NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3904 8.3344 115.4117 57.8997 64.2527 173.8740 2 M 4.0977 8.3216 121.5137 56.0928 29.5986 173.8986 3 Q 4.1503 8.3365 122.3923 56.5079 30.7242 175.1566 4 D 4.5715 7.6627 115.7362 50.8120 42.7046 173.2571 5 P 4.3830 0.0000 0.0000 65.7262 31.6303 177.9539 6 I 3.6705 7.8990 118.9177 64.2319 36.9385 177.5008 7 A 3.9183 8.4209 121.1312 55.5098 18.0846 178.7870 8 D 4.7968 7.5210 116.1042 57.0897 41.1914 178.3211 9 M 4.0930 7.8063 117.7540 58.7145 32.2115 178.0845 10 L 3.9166 7.8028 118.5285 57.9281 42.0289 179.3115 11 T 3.7851 8.6153 110.7049 65.0539 68.5787 176.1654 12 R 3.9204 8.6814 122.5710 59.2450 30.1544 178.5950 13 I 3.6673 7.8351 119.4076 64.2324 37.1587 178.2668 14 R 3.9014 8.1042 116.4768 59.8767 28.8851 178.5136 15 N 4.4406 8.0937 116.0187 55.8185 38.8122 177.3078 16 G 3.7815 8.0591 107.0127 48.1423 0.0000 175.4652 17 Q 4.0229 8.1857 121.1260 58.6589 28.5197 179.4196 18 A 4.2334 7.8998 119.6333 53.8984 18.3315 178.3996 19 A 4.4517 8.4834 118.1844 51.2462 19.0510 177.5985 20 N 4.4404 7.7757 112.3430 53.8106 37.1100 174.7329 21 K 3.9270 7.6888 117.1780 56.4529 32.3275 176.2698 22 A 3.9148 8.4010 125.9406 55.1169 19.1469 178.4134 23 A 5.2458 7.3495 120.4232 51.0368 22.5303 174.6101 24 V 4.6320 7.8804 110.4477 61.4375 35.0822 173.2840 25 T 5.9399 8.5622 111.2852 59.0687 72.0869 172.5346 26 M 4.2951 8.0829 119.0763 54.2114 33.1089 173.6058 27 P 5.3784 0.0000 0.0000 62.4152 30.8667 175.8222 28 S 4.4822 8.5422 121.7527 58.9713 64.0960 172.8434 29 S 4.4860 8.5168 112.5060 56.4192 64.0088 176.1290 30 K 3.6526 7.5790 116.4981 60.6403 31.5408 178.4908 31 L 3.8619 7.8628 119.5479 58.5163 42.5077 179.2924 32 K 3.7626 7.5114 116.9155 59.7843 31.9706 179.0486 33 V 3.3003 7.9390 117.5167 65.9573 31.3204 177.5211 34 A 3.9242 7.5617 119.1401 55.5345 18.4137 179.3766 35 I 3.6974 8.1850 117.9120 64.4860 37.2199 178.4328 36 A 3.7858 7.5689 121.5401 55.1733 18.0729 179.0631 37 N 4.1176 7.9083 115.7262 56.7804 38.6520 177.2957 38 V 3.6481 7.3720 119.0219 65.9376 31.9669 177.8600 39 L 4.3385 7.7517 118.1371 57.2179 41.5701 179.1705 40 K 4.0881 8.0731 120.0003 59.4306 32.1868 178.2966 41 E 4.2953 8.5071 114.8762 57.2595 29.1558 176.8664 42 E 4.3832 7.8971 118.4788 58.7942 31.7434 176.2627 43 G 3.9951 7.1656 107.6724 45.6817 0.0000 172.6920 44 F 4.9683 7.8904 118.4969 57.8818 45.1712 174.8021 45 I 4.8860 7.5087 112.0485 58.7388 40.5481 174.5225 46 E 4.1407 8.6588 122.6836 58.9187 29.8860 176.5099 47 D 4.6761 7.7245 114.4935 54.8675 46.2651 173.8174 48 F 5.7848 8.3857 111.2924 57.0520 40.5578 173.2338 49 K 4.4913 8.6623 119.6294 55.3956 35.8177 174.9145 50 V 4.6848 8.2887 124.8892 59.4927 32.4737 174.8481 51 E 4.2590 8.7292 128.4522 55.7094 32.0229 174.5396 52 G 4.8196 8.6099 108.8923 45.9462 0.0000 172.2952 53 D 4.7096 8.3963 117.8362 55.8722 42.7038 177.9816 54 T 4.0612 7.7787 112.2925 63.0619 68.1742 174.4387 55 K 4.4711 7.7360 121.2417 53.3796 33.2778 173.3063 56 P 4.7567 0.0000 0.0000 62.9946 32.1867 175.1851 57 E 5.2892 8.6833 123.8676 54.7915 33.9210 174.0283 58 L 4.6207 8.0824 120.7232 54.0113 44.6398 175.3987 59 E 4.3228 9.3125 133.7702 55.5841 27.6054 178.4659 60 L 4.6984 8.0845 123.8711 54.9280 41.4954 174.8462 61 T 4.2214 8.7141 112.8887 61.1778 69.8208 174.3098 62 L 4.4481 8.2497 126.1817 54.4758 42.3774 176.5854 63 K 4.8391 8.4915 123.0755 55.2121 34.5833 174.3934 64 Y 5.0944 8.6292 120.9575 56.5217 43.1557 176.6402 65 F 5.3848 8.3310 124.0584 58.6938 39.8992 178.1783 66 Q 4.4096 8.2300 124.4261 55.3105 27.3639 178.0932 67 G 3.8976 8.5320 111.4714 45.2663 0.0000 172.0318 68 K 4.2072 7.2694 117.3613 55.7785 35.2158 173.3473 69 A 4.6506 8.5386 125.7242 50.9382 19.1331 176.8609 70 V 3.4273 7.0878 119.1456 64.6716 31.7685 175.7321 71 V 3.6417 7.9736 130.2929 63.6579 31.4119 175.6776 72 E 4.3844 8.5123 124.7026 56.5740 30.7830 176.2037 73 S 4.3597 7.5348 113.9326 57.7407 65.3936 173.4252 74 I 4.6469 8.2464 128.4692 60.0508 40.3134 173.5461 75 Q 4.6736 8.4832 127.2278 53.7826 33.4850 174.7463 76 R 4.0443 8.3226 120.7448 56.4608 31.0177 174.4924 77 V 3.9825 8.0421 118.6697 64.2033 34.1008 176.5808 78 S 4.4781 7.5831 116.3480 57.4614 62.3397 174.7797 79 R 3.8963 7.8542 115.6000 55.0746 29.6495 174.0330 80 P 4.3290 0.0000 0.0000 63.0426 31.9735 176.3797 81 G 4.0447 8.5309 103.6095 45.6994 0.0000 173.3498 82 L 4.5933 7.1267 115.9199 54.0418 44.6106 174.9815 83 R 4.0086 8.2355 117.2509 56.6180 31.1522 176.6484 84 I 4.5714 8.0914 122.0399 59.7562 40.1629 174.0005 85 Y 4.6638 8.8922 124.5759 56.0768 40.3673 175.3319 86 K 4.8096 8.6062 122.2262 54.5492 36.8811 176.2578 87 R 4.6486 8.3445 120.8322 54.7946 31.2925 177.7252 88 K 3.8194 8.6386 117.6431 60.7297 32.1135 178.1470 89 D 4.6969 8.0121 116.5933 53.2744 39.4899 176.1046 90 E 4.6398 8.1861 118.7801 56.2626 30.0082 175.3519 91 L 4.4380 7.4214 119.9730 52.7079 42.5758 175.2265 92 P 4.4639 0.0000 0.0000 62.5851 32.0132 176.4465 93 K 4.2545 7.7683 119.0167 53.2039 32.1537 173.7418 94 V 3.0867 7.8931 121.8657 64.2851 32.4171 175.7648 95 M 3.0249 9.3907 127.4839 58.0405 30.3657 176.0704 96 A 3.9827 9.0567 113.2781 53.4588 16.8838 177.0972 97 G 4.2325 8.4692 110.4233 47.8777 0.0000 177.1191 98 L 3.6427 7.9465 119.1723 56.8131 41.8473 177.0523 99 G 4.3289 7.2210 106.6008 43.8510 0.0000 172.0046 100 I 4.9123 7.9018 110.7448 59.3495 41.9652 174.4386 101 A 5.3109 9.6336 124.5590 48.7622 21.4370 175.5864 102 V 4.0376 8.4346 122.3847 64.1281 32.6620 174.9570 103 V 4.5892 8.5757 127.9573 61.0893 34.9670 174.4904 104 S 4.7956 9.4485 123.6303 57.6768 62.4783 173.2936 105 T 4.5998 8.3276 118.3157 59.8068 71.2210 175.6786 106 S 4.3038 8.7837 115.3203 59.9415 62.6248 174.4737 107 K 4.2801 8.8901 118.7735 56.3530 33.1165 176.6917 108 G 4.0596 6.8336 107.0170 45.1944 0.0000 172.7007 109 V 4.4795 7.7302 119.8442 62.9437 29.4870 175.7178 110 M 4.5013 8.2997 124.8547 54.0109 34.7113 175.3904 111 T 5.0412 7.9873 108.7833 60.3833 73.1247 173.2915 112 D 4.2611 8.3355 119.9607 57.5172 38.9931 179.1211 113 R 3.8544 7.9828 119.2388 59.2810 30.2729 177.5561 114 A 3.9490 8.2130 118.9393 54.7619 18.0499 178.8553 115 A 3.9342 8.1665 116.9855 54.7110 18.7376 179.8188 116 R 3.7969 7.8286 115.6487 60.0464 30.2454 178.5370 117 Q 4.1104 8.2200 116.1709 58.8291 28.7266 178.4535 118 A 4.1273 7.8319 121.2041 52.7833 19.5646 177.2229 119 G 3.6990 9.5480 104.5833 44.7123 0.0000 173.0229 120 L 4.3634 7.1136 114.6560 54.8252 43.2105 175.5138 121 G 3.9922 8.3475 110.2349 44.5788 0.0000 172.6761 122 G 4.0840 7.7319 103.8312 45.1045 0.0000 173.3286 123 E 4.1647 8.0083 123.4793 55.5030 30.5451 177.0350 124 I 4.0979 8.1230 127.7949 62.0488 37.8609 174.9448 125 I 4.6658 7.7696 119.6289 62.7703 43.9630 175.2904 126 C 4.6001 7.4073 113.9977 57.3305 32.0426 173.3546 127 Y 5.5479 7.6797 115.0198 56.4151 36.5772 178.6576 128 V 3.7211 7.6648 119.7121 63.2835 31.8500 176.6906 129 A 4.2531 8.5565 129.1977 52.0515 18.4881 177.2506 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 S 8.33 4.39 0.00 3.99 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 2 M 8.32 4.10 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 3 Q 8.34 4.15 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 4 D 7.66 4.57 0.00 2.54 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 0.00 0.00 0.00 0.00 5 P 0.00 4.38 0.00 2.28 2.27 0.00 3.75 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 2.05 2.03 0.00 6 I 7.90 3.67 1.94 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 1.53 1.29 0.85 0.00 0.00 7 A 8.42 3.92 1.34 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 0.00 0.00 0.00 8 D 7.52 4.80 0.00 2.75 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 9 M 7.81 4.09 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 10 L 7.80 3.92 0.00 1.82 1.63 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.62 3.79 4.22 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 1.20 0.00 0.00 12 R 8.68 3.92 0.00 1.99 2.04 0.00 3.30 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 1.81 1.89 0.00 13 I 7.84 3.67 1.99 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 1.56 1.17 0.86 0.00 0.00 14 R 8.10 3.90 0.00 2.02 2.17 0.00 2.76 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 15 N 8.09 4.44 0.00 2.95 2.93 0.00 0.00 7.04 6.96 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 16 G 8.06 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 0.00 0.00 0.00 17 Q 8.19 4.02 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 18 A 7.90 4.23 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 19 A 8.48 4.45 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 20 N 7.78 4.44 0.00 2.94 2.87 0.00 0.00 6.92 7.49 0.00 0.00 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 K 7.69 3.93 0.00 1.86 1.97 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.58 7.81 22 A 8.40 3.91 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 23 A 7.35 5.25 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 24 V 7.88 4.63 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 0.77 0.00 0.00 0.95 0.00 0.00 25 T 8.56 5.94 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 26 M 8.08 4.30 0.00 2.03 2.06 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 2.32 2.34 0.00 27 P 0.00 5.38 0.00 2.10 2.16 0.00 3.39 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 28 S 8.54 4.48 0.00 3.92 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.52 4.49 0.00 3.96 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 30 K 7.58 3.65 0.00 1.82 1.80 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.55 7.81 31 L 7.86 3.86 0.00 1.73 1.64 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.51 3.76 0.00 2.11 1.85 0.00 1.87 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.47 7.81 33 V 7.94 3.30 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 1.18 0.00 0.00 1.03 0.00 0.00 34 A 7.56 3.92 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 35 I 8.18 3.70 1.93 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 1.39 0.64 0.83 0.00 0.00 36 A 7.57 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.91 4.12 0.00 2.60 2.95 0.00 0.00 6.86 7.33 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 38 V 7.37 3.65 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 0.92 0.00 0.00 1.03 0.00 0.00 39 L 7.75 4.34 0.00 1.84 1.79 0.85 0.51 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 40 K 8.07 4.09 0.00 2.12 2.18 0.00 1.72 0.00 0.00 2.06 0.00 0.00 3.34 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.64 7.81 41 E 8.51 4.30 0.00 1.97 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 2.41 2.73 0.00 42 E 7.90 4.38 0.00 2.27 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 2.36 2.47 0.00 43 G 7.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.89 4.97 0.00 3.16 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 45 I 7.51 4.89 2.21 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.96 0.00 0.00 46 E 8.66 4.14 0.00 2.10 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 2.58 2.53 0.00 47 D 7.72 4.68 0.00 2.81 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 0.00 0.00 0.00 0.00 48 F 8.39 5.78 0.00 3.07 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 49 K 8.66 4.49 0.00 1.76 1.78 0.00 1.42 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.50 7.81 50 V 8.29 4.68 2.18 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 1.01 0.00 0.00 0.97 0.00 0.00 51 E 8.73 4.26 0.00 2.46 1.90 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 2.36 2.32 0.00 52 G 8.61 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.40 4.71 0.00 2.66 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 54 T 7.78 4.06 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 1.22 0.00 0.00 55 K 7.74 4.47 0.00 1.80 1.72 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.33 7.81 56 P 0.00 4.76 0.00 2.24 2.20 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 57 E 8.68 5.29 0.00 2.11 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 0.00 2.20 2.27 0.00 58 L 8.08 4.62 0.00 1.92 1.53 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.31 4.32 0.00 1.98 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 2.31 2.32 0.00 60 L 8.08 4.70 0.00 1.79 1.62 0.99 1.19 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 61 T 8.71 4.22 4.32 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 1.27 0.00 0.00 62 L 8.25 4.45 0.00 1.96 1.52 1.05 0.91 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 63 K 8.49 4.84 0.00 1.77 1.82 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 64 Y 8.63 5.09 0.00 2.94 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.33 5.38 0.00 2.85 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 0.00 0.00 0.00 0.00 66 Q 8.23 4.41 0.00 1.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 1.93 1.16 0.00 67 G 8.53 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 68 K 7.27 4.21 0.00 1.86 1.71 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.43 7.81 69 A 8.54 4.65 1.13 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 70 V 7.09 3.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 71 V 7.97 3.64 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 0.73 0.00 0.00 0.96 0.00 0.00 72 E 8.51 4.38 0.00 2.13 2.08 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 2.22 2.24 0.00 73 S 7.53 4.36 0.00 3.89 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 74 I 8.25 4.65 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.83 0.00 0.00 75 Q 8.48 4.67 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 76 R 8.32 4.04 0.00 1.72 1.73 0.00 3.25 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 77 V 8.04 3.98 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.16 0.00 0.00 78 S 7.58 4.48 0.00 3.72 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 79 R 7.85 3.90 0.00 1.85 1.89 0.00 3.07 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 80 P 0.00 4.33 0.00 2.22 2.22 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 81 G 8.53 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.13 4.59 0.00 1.50 1.54 0.89 0.91 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 83 R 8.24 4.01 0.00 2.07 1.90 0.00 3.27 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 84 I 8.09 4.57 1.75 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 1.20 1.41 0.90 0.00 0.00 85 Y 8.89 4.66 0.00 2.76 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 86 K 8.61 4.81 0.00 1.69 1.85 0.00 1.71 0.00 0.00 1.96 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.46 7.81 87 R 8.34 4.65 0.00 2.03 1.88 0.00 3.16 0.00 0.00 3.69 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 88 K 8.64 3.82 0.00 1.93 2.09 0.00 1.51 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.46 7.81 89 D 8.01 4.70 0.00 2.79 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.19 4.64 0.00 2.05 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 2.25 2.25 0.00 91 L 7.42 4.44 0.00 1.60 1.59 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.46 0.00 1.86 2.08 0.00 3.73 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 1.92 2.12 0.00 93 K 7.77 4.25 0.00 1.62 1.64 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.33 7.81 94 V 7.89 3.09 1.90 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 0.95 0.00 0.00 0.52 0.00 0.00 95 M 9.39 3.02 0.00 2.28 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 96 A 9.06 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.47 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 0.00 0.00 0.00 0.00 98 L 7.95 3.64 0.00 1.71 1.76 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.22 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 0.00 0.00 0.00 0.00 100 I 7.90 4.91 1.93 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 1.52 1.07 1.07 0.00 0.00 101 A 9.63 5.31 1.21 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 0.00 0.00 0.00 102 V 8.43 4.04 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 0.89 0.00 0.00 0.89 0.00 0.00 103 V 8.58 4.59 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 0.97 0.00 0.00 0.99 0.00 0.00 104 S 9.45 4.80 0.00 3.88 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 0.00 105 T 8.33 4.60 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 106 S 8.78 4.30 0.00 3.87 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 0.00 107 K 8.89 4.28 0.00 1.73 1.84 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 108 G 6.83 4.06 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 0.00 0.00 0.00 109 V 7.73 4.48 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 0.80 0.00 0.00 0.91 0.00 0.00 110 M 8.30 4.50 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.48 0.00 111 T 7.99 5.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 112 D 8.34 4.26 0.00 2.88 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 0.00 113 R 7.98 3.85 0.00 1.85 1.98 0.00 3.35 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 114 A 8.21 3.95 1.34 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 0.00 0.00 0.00 115 A 8.17 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.83 3.80 0.00 1.93 2.23 0.00 3.26 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 117 Q 8.22 4.11 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 118 A 7.83 4.13 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 0.00 119 G 9.55 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.11 4.36 0.00 1.73 1.61 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.35 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 0.00 0.00 0.00 122 G 7.73 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 0.00 123 E 8.01 4.16 0.00 1.54 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 2.05 1.67 0.00 124 I 8.12 4.10 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 1.01 0.00 0.00 125 I 7.77 4.67 2.02 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 1.20 0.47 0.84 0.00 0.00 126 C 7.41 4.60 0.00 2.93 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 0.00 127 Y 7.68 5.55 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 0.00 128 V 7.66 3.72 1.63 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 0.01 0.00 0.00 0.73 0.00 0.00 129 A 8.56 4.25 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