NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.8165 8.4449 117.8372 56.2596 29.9932 172.9215 1D H 4.5139 8.7862 119.0657 55.7484 29.5961 172.9277 1E H 5.0887 7.5851 115.5077 53.5787 33.5574 171.9042 1F H 4.6100 8.9136 116.9239 56.0222 28.8494 174.3642 1G F 4.8700 8.4102 119.2526 57.8719 39.9167 174.1128 2 N 4.6135 8.5230 117.3798 52.3758 38.8076 174.4778 3 L 4.7206 8.1113 123.5855 52.2784 43.6871 174.7032 4 P 4.5797 0.0000 0.0000 61.1658 32.5909 173.9524 5 P 4.3835 0.0000 0.0000 62.4249 32.2951 174.3127 6 G 3.6931 7.8179 104.1059 44.5434 0.0000 172.0148 7 N 4.2746 7.9682 115.5661 52.5449 39.6453 173.5570 8 Y 4.8366 7.8908 113.4189 57.8081 38.4264 177.0845 9 K 4.0588 8.2808 121.3118 59.2419 32.2265 177.3622 10 K 4.6198 7.6186 115.2498 53.8651 34.3317 174.4215 11 P 4.8088 0.0000 0.0000 62.9398 32.9117 175.3535 12 K 5.2144 9.5314 120.2524 55.2054 37.3506 175.0826 13 L 5.3005 8.9334 120.8372 52.5956 44.7665 176.3172 14 L 5.0634 8.8932 122.0819 53.4565 43.4370 173.9970 15 Y 4.9149 9.4381 126.5611 56.5012 40.6081 173.5583 16 C 4.2173 8.9211 128.4309 56.7954 32.1745 174.4380 17 S 3.8277 8.3268 121.9955 61.1129 62.7564 174.9248 18 N 4.0091 7.5908 118.4245 56.1717 38.4919 175.1319 19 G 3.8797 7.5738 102.9478 44.3432 0.0000 172.1151 20 G 3.5125 7.6401 106.5835 44.7478 0.0000 173.4288 21 H 4.9576 6.8804 114.1930 53.6725 33.6026 174.4142 22 F 5.2433 9.1477 120.8709 56.1781 40.5626 175.2771 23 L 4.6879 9.3455 126.6342 55.6745 43.3442 175.7239 24 R 5.0675 9.6378 125.4562 54.8121 33.9138 173.6545 25 I 5.0066 8.4271 126.4869 59.4873 38.8993 175.7909 26 L 4.1359 9.2015 128.0751 53.4125 42.2828 176.8941 27 P 4.2720 0.0000 0.0000 65.6921 31.2734 177.4501 28 D 4.4637 7.9859 114.9144 53.7853 39.7884 177.0169 29 G 4.1663 8.6554 109.7065 45.5577 0.0000 173.3458 30 T 4.4114 8.7503 115.1850 61.3815 68.0678 173.4375 31 V 4.9308 7.8418 126.8888 61.3132 34.4397 174.7099 32 D 4.5709 8.7567 124.7109 53.2802 43.3309 174.3292 33 G 4.5818 8.6666 104.5907 45.5045 0.0000 172.1951 34 T 5.0204 8.8988 114.7113 60.5916 71.0783 174.6767 35 R 4.3480 8.8574 123.8749 56.7652 30.9798 176.5215 36 D 4.6080 8.2886 121.4924 53.7961 40.0242 177.4214 37 R 3.6103 8.6037 126.1001 58.4078 29.5444 175.5512 38 S 4.3196 8.4321 109.6819 59.7253 63.5957 174.2524 39 D 4.3201 7.7993 121.3052 55.2464 41.1076 176.3221 40 Q 4.1117 8.4964 123.3941 57.2803 29.5073 176.0473 41 H 4.7790 9.5358 116.9039 55.4794 28.9419 174.9680 42 I 4.6264 7.3744 110.8635 59.8527 39.0711 174.0690 43 Q 4.7229 7.2906 122.2997 54.4629 30.9791 174.5122 44 F 5.2938 9.2815 122.1195 55.6600 43.6636 173.8113 45 Q 4.7879 9.6554 124.6803 54.7685 30.1731 174.5506 46 L 5.1476 8.6081 126.8763 54.1166 43.5215 176.3315 47 S 4.5545 8.5268 114.9368 57.0339 66.6465 173.0419 48 A 4.6990 8.4234 123.0696 52.4662 20.6647 176.7962 49 E 4.1263 9.0383 120.6669 56.6242 29.4918 178.6488 50 S 4.5995 5.8100 116.0861 56.6958 65.1615 173.5051 51 V 3.9157 8.1934 121.3544 64.8566 31.5114 176.2147 52 G 3.9661 9.2696 115.1064 45.0844 0.0000 171.9247 53 E 5.1862 8.1280 119.7263 54.6998 32.2198 175.6110 54 V 4.8686 8.7688 116.0215 59.9120 36.7599 173.8076 55 Y 5.0405 8.9096 120.2974 56.4596 40.8506 175.2160 56 I 4.2788 8.6165 123.6323 59.6241 39.7133 173.8622 57 K 4.6283 8.7932 129.5049 54.0341 34.5829 175.2792 58 S 4.7564 9.0665 123.7017 58.7295 62.6501 174.9405 59 T 3.8986 8.5098 118.3667 64.3176 68.7756 175.8810 60 E 4.0523 8.2219 122.7879 58.5771 29.9539 176.9972 61 T 4.2605 7.9866 106.2764 61.0869 70.0298 175.7152 62 G 3.8567 8.1037 109.9867 44.9692 0.0000 173.7179 63 Q 4.4249 7.8412 119.2164 56.1821 30.2203 174.6947 64 Y 4.9447 8.9195 120.1391 55.8995 40.7095 175.1418 65 L 4.3569 8.8805 126.0376 55.4372 43.3225 175.6543 66 A 4.9885 8.7785 126.1623 50.6726 23.3152 174.4070 67 M 5.2850 8.6248 119.0521 53.8844 34.9021 175.4867 68 D 5.2732 9.5079 126.1206 51.7100 41.1153 177.1477 69 T 4.2714 8.5417 108.5722 64.1559 68.5672 174.4705 70 D 4.6176 8.4813 120.8445 53.9140 41.4964 176.9505 71 G 3.1227 8.5861 108.4984 45.6609 0.0000 172.7714 72 L 4.7854 7.7282 119.0891 52.6311 43.2605 176.1624 73 L 5.0575 8.3429 123.0861 55.3742 42.7159 175.5104 74 Y 4.9032 8.8130 118.7826 56.3750 41.9413 173.2488 75 G 4.3041 8.8108 108.3863 45.2163 0.0000 173.1982 76 S 5.1182 9.0315 121.4086 56.7438 63.9995 175.3668 77 Q 4.2277 9.0910 125.3619 58.1766 28.9357 176.4635 78 T 4.6611 7.6170 106.2538 58.9601 71.5455 172.6985 79 P 3.8769 0.0000 0.0000 61.1473 30.1399 174.7653 80 N 5.1295 7.6919 125.6209 51.3392 40.5179 175.5293 81 E 3.9297 8.6544 114.4088 59.5903 29.4777 178.3026 82 E 4.1653 9.1158 118.8098 58.0125 29.7299 177.4976 83 C 4.8519 7.8861 115.0081 58.7811 29.0415 173.3068 84 L 4.1608 7.0270 120.6718 53.7160 42.5068 175.8844 85 F 5.1515 8.7629 122.0276 55.5298 43.2368 174.6498 86 L 4.7536 9.4424 123.5368 53.7021 42.5498 175.5570 87 E 4.4134 8.8448 126.9480 55.4014 30.0844 175.8000 88 R 4.8037 8.5504 125.4379 53.9817 34.7821 174.6975 89 L 4.7070 8.7316 123.5268 55.2423 43.1469 175.8159 90 E 4.6883 9.0565 124.5028 55.2508 33.5671 174.9631 91 E 3.9580 9.6571 124.1905 57.8480 27.2458 174.2654 92 N 4.3232 8.6002 110.7268 54.2474 36.6094 174.0836 93 H 4.7432 8.5262 116.2636 57.7948 35.9546 173.5019 94 Y 4.5153 7.8394 115.9202 57.4939 40.0880 173.4120 95 N 5.5315 9.5172 118.2532 51.9722 41.1042 174.6538 96 T 5.1992 8.7174 112.8543 60.1004 72.8135 172.6929 97 Y 4.9050 8.6316 119.6914 56.5998 41.0328 174.2466 98 I 4.6168 8.4906 126.0387 59.1811 39.5556 175.5810 99 S 4.1382 8.7505 122.2072 58.5606 62.4492 174.0409 100 K 3.9633 8.8112 129.4697 59.3832 32.3164 178.6449 101 K 3.7599 7.9267 118.2109 59.1583 32.2105 176.8944 102 H 4.7487 8.0192 115.2773 54.9253 29.5855 176.5005 103 A 3.9517 7.7952 125.2340 55.3339 18.2673 180.6645 104 E 3.7704 7.7903 111.5170 58.1480 29.7459 177.5638 105 K 3.9596 7.5395 117.8197 55.6517 32.8583 175.7847 106 N 3.9361 7.5155 115.6432 53.9966 36.4240 174.5117 107 W 5.1139 7.6041 117.4730 55.5408 31.2791 177.2312 108 F 5.4643 9.1021 123.2752 55.3738 41.5264 175.3200 109 V 3.9689 9.0570 121.4416 63.0515 32.4921 175.1899 110 G 4.3014 8.3885 111.9479 45.6068 0.0000 171.7249 111 L 5.2870 8.2568 120.6215 52.5211 45.4908 177.0769 112 K 4.1353 8.8600 122.4810 55.3621 32.9744 178.3650 113 K 4.1039 8.4996 119.8776 59.3751 31.9158 177.8465 114 N 4.5403 8.0443 113.5767 52.8017 37.9664 175.8954 115 G 3.5266 8.5962 109.6576 45.0857 0.0000 173.7764 116 S 4.7532 8.1710 114.8447 57.2362 64.3224 173.6116 117 C 4.7051 8.3735 119.3618 60.2787 28.6279 173.2444 118 K 4.5141 8.6211 121.0387 55.3490 33.6819 176.4541 119 R 4.1755 8.3710 122.0134 55.0877 31.5809 177.5258 120 G 3.3634 8.7409 114.1711 48.2313 0.0000 174.2034 121 P 4.3256 0.0000 0.0000 64.3399 31.4015 177.3483 122 R 4.4350 8.0404 116.1870 55.9706 30.2794 176.0177 123 T 5.2435 7.5677 108.3473 59.6425 71.0761 173.1880 124 H 4.7083 7.8370 115.3547 55.0486 30.4211 173.1353 125 Y 3.9146 8.7446 118.3617 59.9311 38.0777 176.9516 126 G 4.1007 9.0127 111.4103 45.6405 0.0000 174.0806 127 Q 4.2084 7.4447 118.7937 55.2400 29.7955 177.1148 128 K 3.8117 8.2835 118.7901 58.7304 32.8378 179.4480 129 A 3.9778 8.0559 121.2122 54.0584 18.2975 178.5218 130 I 4.3737 7.1660 105.7827 60.6562 38.2002 175.3491 131 L 4.3587 7.3410 123.2888 54.0327 42.5287 175.7805 132 F 5.1542 9.4242 122.6890 55.5622 43.2499 174.4227 133 L 5.3065 9.2501 121.9071 52.4266 44.1415 173.9998 134 P 5.1401 0.0000 0.0000 62.4620 32.2674 175.5584 135 L 5.0316 9.1492 125.3088 51.6061 44.8175 174.3310 136 P 4.5600 0.0000 0.0000 63.2170 31.9722 176.3058 137 V 3.8551 8.0112 121.3549 63.2121 31.0696 175.5650 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 1C H 8.44 4.82 0.00 3.10 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.79 4.51 0.00 3.18 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.59 5.09 0.00 3.16 3.30 0.00 5.71 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 1F H 8.91 4.61 0.00 3.32 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.41 4.87 0.00 2.90 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 2 N 8.52 4.61 0.00 2.94 2.79 0.00 0.00 6.91 6.74 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 3 L 8.11 4.72 0.00 1.48 1.41 0.52 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.58 0.00 2.16 2.08 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 5 P 0.00 4.38 0.00 2.17 2.06 0.00 3.71 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 1.95 1.93 0.00 6 G 7.82 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 7 N 7.97 4.27 0.00 2.64 2.64 0.00 0.00 5.83 7.55 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 8 Y 7.89 4.84 0.00 3.08 3.26 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 0.00 9 K 8.28 4.06 0.00 1.79 1.92 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.58 7.81 10 K 7.62 4.62 0.00 1.76 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.45 7.81 11 P 0.00 4.81 0.00 2.05 2.00 0.00 3.55 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 12 K 9.53 5.21 0.00 1.74 1.89 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.54 7.81 13 L 8.93 5.30 0.00 1.81 1.75 0.45 0.37 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 14 L 8.89 5.06 0.00 1.56 1.46 0.21 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.44 4.91 0.00 3.27 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 16 C 8.92 4.22 0.00 2.37 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.33 3.83 0.00 3.90 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 18 N 7.59 4.01 0.00 2.58 2.69 0.00 0.00 6.70 7.98 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 19 G 7.57 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 0.00 0.00 0.00 20 G 7.64 3.51 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 0.00 0.00 0.00 21 H 6.88 4.96 0.00 2.98 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.15 5.24 0.00 3.08 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 23 L 9.35 4.69 0.00 1.90 1.65 0.98 -0.08 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 24 R 9.64 5.07 0.00 1.95 2.09 0.00 3.27 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 25 I 8.43 5.01 2.05 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 1.29 1.12 0.97 0.00 0.00 26 L 9.20 4.14 0.00 1.86 1.53 0.93 0.94 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 27 P 0.00 4.27 0.00 2.01 2.11 0.00 3.47 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 28 D 7.99 4.46 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.75 4.41 4.34 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 1.23 0.00 0.00 31 V 7.84 4.93 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 0.92 0.00 0.00 0.98 0.00 0.00 32 D 8.76 4.57 0.00 2.81 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 33 G 8.67 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 5.02 4.34 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 1.38 0.00 0.00 35 R 8.86 4.35 0.00 1.89 2.01 0.00 3.23 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.48 0.00 36 D 8.29 4.61 0.00 2.85 2.66 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 37 R 8.60 3.61 0.00 1.87 1.84 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 38 S 8.43 4.32 0.00 3.91 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 39 D 7.80 4.32 0.00 2.75 2.66 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 40 Q 8.50 4.11 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.18 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 41 H 9.54 4.78 0.00 3.25 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.37 4.63 1.94 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 1.09 0.00 0.00 43 Q 7.29 4.72 0.00 1.81 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 44 F 9.28 5.29 0.00 2.85 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 45 Q 9.66 4.79 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 46 L 8.61 5.15 0.00 1.71 1.32 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.53 4.55 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.42 4.70 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 49 E 9.04 4.13 0.00 1.75 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 2.22 2.37 0.00 50 S 5.81 4.60 0.00 4.05 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 0.00 51 V 8.19 3.92 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 0.95 0.00 0.00 1.04 0.00 0.00 52 G 9.27 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 53 E 8.13 5.19 0.00 1.85 1.71 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 2.23 2.40 0.00 54 V 8.77 4.87 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 0.71 0.00 0.00 1.12 0.00 0.00 55 Y 8.91 5.04 0.00 2.95 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 56 I 8.62 4.28 1.59 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 0.91 0.70 0.18 0.00 0.00 57 K 8.79 4.63 0.00 1.50 1.64 0.00 1.08 0.00 0.00 1.20 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.04 0.74 7.81 58 S 9.07 4.76 0.00 3.98 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.51 3.90 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 1.16 0.00 0.00 60 E 8.22 4.05 0.00 1.89 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 2.16 2.33 0.00 61 T 7.99 4.26 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 62 G 8.10 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 0.00 0.00 0.00 63 Q 7.84 4.42 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 64 Y 8.92 4.94 0.00 2.96 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 65 L 8.88 4.36 0.00 1.41 1.36 0.71 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.78 4.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.62 5.29 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 68 D 9.51 5.27 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 69 T 8.54 4.27 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 1.34 0.00 0.00 70 D 8.48 4.62 0.00 2.79 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 71 G 8.59 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 0.00 0.00 0.00 72 L 7.73 4.79 0.00 1.98 1.60 0.87 0.48 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 73 L 8.34 5.06 0.00 1.56 1.60 0.88 0.88 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 74 Y 8.81 4.90 0.00 3.00 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 75 G 8.81 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 76 S 9.03 5.12 0.00 3.78 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 77 Q 9.09 4.23 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.62 4.66 4.17 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 1.23 0.00 0.00 79 P 0.00 3.88 0.00 1.03 0.49 0.00 3.46 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.29 0.00 80 N 7.69 5.13 0.00 2.94 2.97 0.00 0.00 5.87 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 81 E 8.65 3.93 0.00 2.11 2.23 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 2.35 2.32 0.00 82 E 9.12 4.17 0.00 2.20 2.23 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 2.38 2.44 0.00 83 C 7.89 4.85 0.00 3.23 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 84 L 7.03 4.16 0.00 1.40 1.29 0.79 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.76 5.15 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.44 4.75 0.00 1.45 1.59 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.84 4.41 0.00 2.15 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 2.22 2.00 0.00 88 R 8.55 4.80 0.00 1.75 1.77 0.00 3.05 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 89 L 8.73 4.71 0.00 1.71 1.69 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.06 4.69 0.00 2.21 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 2.29 2.42 0.00 91 E 9.66 3.96 0.00 2.40 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 0.00 2.28 2.38 0.00 92 N 8.60 4.32 0.00 2.85 2.89 0.00 0.00 6.85 8.16 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 93 H 8.53 4.74 0.00 2.86 2.94 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.84 4.52 0.00 3.04 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.52 5.53 0.00 3.05 2.63 0.00 0.00 6.96 6.77 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 96 T 8.72 5.20 4.48 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 1.34 0.00 0.00 97 Y 8.63 4.91 0.00 2.70 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 98 I 8.49 4.62 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.67 0.59 0.00 0.00 99 S 8.75 4.14 0.00 4.04 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 0.00 100 K 8.81 3.96 0.00 1.68 1.62 0.00 1.71 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.30 7.81 101 K 7.93 3.76 0.00 1.73 1.60 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.02 1.30 7.81 102 H 8.02 4.75 0.00 3.20 2.51 0.00 5.69 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 0.00 103 A 7.80 3.95 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 0.00 104 E 7.79 3.77 0.00 1.73 1.62 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 2.05 2.11 0.00 105 K 7.54 3.96 0.00 0.79 0.94 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.95 0.79 7.81 106 N 7.52 3.94 0.00 3.00 3.07 0.00 0.00 6.88 7.42 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 0.00 107 W 7.60 5.11 0.00 3.27 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 0.00 108 F 9.10 5.46 0.00 2.85 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 0.00 109 V 9.06 3.97 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 0.62 0.00 0.00 0.42 0.00 0.00 110 G 8.39 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 0.00 111 L 8.26 5.29 0.00 1.45 1.43 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.86 4.14 0.00 1.91 1.67 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.51 7.81 113 K 8.50 4.10 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.38 7.81 114 N 8.04 4.54 0.00 2.79 2.90 0.00 0.00 6.24 7.00 0.00 0.00 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 8.60 3.53 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 0.00 0.00 0.00 116 S 8.17 4.75 0.00 3.98 3.96 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 0.00 117 C 8.37 4.71 0.00 2.87 2.90 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 0.00 118 K 8.62 4.51 0.00 1.66 1.68 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.26 7.81 119 R 8.37 4.18 0.00 1.64 1.62 0.00 3.05 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 1.57 1.55 0.00 120 G 8.74 3.36 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 0.00 121 P 0.00 4.33 0.00 1.98 2.20 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 122 R 8.04 4.43 0.00 1.82 1.92 0.00 3.28 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.57 5.24 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 124 H 7.84 4.71 0.00 3.46 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.74 3.91 0.00 3.14 2.95 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 0.00 126 G 9.01 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 0.00 127 Q 7.44 4.21 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.74 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 128 K 8.28 3.81 0.00 1.72 1.64 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.26 7.81 129 A 8.06 3.98 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 0.00 130 I 7.17 4.37 1.66 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 0.49 0.00 0.00 131 L 7.34 4.36 0.00 0.98 0.62 0.40 0.84 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 0.00 132 F 9.42 5.15 0.00 3.38 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 0.00 133 L 9.25 5.31 0.00 1.93 1.77 1.11 0.94 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 0.00 134 P 0.00 5.14 0.00 2.21 2.26 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 135 L 9.15 5.03 0.00 1.68 1.64 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.56 0.00 2.08 2.08 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 137 V 8.01 3.86 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 0.67 0.00 0.00 0.90 0.00 0.00