Q 4.1097 7.5073 122.8036 57.3504 30.1190 176.3044 82 N 4.8576 8.0258 120.4133 51.6441 40.7028 171.9376 *100 P 4.4765 0.0000 0.0000 62.3948 33.4365 179.0404 101 D 4.4633 7.9031 117.2454 57.0417 41.3408 178.4142 102 R 4.6379 8.2378 117.9515 58.1181 30.4691 178.0838 103 A 4.1211 7.6260 119.9736 54.5784 18.5057 177.6088 104 N 4.9820 8.0599 111.4254 52.9151 38.8629 174.8034 105 Q 4.8802 7.9371 118.0819 54.9438 31.6890 174.6558 106 V 4.7203 9.0106 121.6534 61.0417 34.9004 174.3584 107 K 5.0810 8.5800 125.5816 54.6713 35.2806 175.0106 108 I 4.8640 9.1180 125.5034 59.4811 41.2158 174.6347 109 I 4.7700 8.4974 127.1615 60.0306 38.1422 175.5014 110 V 4.5115 8.4002 120.9989 58.4374 34.8160 174.0620 111 P 4.6396 0.0000 0.0000 63.1408 32.0743 177.2296 112 N 4.3541 9.1720 120.7442 56.5496 38.5472 178.1004 113 S 4.1308 8.0571 115.4963 61.6383 63.0736 176.4295 114 T 4.0268 7.9157 112.4506 63.9139 68.7981 176.5597 115 A 4.0415 8.1563 124.2315 54.9440 18.3060 179.5417 116 G 3.6776 8.2709 104.4123 48.2779 0.0000 175.8929 117 L 4.0352 7.5151 119.7183 57.3448 41.4914 179.3477 118 I 3.8471 8.0930 120.2543 63.9276 36.8272 178.4082 119 I 3.7601 7.7844 120.9492 63.3014 37.5152 177.6158 120 G 4.5243 8.1762 105.1798 45.1584 0.0000 172.2953 121 K 4.1198 8.4653 119.5676 57.7525 32.4118 176.8148 122 G 4.1799 9.7712 115.1026 46.6129 0.0000 173.3026 123 G 3.9208 8.1195 103.1154 46.1953 0.0000 176.5717 124 A 4.0594 8.0665 124.3663 54.9359 18.2854 180.8455 125 T 3.9315 8.2453 114.9270 66.6497 68.4449 177.4055 126 V 3.6348 7.1708 118.8484 65.6916 31.5868 177.8271 127 K 4.1099 7.7312 116.8806 59.5837 32.2598 178.7247 128 A 4.2199 7.8580 120.3214 55.1102 18.1565 180.1393 129 I 3.8726 7.8587 115.1304 62.3627 36.6340 177.8620 *131 E 4.2980 8.0699 121.2944 56.7010 31.3492 177.3923 132 Q 4.0727 8.7551 117.1705 58.9134 28.7690 177.5148 133 S 4.5261 8.1644 110.8352 57.6925 64.4237 173.8734 134 G 3.9669 8.4729 106.0696 45.3455 0.0000 173.4064 135 A 4.6910 7.5004 121.5637 50.7207 20.4462 177.4376 136 W 5.1911 9.6784 131.0114 55.9731 32.3758 175.3014 137 V 4.6559 8.6410 127.0037 59.9645 32.9323 174.9105 138 Q 4.4849 8.7337 123.6080 53.7359 32.6695 174.1788 139 L 5.9516 8.2568 118.8817 51.8209 45.9477 176.4518 140 S 4.0833 8.4777 115.0686 58.8023 63.8674 173.2203 141 Q 3.9409 9.1458 121.4679 56.4929 28.2853 177.0189 142 K 4.3666 7.7182 121.5808 56.2702 33.9250 172.4873 143 P 4.3106 0.0000 0.0000 64.2342 32.4545 176.9860 *148 L 4.1593 7.3625 119.3720 53.8428 42.8764 176.0791 149 Q 4.7034 8.2780 116.1958 56.8086 29.6492 174.4854 150 N 5.5172 8.3173 115.5747 52.6699 41.7409 174.2221 151 R 4.7791 8.9989 120.1877 54.4577 34.6341 174.5508 152 V 4.5008 8.8977 121.0560 61.4382 33.6506 174.5549 153 V 4.6707 9.3422 128.9978 61.5535 33.6947 174.1747 154 T 4.8478 8.6985 125.4052 61.8167 70.7726 173.5303 155 V 4.9069 8.9368 127.1719 61.0493 34.3301 174.4952 156 S 5.3163 9.3061 121.2328 55.6401 66.9176 174.4784 157 G 4.0809 8.5449 107.8756 44.3008 0.0000 172.5025 158 E 4.2202 8.0913 119.1748 55.2089 31.2669 176.1901 159 P 4.2621 0.0000 0.0000 66.3593 31.2658 178.9719 160 E 4.0077 8.1526 116.3717 59.1438 29.3589 179.3702 161 Q 3.9850 8.0092 117.8119 59.0431 28.9271 177.9843 162 N 4.2932 8.2601 117.4811 56.4371 38.5552 177.1443 163 R 3.9018 8.2495 120.1383 59.5449 30.1594 178.3586 164 K 3.8919 7.8628 118.9427 59.3972 32.2104 178.4760 165 A 3.9841 8.1515 121.1033 55.3436 18.2475 179.8614 166 V 3.5110 8.1497 117.1268 65.7670 31.4359 177.8063 167 E 4.2569 8.3582 120.8842 58.8567 29.5062 178.9245 168 L 3.9641 7.9647 118.8809 57.6299 41.5536 179.7176 169 I 3.6581 7.7116 119.8193 64.5390 37.0662 178.4169 170 I 3.6943 8.0001 120.9592 64.5399 36.8802 178.3749 171 Q 3.9046 8.2003 118.9982 58.9963 28.2846 179.2507 172 K 4.0015 7.7617 118.5320 59.2973 32.1640 178.9619 173 I 3.8385 7.8725 119.7804 64.6210 37.1058 177.8672 174 Q 3.6899 8.0269 119.4957 58.0335 30.0291 177.2019 175 E 4.3688 7.5936 120.7353 52.4566 27.6679 173.8465 176 D 4.2271 7.1662 114.9488 52.7332 44.4115 174.0618 177 P 4.4866 0.0000 0.0000 62.1281 30.6779 175.9124 178 Q 4.1425 8.4984 124.1214 56.3453 29.0129 175.4745 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 G 8.35 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 4 S 8.48 3.85 0.00 3.97 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 5 Q 9.03 4.70 0.00 1.81 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.81 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 6 Y 9.55 4.74 0.00 2.76 2.80 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 7 F 8.84 5.40 0.00 2.95 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 8 L 9.00 4.76 0.00 1.76 1.50 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.83 5.09 0.00 1.85 1.70 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.40 7.81 10 V 8.68 4.91 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 0.90 0.00 0.00 0.97 0.00 0.00 11 L 8.50 4.83 0.00 1.49 1.83 0.80 0.71 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 12 I 8.94 4.50 1.94 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 1.33 0.85 0.00 0.00 13 P 0.00 4.55 0.00 1.55 2.11 0.00 3.55 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 14 S 8.75 4.17 0.00 4.19 4.38 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 15 Y 7.93 4.22 0.00 3.12 3.17 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 16 A 7.29 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.77 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.15 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 19 S 8.00 4.18 0.00 4.02 4.03 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 20 I 7.21 4.13 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 1.01 0.00 0.00 21 I 7.94 3.94 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.93 0.00 0.00 22 G 7.96 4.55 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 0.00 0.00 0.00 23 K 8.38 4.12 0.00 1.85 1.76 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.46 7.81 24 G 9.60 3.79 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 0.00 0.00 0.00 25 G 8.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.20 4.01 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 27 T 7.78 3.89 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 28 I 7.99 3.67 2.01 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 1.39 1.32 1.02 0.00 0.00 29 V 7.82 3.49 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 30 Q 7.97 3.90 0.00 2.43 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 31 L 7.83 3.72 0.00 1.49 1.63 0.42 0.08 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 32 Q 7.86 4.10 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 33 K 8.02 3.85 0.00 1.70 1.97 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 E 8.29 4.09 0.00 1.89 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 2.31 2.57 0.00 35 T 7.95 4.27 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 1.19 0.00 0.00 36 G 8.44 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 0.00 0.00 0.00 37 A 7.47 4.41 1.20 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 0.00 0.00 38 T 8.66 4.71 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39 I 8.88 5.06 1.86 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 1.11 0.58 0.92 0.00 0.00 40 K 9.01 4.61 0.00 1.81 1.63 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.39 7.81 41 L 8.54 5.02 0.00 1.56 1.59 0.95 0.95 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 42 S 8.57 4.35 0.00 3.79 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 43 K 8.54 4.17 0.00 1.76 1.67 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.40 7.81 44 S 8.55 4.04 0.00 3.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.59 3.69 0.00 1.55 1.53 0.00 1.57 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.31 7.81 46 D 7.23 4.57 0.00 2.58 2.44 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 47 F 7.63 5.32 0.00 3.02 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 48 Y 9.03 4.22 0.00 3.07 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 49 P 0.00 4.18 0.00 1.51 1.81 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 50 G 9.32 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.86 4.73 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 1.34 0.00 0.00 52 T 8.06 3.47 3.84 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 0.89 0.00 0.00 53 E 7.58 4.85 0.00 1.90 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 2.15 2.23 0.00 54 R 8.98 4.66 0.00 1.89 1.92 0.00 3.29 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 55 V 8.36 4.46 2.15 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 0.97 0.00 0.00 1.09 0.00 0.00 56 C 9.15 5.08 0.00 3.00 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 57 L 8.83 4.79 0.00 1.84 1.57 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.80 5.15 2.01 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 1.15 0.79 0.93 0.00 0.00 59 Q 8.93 4.69 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.01 1.19 0.00 60 G 8.17 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.79 4.27 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 1.21 0.00 0.00 62 I 8.74 3.65 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.84 0.00 0.00 63 E 8.22 3.96 0.00 1.98 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 0.00 2.40 2.33 0.00 64 A 8.09 4.01 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 65 L 8.18 3.97 0.00 1.93 1.76 0.96 1.04 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 66 N 8.27 4.32 0.00 2.91 2.88 0.00 0.00 6.97 6.40 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 67 A 8.38 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.48 3.58 2.15 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 1.00 0.00 0.00 0.91 0.00 0.00 69 H 8.58 4.26 0.00 3.26 3.46 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.14 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.04 4.17 0.00 3.22 3.15 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 72 I 7.97 3.69 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.90 0.00 0.00 73 A 8.12 3.93 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 74 E 7.86 3.77 0.00 2.05 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 2.22 2.28 0.00 75 K 7.54 4.26 0.00 1.84 1.74 0.00 1.76 0.00 0.00 1.32 0.00 0.00 2.35 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.01 1.28 7.81 76 I 7.75 3.68 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.96 0.00 0.00 77 R 7.98 4.06 0.00 2.07 2.02 0.00 3.10 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 78 E 7.83 4.55 0.00 2.04 1.83 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 2.20 2.49 0.00 *80 P 0.00 4.34 0.00 2.15 2.08 0.00 3.73 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 81 Q 7.51 4.11 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 7.20 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 82 N 8.03 4.86 0.00 2.67 2.67 0.00 0.00 6.96 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 *100 P 0.00 4.48 0.00 2.20 2.11 0.00 3.60 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 2.09 0.00 101 D 7.90 4.46 0.00 2.73 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 0.00 102 R 8.24 4.64 0.00 1.86 2.04 0.00 3.47 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 103 A 7.63 4.12 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 0.00 104 N 8.06 4.98 0.00 3.08 3.04 0.00 0.00 6.81 6.99 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 0.00 105 Q 7.94 4.88 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 106 V 9.01 4.72 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 0.79 0.00 0.00 1.00 0.00 0.00 107 K 8.58 5.08 0.00 1.64 1.57 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.39 7.81 108 I 9.12 4.86 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.86 0.00 0.00 109 I 8.50 4.77 1.69 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.20 0.71 0.00 0.00 110 V 8.40 4.51 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 0.71 0.00 0.00 0.96 0.00 0.00 111 P 0.00 4.64 0.00 2.11 2.06 0.00 3.62 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 2.14 2.14 0.00 112 N 9.17 4.35 0.00 2.87 2.88 0.00 0.00 6.86 7.38 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 0.00 113 S 8.06 4.13 0.00 4.05 4.13 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 0.00 0.00 0.00 114 T 7.92 4.03 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 1.30 0.00 0.00 115 A 8.16 4.04 1.41 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 0.00 0.00 0.00 116 G 8.27 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 0.00 117 L 7.52 4.04 0.00 1.80 1.74 1.02 0.78 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 0.00 118 I 8.09 3.85 1.99 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 1.50 0.96 0.88 0.00 0.00 119 I 7.78 3.76 1.99 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 1.44 0.93 0.91 0.00 0.00 120 G 8.18 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.12 0.00 1.80 1.71 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.45 7.81 122 G 9.77 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 0.00 0.00 0.00 0.00 123 G 8.12 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 0.00 124 A 8.07 4.06 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 0.00 125 T 8.25 3.93 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 126 V 7.17 3.63 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 0.83 0.00 0.00 1.02 0.00 0.00 127 K 7.73 4.11 0.00 1.94 1.89 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.65 7.81 128 A 7.86 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.87 2.07 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 1.52 0.73 0.91 0.00 0.00 *131 E 8.07 4.30 0.00 2.14 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 2.22 2.41 0.00 132 Q 8.76 4.07 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 133 S 8.16 4.53 0.00 4.12 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 0.00 134 G 8.47 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 0.00 135 A 7.50 4.69 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 0.00 136 W 9.68 5.19 0.00 3.25 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 0.00 137 V 8.64 4.66 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 0.80 0.00 0.00 0.83 0.00 0.00 138 Q 8.73 4.48 0.00 1.63 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.64 0.00 139 L 8.26 5.95 0.00 1.39 1.47 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.48 4.08 0.00 3.89 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 0.00 141 Q 9.15 3.94 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 142 K 7.72 4.37 0.00 1.65 1.67 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.24 7.81 143 P 0.00 4.31 0.00 2.20 2.11 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 *148 L 7.36 4.16 0.00 1.72 1.89 0.88 0.86 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 0.00 149 Q 8.28 4.70 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 150 N 8.32 5.52 0.00 2.69 2.87 0.00 0.00 6.93 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 0.00 151 R 9.00 4.78 0.00 1.68 1.77 0.00 3.28 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 152 V 8.90 4.50 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 0.83 0.00 0.00 0.88 0.00 0.00 153 V 9.34 4.67 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 0.88 0.00 0.00 0.87 0.00 0.00 154 T 8.70 4.85 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 1.10 0.00 0.00 155 V 8.94 4.91 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 1.09 0.00 0.00 0.86 0.00 0.00 156 S 9.31 5.32 0.00 3.94 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 0.00 157 G 8.54 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 0.00 158 E 8.09 4.22 0.00 2.29 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 2.36 0.00 159 P 0.00 4.26 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 160 E 8.15 4.01 0.00 2.06 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 2.41 2.47 0.00 161 Q 8.01 3.99 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 162 N 8.26 4.29 0.00 2.93 2.92 0.00 0.00 6.73 7.18 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 0.00 163 R 8.25 3.90 0.00 1.97 1.96 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 164 K 7.86 3.89 0.00 1.98 1.91 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 165 A 8.15 3.98 1.41 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 0.00 0.00 0.00 166 V 8.15 3.51 2.21 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 0.92 0.00 0.00 0.80 0.00 0.00 167 E 8.36 4.26 0.00 2.12 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 2.29 2.20 0.00 168 L 7.96 3.96 0.00 1.89 1.68 0.91 0.78 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 0.00 169 I 7.71 3.66 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.87 0.00 0.00 170 I 8.00 3.69 1.82 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 1.50 0.71 0.83 0.00 0.00 171 Q 8.20 3.90 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 172 K 7.76 4.00 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.66 1.60 7.81 173 I 7.87 3.84 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 1.02 0.00 0.00 174 Q 8.03 3.69 0.00 1.62 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.31 0.00 0.00 0.00 0.00 0.00 2.01 1.16 0.00 175 E 7.59 4.37 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 176 D 7.17 4.23 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 P 0.00 4.49 0.00 2.24 2.12 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 178 Q 8.50 4.14 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.