NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1054 8.0549 120.3919 62.3534 32.2975 175.1719 2 L 3.9446 8.2841 127.7904 52.5144 42.2128 176.2365 3 S 4.5068 9.7689 119.2863 57.8200 66.1328 175.0978 4 E 4.2790 8.8427 121.7387 59.6912 29.3100 179.8661 5 G 3.6455 8.1229 105.2002 47.8204 0.0000 175.4400 6 E 3.9258 8.2490 120.8864 59.0095 29.3872 179.4227 7 W 4.4375 8.2527 119.1383 59.9050 29.0423 178.2899 8 Q 4.0943 8.5960 119.6932 59.2073 28.3300 178.4259 9 L 4.0577 7.9597 119.7370 57.6772 41.6489 179.5776 10 V 3.7784 8.0169 118.1565 66.2552 31.6143 178.0297 11 L 4.3526 8.5698 118.3829 57.2696 41.3089 178.8909 12 H 4.2507 8.4050 118.5694 59.1914 30.2008 177.3262 13 V 3.7453 7.8554 121.2332 64.4843 31.4302 178.1696 14 W 3.8208 8.6362 128.8582 60.0404 30.0336 177.7734 15 A 4.0271 8.2460 120.8340 54.9578 17.2164 179.7491 16 K 3.6171 7.7080 117.0895 59.2220 31.9281 179.7525 17 V 2.9208 6.9008 118.6556 65.6501 31.3145 177.4686 18 E 3.9202 6.9864 116.2004 57.7330 29.2292 177.6547 19 A 4.1259 7.3271 120.9212 54.2167 19.4129 177.9433 20 D 4.7247 7.8748 114.9021 52.3208 42.8893 175.6540 21 V 3.5034 7.7925 123.3868 65.8690 32.1218 176.8454 22 A 4.0662 7.9694 120.1916 54.9373 18.2700 179.7275 23 G 3.5497 8.4480 104.4401 46.0534 0.0000 175.7430 24 H 4.1731 8.2320 118.6782 58.5652 28.6827 178.1969 25 G 3.5536 8.3440 107.7367 47.6548 0.0000 175.8158 26 Q 3.8784 8.1638 120.3534 59.0018 28.7817 178.7007 27 D 4.2827 7.9767 119.8045 57.2958 40.7375 179.0381 28 I 3.6741 7.9657 120.6537 64.3574 37.0665 178.5402 29 L 3.4242 7.8063 119.8582 57.4383 41.2154 179.6271 30 I 3.5568 7.6162 119.9102 64.2781 36.9584 178.3881 31 R 3.7752 7.9194 119.5187 59.2024 29.8348 178.1805 32 L 3.9403 7.8639 120.1792 58.4218 41.7725 179.1260 33 F 4.5748 8.0785 117.8847 60.4105 38.5750 178.0424 34 K 4.0226 8.2072 117.8609 59.6307 31.9861 179.3659 35 S 4.3293 8.1761 114.4737 60.2449 64.0193 174.5022 36 H 4.6482 8.1599 118.4774 52.2644 29.6248 171.9356 37 P 4.6324 0.0000 0.0000 64.2507 31.1764 177.4191 38 E 4.0967 8.2733 116.5789 59.4445 29.2816 179.1877 39 T 4.0526 8.2071 111.6132 64.6441 68.8784 176.4349 40 L 3.5671 7.9159 123.0818 57.6384 41.7885 178.4829 41 E 4.0176 7.7483 117.0463 58.6727 29.6187 178.3438 42 K 4.4456 8.0173 117.0076 57.0066 32.5505 177.2520 43 F 4.6241 8.1947 119.1811 55.5901 39.5795 175.5068 44 D 4.3550 8.5962 125.1949 57.4611 40.4566 178.7165 45 R 3.5534 7.8959 117.7372 58.4828 30.1280 176.6823 46 F 5.0732 8.1302 114.5616 56.6582 40.7836 176.4744 47 K 4.1381 7.6615 119.5181 58.5432 32.4101 177.6251 48 H 4.3868 8.0941 114.6192 57.0969 28.9743 175.1840 49 L 4.3015 7.7747 121.9513 54.4193 41.5082 176.6740 50 K 4.5137 9.4557 123.1424 56.2086 33.9415 176.7123 51 T 4.7440 7.4539 108.8024 58.8702 73.1678 174.1437 52 E 3.8923 8.6847 121.8996 59.4089 29.7316 178.8946 53 A 3.9793 7.9715 120.4068 55.2286 18.2368 179.3164 54 E 3.9495 8.1844 116.3143 59.6627 29.9252 179.1266 55 M 4.1635 8.1858 118.8211 58.4737 31.8606 179.0605 56 K 4.0185 8.2303 117.1825 58.7669 32.2740 178.5086 57 A 4.4388 7.6041 119.1054 51.8578 19.1726 177.0706 58 S 4.3226 7.4744 113.4225 57.3351 62.6571 174.4574 59 E 4.0178 8.8356 129.3831 59.2369 29.4463 177.9770 60 D 4.4180 8.1627 117.9569 57.0961 41.2962 177.7618 61 L 3.4723 8.1128 121.0571 57.8197 42.1492 178.8636 62 K 3.8711 7.9731 119.4273 59.3933 32.1294 178.9187 63 K 4.0180 8.3482 118.9452 59.8621 31.9392 178.8852 64 H 4.4468 8.7361 118.6491 59.0063 29.7428 177.4951 65 G 3.5744 8.4130 108.1428 47.6837 0.0000 175.8603 66 V 3.6105 7.7499 120.2598 65.9922 31.6449 178.0779 67 T 3.8868 7.9939 115.5046 66.7103 68.2936 176.5805 68 V 3.6041 7.9397 119.9840 66.2577 31.5881 178.1864 69 L 4.2451 8.1895 118.5592 57.8489 41.4081 179.6502 70 T 3.9716 8.4398 116.2719 66.5515 68.3818 176.5465 71 A 4.0049 8.0174 122.5770 55.0469 18.3896 179.4744 72 L 3.7664 8.2201 119.1638 58.0372 42.0984 179.3563 73 G 3.2704 8.5191 105.9259 47.6834 0.0000 175.5228 74 A 3.9959 7.7471 122.1804 54.7577 18.6493 179.5978 75 I 3.7917 7.6299 118.3359 64.5783 37.1870 178.6124 76 L 3.9617 7.9207 120.1813 57.7094 41.2078 179.5179 77 K 4.0052 7.8016 116.4380 58.1066 32.2678 178.5776 78 K 3.9864 7.8191 118.3673 55.7241 32.6848 176.4648 79 K 2.0000 8.3157 118.3329 56.3862 29.7875 175.1578 80 G 3.9739 7.8510 106.1610 45.9405 0.0000 173.7640 81 H 4.5583 7.4756 118.2719 55.7538 27.8800 175.1175 82 H 5.2411 7.3574 110.1095 54.5157 29.6800 176.2547 83 E 3.9291 8.5595 122.6439 60.2288 29.1087 178.4971 84 A 4.0478 7.9463 118.8275 55.1388 18.4974 178.8865 85 E 4.1467 8.1124 116.6096 59.1855 29.7826 179.0680 86 L 4.1138 8.2263 119.2543 57.1874 41.6646 178.6517 87 K 3.7616 8.0742 119.9658 59.6617 31.9683 176.8287 88 P 4.4144 0.0000 0.0000 65.5740 31.2922 178.1812 89 L 3.9691 7.5418 119.9906 57.9600 42.0747 178.6811 90 A 4.1249 8.4416 121.1046 55.3863 18.3385 179.6342 91 Q 3.8029 8.2109 116.7120 59.1332 28.7731 179.2728 92 S 4.0151 8.2572 115.3740 61.6551 63.0286 176.1941 93 H 4.2494 8.6233 119.7200 58.0744 27.9196 177.7399 94 A 2.9399 8.1131 123.4146 54.6684 17.8920 179.2657 95 T 3.7432 7.1526 105.5925 61.9652 69.7536 175.4686 96 K 4.1799 7.4395 120.6289 58.3243 33.2295 176.9095 97 H 4.3414 8.0748 114.0879 56.0492 29.3787 175.3057 98 K 3.7605 6.9986 114.2132 57.4044 29.2601 176.4480 99 I 4.2371 7.8305 119.2981 58.8123 38.5058 175.0699 100 P 4.4489 0.0000 0.0000 62.1506 32.1221 177.5171 101 I 3.3840 8.4220 122.0843 64.6164 36.8936 178.5207 102 K 3.6912 7.8893 119.6786 59.6541 31.9566 178.0308 103 Y 4.1396 8.0153 116.4029 60.1920 37.7678 177.8927 104 L 4.2004 7.9498 120.5433 57.3483 41.6834 178.8300 105 E 3.9699 7.8836 119.1250 59.2102 29.6244 178.7038 106 F 4.4637 7.7948 117.8673 60.7963 38.9098 177.5847 107 I 3.8786 8.1877 118.1619 63.9674 37.7581 178.0639 108 S 4.1843 8.3759 116.4130 61.6269 62.5905 176.4401 109 E 4.0735 8.5756 121.1092 59.3602 29.2100 179.3137 110 A 4.0171 8.1754 120.9001 55.0331 18.3724 179.5979 111 I 3.6857 8.1274 118.7058 64.7858 37.2578 178.7050 112 I 3.8332 7.9325 120.4177 64.6454 36.9581 178.0290 113 H 4.1496 8.5379 119.2195 59.3498 29.6721 177.5423 114 V 3.5885 7.9937 120.0655 65.9324 31.3352 178.0228 115 L 3.7517 8.0189 119.0081 57.7693 41.0463 178.9644 116 H 4.4271 7.9584 117.5086 59.3817 29.9190 177.2610 117 S 4.1701 7.9171 116.0288 61.5075 62.7683 176.3691 118 R 4.0941 7.8391 119.0275 57.3984 31.1649 176.3985 119 H 5.0335 8.1190 116.0719 54.0037 29.9574 173.1093 120 P 4.2908 0.0000 0.0000 65.8503 31.6634 179.1936 121 G 3.7182 8.1520 106.3623 47.4400 0.0000 173.5659 122 D 5.0437 8.1106 118.1715 54.0057 41.5463 176.4014 123 F 4.9757 8.0193 120.9496 56.3374 39.6935 174.6866 124 G 3.8821 7.8997 107.9372 44.0719 0.0000 172.7453 125 A 4.0020 8.4008 120.8312 54.8190 18.2596 179.5210 126 D 4.1934 7.9750 117.2028 56.7960 39.3892 178.7166 127 A 3.9717 7.7674 121.9746 54.5311 18.3478 179.4300 128 Q 3.2200 7.9644 117.2817 58.7445 28.6476 179.2614 129 G 3.4805 8.3187 106.9691 47.5734 0.0000 175.6925 130 A 3.8484 7.9940 123.2024 55.1460 18.3304 179.4682 131 M 4.0026 8.4053 117.1328 58.5531 32.2219 177.8446 132 N 4.2939 8.5207 117.7580 56.7035 39.0418 176.9274 133 K 3.8541 8.1530 119.5826 59.4011 32.1278 179.1797 134 A 3.8180 8.1064 121.2732 55.1784 18.2406 179.7439 135 L 4.0865 8.2925 117.7293 57.7176 41.6853 179.5623 136 E 3.9886 8.5314 119.1361 59.2389 29.3468 179.0217 137 L 4.0217 8.2427 120.6598 57.9732 42.1086 178.6536 138 F 4.1406 8.3932 120.5983 61.6274 39.3378 177.4189 139 R 3.5874 8.3293 117.6454 58.8004 29.8111 178.8395 140 K 3.8122 8.4993 119.8595 59.8392 32.0600 178.6200 141 D 4.3708 8.2376 119.0386 57.2152 40.6484 178.8654 142 I 3.5393 7.6579 120.3417 64.1547 36.9371 178.2868 143 A 3.7022 8.2329 121.8456 54.9692 18.1334 179.5708 144 A 3.9852 7.9544 119.3838 55.1662 18.5045 180.0879 145 K 4.0024 7.8886 117.2424 59.6854 32.0505 179.0728 146 Y 4.0843 8.4930 117.4022 61.0964 37.8384 178.7562 147 K 3.9709 8.5860 120.8099 59.3462 32.0625 178.0018 148 E 3.9176 7.9643 118.6293 59.6246 29.6447 178.5453 149 L 4.4179 7.6545 114.9035 55.1434 41.9217 177.6806 150 G 3.7966 8.1166 107.3282 45.9598 0.0000 173.5751 151 Y 4.5760 8.1692 114.1367 57.3396 38.6783 176.8205 152 Q 4.1175 8.2760 123.1738 57.0164 29.5792 176.0827 153 G 4.1025 8.1593 110.5772 45.7470 0.0000 172.9715 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 4.11 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.28 3.94 0.00 0.71 0.60 0.58 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.77 4.51 0.00 4.03 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 4 E 8.84 4.28 0.00 2.07 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 2.50 2.39 0.00 5 G 8.12 3.65 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 0.00 0.00 0.00 6 E 8.25 3.93 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 7 W 8.25 4.44 0.00 3.56 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 8 Q 8.60 4.09 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 7.96 4.06 0.00 2.00 1.75 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.02 3.78 2.50 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 1.22 0.00 0.00 0.89 0.00 0.00 11 L 8.57 4.35 0.00 1.86 1.82 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.40 4.25 0.00 3.30 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.86 3.75 2.48 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 1.01 0.00 0.00 0.84 0.00 0.00 14 W 8.64 3.82 0.00 3.70 3.22 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 15 A 8.25 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 16 K 7.71 3.62 0.00 1.41 1.49 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.41 7.81 17 V 6.90 2.92 0.78 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 -0.08 0.00 0.00 0.08 0.00 0.00 18 E 6.99 3.92 0.00 1.71 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 2.19 2.02 0.00 19 A 7.33 4.13 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 20 D 7.87 4.72 0.00 2.64 2.52 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 21 V 7.79 3.50 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 7.97 4.07 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 23 G 8.45 3.55 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 24 H 8.23 4.17 0.00 3.28 3.23 0.00 5.82 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 25 G 8.34 3.55 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 26 Q 8.16 3.88 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 27 D 7.98 4.28 0.00 2.74 2.64 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 28 I 7.97 3.67 1.87 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 1.51 0.65 0.89 0.00 0.00 29 L 7.81 3.42 0.00 1.28 0.78 0.76 0.47 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 30 I 7.62 3.56 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.87 0.00 0.00 31 R 7.92 3.78 0.00 1.87 1.98 0.00 2.94 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 32 L 7.86 3.94 0.00 1.77 1.49 1.09 1.11 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 33 F 8.08 4.57 0.00 2.98 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 34 K 8.21 4.02 0.00 1.73 1.83 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.18 4.33 0.00 3.72 3.57 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 36 H 8.16 4.65 0.00 3.03 2.78 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.63 0.00 2.14 2.09 0.00 3.82 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 2.08 2.07 0.00 38 E 8.27 4.10 0.00 2.28 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 0.00 2.00 2.38 0.00 39 T 8.21 4.05 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 0.99 0.00 0.00 40 L 7.92 3.57 0.00 1.25 1.74 -0.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.75 4.02 0.00 2.07 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 0.00 2.38 2.45 0.00 42 K 8.02 4.45 0.00 2.00 1.73 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.95 7.81 43 F 8.19 4.62 0.00 3.15 2.87 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 44 D 8.60 4.35 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.90 3.55 0.00 1.46 0.89 0.00 2.97 0.00 0.00 2.78 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.39 0.00 46 F 8.13 5.07 0.00 2.86 2.64 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 47 K 7.66 4.14 0.00 1.88 2.22 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.40 7.81 48 H 8.09 4.39 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.77 4.30 0.00 1.62 1.59 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.46 4.51 0.00 1.65 1.81 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.48 7.81 51 T 7.45 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 52 E 8.68 3.89 0.00 2.04 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 2.35 2.35 0.00 53 A 7.97 3.98 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 54 E 8.18 3.95 0.00 2.11 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 2.36 2.35 0.00 55 M 8.19 4.16 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 56 K 8.23 4.02 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 A 7.60 4.44 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 58 S 7.47 4.32 0.00 3.94 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 59 E 8.84 4.02 0.00 2.14 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 2.40 2.45 0.00 60 D 8.16 4.42 0.00 2.92 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 61 L 8.11 3.47 0.00 1.39 1.61 -0.23 0.49 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 62 K 7.97 3.87 0.00 1.87 1.97 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.35 4.02 0.00 2.14 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.64 7.81 64 H 8.74 4.45 0.00 3.62 3.51 0.00 5.79 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 65 G 8.41 3.57 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 0.00 66 V 7.75 3.61 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 1.13 0.00 0.00 0.99 0.00 0.00 67 T 7.99 3.89 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 1.27 0.00 0.00 68 V 7.94 3.60 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 1.10 0.00 0.00 1.00 0.00 0.00 69 L 8.19 4.25 0.00 1.81 1.90 0.87 0.79 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 70 T 8.44 3.97 4.47 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 1.26 0.00 0.00 71 A 8.02 4.00 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 72 L 8.22 3.77 0.00 1.59 1.58 0.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 3.27 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 0.00 74 A 7.75 4.00 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 75 I 7.63 3.79 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.97 0.00 0.00 76 L 7.92 3.96 0.00 1.15 1.56 -0.19 0.86 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 77 K 7.80 4.01 0.00 1.65 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.82 3.99 0.00 1.81 1.79 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.78 7.81 79 K 8.32 2.00 0.00 1.21 0.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.63 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.71 7.81 80 G 7.85 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 81 H 7.48 4.56 0.00 3.15 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.36 5.24 0.00 3.29 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.56 3.93 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 84 A 7.95 4.05 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 85 E 8.11 4.15 0.00 2.26 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 2.40 2.46 0.00 86 L 8.23 4.11 0.00 1.72 1.66 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.07 3.76 0.00 1.98 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.66 7.81 88 P 0.00 4.41 0.00 2.32 2.30 0.00 3.79 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 2.09 2.03 0.00 89 L 7.54 3.97 0.00 1.80 1.87 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.12 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.21 3.80 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 92 S 8.26 4.02 0.00 3.86 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 93 H 8.62 4.25 0.00 3.48 3.56 0.00 5.81 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 94 A 8.11 2.94 -0.13 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 0.00 0.00 95 T 7.15 3.74 4.12 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 0.81 0.00 0.00 96 K 7.44 4.18 0.00 1.55 1.67 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.34 7.81 97 H 8.07 4.34 0.00 3.00 3.13 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.00 3.76 0.00 1.94 1.87 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 99 I 7.83 4.24 2.03 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 1.32 0.93 1.08 0.00 0.00 100 P 0.00 4.45 0.00 1.69 1.77 0.00 2.34 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 1.14 1.79 0.00 101 I 8.42 3.38 1.72 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.90 0.71 0.00 0.00 102 K 7.89 3.69 0.00 1.74 1.70 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 0.65 7.81 103 Y 8.02 4.14 0.00 3.07 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 0.00 104 L 7.95 4.20 0.00 1.82 1.80 0.62 0.64 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 0.00 105 E 7.88 3.97 0.00 1.95 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 2.44 2.42 0.00 106 F 7.79 4.46 0.00 3.23 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 0.00 107 I 8.19 3.88 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 1.10 0.00 0.00 108 S 8.38 4.18 0.00 4.17 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 0.00 109 E 8.58 4.07 0.00 2.29 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 0.00 2.66 2.61 0.00 110 A 8.18 4.02 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 0.00 111 I 8.13 3.69 2.09 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 1.61 0.73 1.06 0.00 0.00 112 I 7.93 3.83 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.90 1.18 0.00 0.00 113 H 8.54 4.15 0.00 3.33 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.99 3.59 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 0.96 0.00 0.00 0.95 0.00 0.00 115 L 8.02 3.75 0.00 0.95 0.47 0.81 0.72 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 0.00 116 H 7.96 4.43 0.00 3.50 3.56 0.00 5.95 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 0.00 117 S 7.92 4.17 0.00 3.96 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 0.00 118 R 7.84 4.09 0.00 1.46 1.49 0.00 2.71 0.00 0.00 2.62 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 119 H 8.12 5.03 0.00 3.18 3.18 0.00 5.62 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 0.00 120 P 0.00 4.29 0.00 2.19 2.21 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.15 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.11 5.04 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 0.00 123 F 8.02 4.98 0.00 3.01 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 0.00 124 G 7.90 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 0.00 125 A 8.40 4.00 1.26 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 0.00 0.00 126 D 7.97 4.19 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 0.00 127 A 7.77 3.97 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 0.00 128 Q 7.96 3.22 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 129 G 8.32 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 0.00 130 A 7.99 3.85 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 0.00 131 M 8.41 4.00 0.00 2.42 2.43 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.52 4.29 0.00 2.85 2.95 0.00 0.00 7.17 7.23 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 0.00 133 K 8.15 3.85 0.00 1.83 1.66 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.54 7.81 134 A 8.11 3.82 1.24 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 0.00 0.00 0.00 135 L 8.29 4.09 0.00 1.73 1.78 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 3.99 0.00 2.22 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 2.34 2.54 0.00 137 L 8.24 4.02 0.00 1.86 1.97 1.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.14 0.00 3.02 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 0.00 139 R 8.33 3.59 0.00 2.03 1.87 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 140 K 8.50 3.81 0.00 1.79 1.98 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 141 D 8.24 4.37 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.66 3.54 1.33 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.20 0.41 0.00 0.00 143 A 8.23 3.70 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 0.00 144 A 7.95 3.99 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 0.00 145 K 7.89 4.00 0.00 1.99 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 146 Y 8.49 4.08 0.00 3.09 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 0.00 147 K 8.59 3.97 0.00 2.07 1.99 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.96 3.92 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 149 L 7.65 4.42 0.00 1.98 1.95 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.12 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.17 4.58 0.00 2.64 2.81 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 0.00 152 Q 8.28 4.12 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 153 G 8.16 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