NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8387 8.3544 109.7181 45.0055 0.0000 173.7362 4 D 4.3100 8.1501 118.9535 52.8786 43.0292 175.6181 5 K 4.0058 9.3488 127.5530 59.3032 32.8129 178.7840 6 K 4.0174 8.1146 118.2476 58.5293 32.1071 179.3310 7 V 3.6423 8.0043 118.9299 66.1852 31.4355 177.9939 8 I 3.7069 7.6804 119.4640 64.6104 36.8857 178.5079 9 Q 3.9492 7.8786 118.8397 59.0976 28.5475 178.3980 10 H 4.1124 8.1608 117.1707 58.8907 28.8289 177.6192 11 L 4.0088 8.5440 121.0304 58.2535 41.4769 179.5866 12 N 4.5555 8.5068 116.3516 55.8884 38.4545 177.5508 13 K 3.9313 7.9987 121.3262 59.3546 32.3015 178.8519 14 I 3.6635 8.2195 120.4857 64.4606 37.0419 177.8220 15 L 4.0111 8.4737 121.5114 58.4493 41.6427 179.3260 16 G 3.6020 8.2061 105.3865 47.8293 0.0000 175.4745 17 N 4.3529 8.0280 118.6205 56.0846 38.5807 177.2488 18 E 3.9447 8.3135 120.0476 59.6022 29.4665 179.5164 19 L 4.0551 8.0919 118.8677 57.6449 41.5644 179.7657 20 I 3.6366 7.5005 119.7090 64.2120 37.0271 178.1075 21 A 3.2678 7.7538 121.4511 55.4939 18.0535 179.0377 22 I 3.5826 7.9419 117.7582 65.5712 37.1892 178.0878 23 N 4.3334 8.1361 116.5330 56.3226 38.5332 177.4247 24 Q 3.8564 8.3396 121.2931 59.5870 29.1482 178.0775 25 Y 4.7426 8.3978 119.4862 60.5854 37.8481 178.4245 26 F 4.0016 8.6749 122.0628 61.0474 39.5263 177.0535 27 L 3.9728 8.2135 120.0613 58.4509 41.8611 178.4628 28 H 3.7919 8.1773 116.2017 58.7859 28.6032 177.5019 29 S 4.3104 8.2474 114.8249 61.8299 62.2082 176.6728 30 R 3.8629 7.8847 120.3422 59.1220 29.6805 179.0706 31 M 3.4733 8.1331 119.2198 57.8314 31.7202 178.7219 32 W 4.4953 8.0752 119.4923 59.8645 29.3144 178.3649 33 N 4.3689 8.3807 116.5190 56.3791 37.7694 176.8748 34 D 4.3532 7.9356 118.4482 56.9618 41.3435 177.6588 35 W 4.8809 7.8555 116.9411 56.8974 29.4780 177.1708 36 G 3.9838 8.1918 107.7387 45.8966 0.0000 174.1510 37 L 4.8218 8.1013 122.2108 53.3868 40.2249 177.5484 38 K 4.0380 8.4862 121.4729 58.9068 32.4618 179.0531 39 R 3.8779 7.8981 119.1812 59.2219 30.0030 178.5517 40 L 3.8508 7.7545 118.5316 57.4526 41.5742 179.2289 41 G 3.9108 8.3519 105.7737 48.0028 0.0000 175.4642 42 A 3.9787 8.2820 123.8051 55.0734 18.4781 179.1398 43 H 3.9518 8.2469 116.8037 59.4385 29.7831 177.1035 44 E 3.9873 8.4634 121.1548 59.1360 29.4398 177.9663 45 Y 4.1205 8.0170 119.7537 61.2058 38.8417 178.0694 46 H 4.0830 8.2236 116.9264 58.7769 28.8430 177.6749 47 E 3.8974 8.1505 120.5192 59.2470 29.2130 179.3575 48 S 4.2848 8.3997 113.5787 61.5310 62.5738 176.1171 49 I 3.5982 7.8596 122.8964 64.6719 36.8007 178.1845 50 D 4.3045 8.1372 119.4856 57.2734 40.5674 178.7243 51 E 4.1825 8.2031 119.0510 59.4833 29.4451 179.0848 52 M 4.0479 8.0037 118.8533 58.3695 31.9490 178.9820 53 K 3.9536 7.8374 118.3752 59.7311 32.2271 179.0057 54 H 4.1993 8.0399 116.2539 58.9822 28.6685 177.5590 55 A 4.0084 8.4928 122.8146 55.2370 18.1549 179.2416 56 D 4.2560 8.0928 116.4079 57.5390 41.3904 178.6769 57 K 4.0537 8.3275 119.0989 59.1983 31.8811 179.4978 58 L 3.9796 8.1180 119.4883 57.8574 41.5416 179.2757 59 I 3.7149 7.8116 119.7176 64.6324 37.0752 178.3562 60 E 3.9777 8.2255 119.2015 59.2475 29.2523 179.3386 61 R 4.0013 7.9757 118.6365 59.6804 30.1636 178.4567 62 I 3.7202 8.1269 119.9205 64.6164 37.0904 178.4641 63 L 4.0009 8.2657 119.8423 57.6451 41.1981 179.2912 64 F 4.2875 8.2101 119.8824 61.1972 39.4903 176.5599 65 L 3.8561 7.8941 115.4557 54.5622 41.5051 176.7030 66 E 3.7212 7.8123 117.6840 57.4535 27.1707 174.4753 67 G 3.9634 7.9636 108.6783 44.0026 0.0000 173.5440 68 L 4.5596 8.0122 119.1018 51.9835 42.4822 175.0391 69 P 4.3596 0.0000 0.0000 62.4278 31.7815 176.0154 70 N 4.6630 9.2661 122.6402 52.5431 38.4797 174.0284 71 L 4.6048 8.3288 124.3403 54.5677 42.3700 177.3555 72 Q 4.1197 8.2902 121.9170 58.0806 29.4367 175.8785 73 D 4.4591 8.2286 118.0790 53.5792 41.0143 175.1738 74 L 4.5328 8.3200 126.7779 52.7712 43.5636 176.7477 75 G 3.7892 8.3316 116.2503 44.8202 0.0000 171.3331 76 K 4.1492 8.3677 121.2133 55.4665 32.3921 177.1998 77 L 4.0807 8.4053 126.9734 54.6271 42.1726 177.0685 78 L 4.4513 8.8128 124.2024 53.2713 41.1671 175.2887 79 I 4.3117 8.0780 124.2971 59.5234 38.0692 176.6483 80 G 4.0115 8.6488 114.9475 44.8204 0.0000 172.6900 81 E 4.6802 8.6647 115.5084 56.0078 30.5729 175.4739 82 N 5.0625 7.6534 116.9529 50.7529 41.8842 174.9596 83 T 4.4603 8.5642 116.0948 67.1877 68.5981 176.3846 84 Q 3.9830 8.2057 120.7813 59.5001 29.0507 178.2070 85 E 4.0935 8.8129 119.4712 59.3447 29.4383 179.2472 86 M 3.9598 8.6248 119.4353 58.3323 31.9762 178.7020 87 L 4.1768 8.4037 119.3086 57.8852 41.7594 179.3397 88 Q 3.9880 8.0997 119.3300 59.4727 28.9796 178.1409 89 C 4.2159 8.5826 118.1071 63.0554 28.1497 175.9065 90 D 4.6696 8.3451 120.5200 57.2207 40.3233 178.6313 91 L 3.9631 8.1364 120.9285 58.2453 42.1676 178.5795 92 N 4.3200 8.5416 116.8748 56.2994 38.5049 176.9755 93 L 3.9654 8.1532 121.4734 58.4590 42.2512 178.9014 94 E 4.0830 8.4798 118.4250 59.4901 29.4397 179.4798 95 L 4.0508 8.4243 119.5167 57.4506 41.6761 179.3627 96 K 3.9245 8.1929 119.4758 59.4715 32.1533 178.6861 97 A 4.0264 8.1562 121.0013 55.5775 18.3120 179.7606 98 T 3.8409 8.0182 114.2606 66.4263 68.6096 176.7989 99 K 3.9049 7.9283 121.0516 59.8552 32.3276 178.7380 100 D 4.4539 8.1946 118.8590 57.0443 40.5384 178.9166 101 L 4.0015 8.1208 119.9362 57.7394 41.5617 179.4453 102 R 3.9198 7.9875 118.0083 59.5221 30.1770 179.0042 103 E 3.9415 8.1409 117.5751 59.2411 29.3218 179.2863 104 A 3.6100 8.1158 120.8740 55.0070 18.3782 179.7275 105 I 3.6053 7.9749 118.5274 64.4797 37.3273 178.5058 106 V 3.5629 8.0036 119.4370 66.6111 31.2596 177.6290 107 H 4.1345 8.0666 117.2317 59.2441 29.7060 176.8423 108 C 3.9785 8.2952 118.9152 62.7352 27.9905 175.4917 109 E 3.8815 8.2372 120.8093 59.6321 28.9891 178.7633 110 Q 3.9353 7.6698 117.4412 58.6513 29.1402 177.6652 111 V 3.9009 7.2579 110.3201 60.7147 31.8356 175.8003 112 H 3.1653 7.3965 114.6077 57.0348 26.6418 176.2996 113 D 4.5657 7.3735 120.7860 53.3617 38.1697 175.8508 114 Y 4.3181 7.4333 121.2954 60.3655 38.4302 177.7593 115 V 3.7051 7.8412 119.1716 65.9849 31.8081 178.0657 116 S 4.1753 8.5389 115.0016 61.4689 62.6448 176.4539 117 R 3.9108 8.1505 121.4602 59.5988 29.7738 178.1062 118 D 4.3062 8.2134 117.6459 57.1140 41.2790 177.5127 119 L 3.9426 7.9163 120.9492 58.5875 42.0117 179.0786 120 L 4.0149 8.0287 118.4723 57.7314 41.4524 179.5567 121 K 3.9960 8.2117 119.6255 59.2896 32.0821 178.6501 122 D 4.3476 8.2764 119.3781 57.5146 40.7630 178.6346 123 I 3.4890 7.7301 120.1741 64.3780 37.0049 178.2357 124 L 3.9608 7.9912 121.0202 58.1413 41.9415 178.6343 125 E 3.9566 8.4550 119.5094 59.2423 29.5323 178.7780 126 S 4.3170 8.1372 113.3352 61.4386 62.4905 175.9972 127 E 4.0889 8.6610 121.7790 59.5063 29.2253 179.1313 128 E 4.0378 8.6421 119.0398 59.5272 29.4688 179.3093 129 E 4.0619 8.4703 118.6919 59.6143 29.4532 178.7917 130 H 4.3428 8.2903 118.3754 59.3842 29.7993 177.4440 131 I 3.7219 7.9622 121.7248 64.1915 36.9335 177.7323 132 D 4.3302 8.2267 118.9281 57.6007 41.0828 177.6870 133 Y 4.0686 8.2359 119.8666 60.7128 38.7753 178.1487 134 L 3.8392 8.2471 119.8066 57.9120 41.7316 179.3247 135 E 3.9230 8.3730 118.6915 59.7139 29.3514 179.5814 136 T 3.7598 7.9091 115.6708 66.7060 68.5126 176.7288 137 Q 3.7683 7.8010 119.8342 58.7854 28.4625 178.7893 138 L 3.8752 7.7438 120.1527 57.6404 41.6577 179.7006 139 G 3.6066 8.6220 106.0633 47.9325 0.0000 175.7260 140 L 4.0520 7.8349 121.2108 57.3961 41.7316 179.4789 141 I 3.5901 7.4037 119.8976 64.2570 36.6786 178.5383 142 Q 3.9207 7.4183 117.8718 59.0229 28.7088 178.5977 143 K 4.1327 7.8890 118.0236 58.7957 32.2408 179.0035 144 V 4.1847 8.2903 110.1515 59.7568 32.9858 176.7455 145 G 4.1292 7.5920 105.5082 45.7945 0.0000 174.2162 146 L 3.9672 8.6098 122.6955 58.3377 41.9375 179.5627 147 E 3.9733 8.1267 117.7012 59.4338 29.4822 178.8780 148 N 4.3094 8.1352 116.0679 56.5360 38.4575 176.6702 149 Y 4.0412 7.9028 119.7293 60.5765 39.1591 177.7779 150 L 4.0179 8.2816 120.1247 57.7861 41.7121 178.9119 151 Q 3.9190 8.2003 119.6561 59.5462 28.7150 178.4863 152 S 4.3321 7.9557 113.1136 59.9848 63.2167 174.3791 153 H 4.6072 8.1375 118.7352 55.5996 29.8244 175.8382 154 M 4.3287 7.8750 121.1796 57.7908 31.9093 176.0629 155 H 5.1708 7.5366 113.8609 53.8036 30.8407 174.7207 156 E 4.1344 8.6863 121.5243 56.7762 29.3096 176.8301 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 3.84 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 0.00 0.00 0.00 4 D 8.15 4.31 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.35 4.01 0.00 1.84 1.77 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 6 K 8.11 4.02 0.00 2.00 1.57 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 7 V 8.00 3.64 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 1.09 0.00 0.00 1.03 0.00 0.00 8 I 7.68 3.71 2.00 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 1.51 0.60 0.90 0.00 0.00 9 Q 7.88 3.95 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 10 H 8.16 4.11 0.00 3.45 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.54 4.01 0.00 1.80 1.75 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.56 0.00 2.87 2.85 0.00 0.00 6.71 8.31 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 13 K 8.00 3.93 0.00 1.90 1.99 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.22 3.66 2.03 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 1.68 0.69 0.92 0.00 0.00 15 L 8.47 4.01 0.00 1.80 1.90 0.92 1.13 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 16 G 8.21 3.60 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 0.00 0.00 0.00 17 N 8.03 4.35 0.00 2.95 2.87 0.00 0.00 7.02 7.50 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 18 E 8.31 3.94 0.00 2.11 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 2.53 2.53 0.00 19 L 8.09 4.06 0.00 1.78 1.68 0.90 0.66 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 20 I 7.50 3.64 1.97 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 1.41 0.68 0.88 0.00 0.00 21 A 7.75 3.27 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 3.58 1.97 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 1.50 0.73 0.87 0.00 0.00 23 N 8.14 4.33 0.00 2.72 2.84 0.00 0.00 6.80 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.34 3.86 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 25 Y 8.40 4.74 0.00 3.06 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 26 F 8.67 4.00 0.00 3.26 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 27 L 8.21 3.97 0.00 1.83 1.59 0.87 0.87 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 28 H 8.18 3.79 0.00 3.47 2.86 0.00 5.70 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 29 S 8.25 4.31 0.00 3.98 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 30 R 7.88 3.86 0.00 1.94 1.86 0.00 2.94 0.00 0.00 2.56 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 31 M 8.13 3.47 0.00 0.74 1.53 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.12 0.00 32 W 8.08 4.50 0.00 3.65 3.32 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 33 N 8.38 4.37 0.00 2.86 2.84 0.00 0.00 6.64 7.61 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 34 D 7.94 4.35 0.00 2.55 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 35 W 7.86 4.88 0.00 3.75 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.19 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 37 L 8.10 4.82 0.00 2.10 1.61 1.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.49 4.04 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.90 3.88 0.00 2.02 1.91 0.00 3.15 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 L 7.75 3.85 0.00 1.32 0.30 0.27 0.27 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 41 G 8.35 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 0.00 0.00 0.00 42 A 8.28 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 43 H 8.25 3.95 0.00 3.27 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.46 3.99 0.00 2.56 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 45 Y 8.02 4.12 0.00 2.94 3.01 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 46 H 8.22 4.08 0.00 3.32 3.24 0.00 5.87 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 47 E 8.15 3.90 0.00 1.97 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 2.23 2.11 0.00 48 S 8.40 4.28 0.00 4.16 4.11 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 49 I 7.86 3.60 1.79 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.47 0.83 0.00 0.00 50 D 8.14 4.30 0.00 2.82 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 51 E 8.20 4.18 0.00 2.19 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 2.76 2.56 0.00 52 M 8.00 4.05 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 53 K 7.84 3.95 0.00 1.85 1.80 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.62 7.81 54 H 8.04 4.20 0.00 3.37 3.33 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 55 A 8.49 4.01 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 56 D 8.09 4.26 0.00 2.81 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 57 K 8.33 4.05 0.00 1.98 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 58 L 8.12 3.98 0.00 1.89 1.73 0.96 0.66 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 59 I 7.81 3.71 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 1.52 0.65 0.92 0.00 0.00 60 E 8.23 3.98 0.00 2.04 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 2.34 2.50 0.00 61 R 7.98 4.00 0.00 2.09 2.15 0.00 3.34 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.13 3.72 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 1.54 0.60 0.94 0.00 0.00 63 L 8.27 4.00 0.00 1.86 1.77 0.99 1.12 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 64 F 8.21 4.29 0.00 3.01 3.32 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 65 L 7.89 3.86 0.00 1.77 1.62 0.95 0.72 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 66 E 7.81 3.72 0.00 2.04 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 2.18 2.17 0.00 67 G 7.96 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 0.00 0.00 0.00 68 L 8.01 4.56 0.00 1.60 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.36 0.00 2.04 1.99 0.00 3.66 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 2.03 2.08 0.00 70 N 9.27 4.66 0.00 2.62 2.83 0.00 0.00 7.10 7.41 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 71 L 8.33 4.60 0.00 1.62 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.29 4.12 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.23 4.46 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.32 4.53 0.00 1.52 1.52 0.88 1.07 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 75 G 8.33 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 76 K 8.37 4.15 0.00 1.70 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.51 7.81 77 L 8.41 4.08 0.00 1.63 1.55 0.92 0.98 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 78 L 8.81 4.45 0.00 1.66 1.67 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.08 4.31 1.88 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 1.33 0.78 0.92 0.00 0.00 80 G 8.65 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 81 E 8.66 4.68 0.00 2.17 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 2.34 2.37 0.00 82 N 7.65 5.06 0.00 2.88 2.84 0.00 0.00 6.23 7.22 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 83 T 8.56 4.46 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 1.50 0.00 0.00 84 Q 8.21 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 85 E 8.81 4.09 0.00 2.22 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 2.35 2.65 0.00 86 M 8.62 3.96 0.00 1.43 2.35 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 1.93 0.00 87 L 8.40 4.18 0.00 1.89 1.76 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.10 3.99 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 89 C 8.58 4.22 0.00 3.26 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 90 D 8.35 4.67 0.00 3.02 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 91 L 8.14 3.96 0.00 1.87 1.88 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.54 4.32 0.00 2.91 2.90 0.00 0.00 6.71 6.28 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 93 L 8.15 3.97 0.00 1.94 1.95 0.92 0.73 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 94 E 8.48 4.08 0.00 2.23 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 0.00 2.69 2.53 0.00 95 L 8.42 4.05 0.00 1.69 1.73 0.94 0.44 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 96 K 8.19 3.92 0.00 1.90 1.97 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.16 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 98 T 8.02 3.84 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 1.23 0.00 0.00 99 K 7.93 3.90 0.00 2.07 1.95 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.36 7.81 100 D 8.19 4.45 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.12 4.00 0.00 1.95 1.72 0.92 0.82 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 0.00 102 R 7.99 3.92 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 103 E 8.14 3.94 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 2.34 2.59 0.00 104 A 8.12 3.61 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 0.00 105 I 7.97 3.61 2.08 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 1.42 0.64 0.93 0.00 0.00 106 V 8.00 3.56 2.22 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 1.00 0.00 0.00 1.01 0.00 0.00 107 H 8.07 4.13 0.00 3.29 3.33 0.00 5.85 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 0.00 108 C 8.30 3.98 0.00 3.12 3.13 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 0.00 109 E 8.24 3.88 0.00 2.20 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 2.37 2.45 0.00 110 Q 7.67 3.94 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 111 V 7.26 3.90 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 0.63 0.00 0.00 0.83 0.00 0.00 112 H 7.40 3.17 0.00 3.20 3.26 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.37 4.57 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.43 4.32 0.00 3.08 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 0.00 115 V 7.84 3.71 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.54 4.18 0.00 3.97 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 0.00 117 R 8.15 3.91 0.00 1.93 2.23 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 118 D 8.21 4.31 0.00 3.08 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.92 3.94 0.00 1.79 1.87 0.95 0.56 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 0.00 120 L 8.03 4.01 0.00 1.92 1.71 0.93 0.68 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 0.00 121 K 8.21 4.00 0.00 1.85 1.96 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 122 D 8.28 4.35 0.00 2.93 2.72 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 0.00 123 I 7.73 3.49 2.00 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 1.20 0.69 0.81 0.00 0.00 124 L 7.99 3.96 0.00 1.85 1.87 0.99 0.75 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 0.00 125 E 8.46 3.96 0.00 2.08 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 2.33 2.34 0.00 126 S 8.14 4.32 0.00 4.02 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 0.00 127 E 8.66 4.09 0.00 2.03 2.22 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 2.63 2.53 0.00 128 E 8.64 4.04 0.00 2.14 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 2.52 0.00 129 E 8.47 4.06 0.00 2.23 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 0.00 2.37 2.55 0.00 130 H 8.29 4.34 0.00 3.28 3.52 0.00 5.61 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 0.00 131 I 7.96 3.72 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.95 0.00 0.00 132 D 8.23 4.33 0.00 2.85 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 0.00 133 Y 8.24 4.07 0.00 3.16 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 0.00 134 L 8.25 3.84 0.00 2.00 1.68 1.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.37 3.92 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 136 T 7.91 3.76 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 1.16 0.00 0.00 137 Q 7.80 3.77 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.40 1.83 0.00 138 L 7.74 3.88 0.00 1.91 1.62 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.62 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.83 4.05 0.00 1.76 1.82 0.99 0.78 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 0.00 141 I 7.40 3.59 1.75 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.07 0.80 0.00 0.00 142 Q 7.42 3.92 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 143 K 7.89 4.13 0.00 1.73 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.73 7.81 144 V 8.29 4.18 2.12 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 0.78 0.00 0.00 1.13 0.00 0.00 145 G 7.59 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 0.00 0.00 0.00 146 L 8.61 3.97 0.00 1.76 1.70 0.95 0.94 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 0.00 147 E 8.13 3.97 0.00 2.06 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 2.39 2.40 0.00 148 N 8.14 4.31 0.00 3.16 2.89 0.00 0.00 6.75 7.48 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 0.00 149 Y 7.90 4.04 0.00 2.92 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 0.00 150 L 8.28 4.02 0.00 1.74 1.70 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.20 3.92 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 S 7.96 4.33 0.00 3.85 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 0.00 153 H 8.14 4.61 0.00 2.93 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.88 4.33 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.44 0.00 155 H 7.54 5.17 0.00 3.09 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.69 4.13 0.00 1.95 1.86 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 2.33 2.30 0.00