NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3706 8.3001 120.3269 54.7858 33.4286 174.4386 2 A 3.8905 8.2312 122.5764 52.5356 19.1014 174.9328 3 A 3.6902 8.2363 119.1178 53.1112 16.6156 176.6100 4 E 4.2598 7.9958 118.3779 55.7298 31.0294 175.0915 5 P 4.5477 0.0000 0.0000 62.8175 32.3676 176.2706 6 L 4.6581 8.8680 121.3157 53.8708 44.1667 177.1290 7 T 4.1151 8.5551 115.7053 63.7802 70.2658 174.5806 8 E 3.8774 8.8421 123.9501 60.2205 29.5484 179.6276 9 L 4.0718 7.9098 117.9257 57.8710 41.7696 179.3483 10 E 4.0302 8.0784 118.1323 59.3664 29.5265 179.1014 11 E 4.0396 8.5231 118.9645 59.4128 29.4221 179.4876 12 S 4.1958 8.2606 115.5084 61.6348 62.9595 176.8616 13 I 4.0162 8.1267 115.8297 63.9787 37.3764 178.1722 14 E 4.0919 8.1882 120.1253 59.4383 29.3711 179.3165 15 T 3.9173 7.9350 115.5205 66.9474 68.5358 177.1615 16 V 3.7388 7.6707 114.3582 64.4605 31.4971 178.9003 17 V 4.0856 8.2476 118.1188 66.3724 31.4860 178.2839 18 T 4.0534 8.2434 115.6419 67.1107 67.8013 176.8747 19 T 4.3979 8.0713 118.7230 65.9389 68.5528 176.7770 20 F 4.2342 8.7911 123.2136 61.2801 39.2406 177.0818 21 F 3.5183 8.7068 120.0780 61.1289 39.3279 177.0087 22 T 3.9754 8.1716 109.3683 64.3343 68.4511 176.0659 23 F 4.1710 8.0679 118.4561 58.4226 39.2380 176.7557 24 A 4.2633 7.2833 119.5935 51.7123 18.2450 177.5675 25 R 4.5812 7.1165 114.2694 56.1653 30.0903 176.7141 26 Q 4.1698 8.5107 120.1036 58.8873 30.1753 175.5754 27 E 4.3117 9.3960 116.3307 55.9552 30.4664 176.5459 28 G 3.9237 8.1697 106.5384 46.3742 0.0000 171.7298 29 R 3.7088 7.8167 118.5598 56.2247 26.3434 176.4848 30 K 5.1175 7.6808 116.4548 55.5709 30.5738 175.9257 31 D 4.9671 7.1894 134.3702 54.6984 43.3110 176.1278 32 S 5.1625 8.1638 112.3436 56.3706 66.4321 173.8071 33 L 4.7594 9.0834 121.6769 53.3436 43.4526 176.9818 34 S 4.8710 9.8670 121.9406 57.2859 64.6218 175.6848 35 V 3.5977 8.6954 119.0526 66.7752 31.0625 177.3423 36 N 4.3712 8.2511 116.0868 56.6816 38.7470 176.6758 37 E 4.0919 8.2241 119.5522 59.4666 29.6031 178.9415 38 F 4.2701 8.8464 121.1117 61.2994 39.3999 177.1318 39 K 4.0635 8.3267 119.3600 59.3217 31.7843 178.4436 40 E 4.0028 8.6630 119.3776 58.9141 29.7844 178.4611 41 L 3.3218 7.7051 120.2954 57.9618 42.0584 179.3813 42 V 3.4767 7.0572 110.7518 64.3386 31.8560 178.3058 43 T 4.4338 7.9379 114.9183 62.9778 67.9633 174.1153 44 Q 4.6371 7.5905 125.4849 57.0508 36.5486 174.3461 45 Q 4.5820 8.1557 113.9029 55.3747 29.6546 176.8062 46 L 4.5563 7.5025 118.8105 53.5694 42.4422 173.6669 47 P 4.7575 0.0000 0.0000 62.8866 32.2320 175.1986 48 H 4.6817 7.9736 116.1181 58.2382 31.7758 174.7434 49 L 3.9189 8.1090 119.1574 57.2357 41.9986 176.8095 50 L 4.5856 7.6216 118.3505 52.8398 43.6985 176.7672 51 K 4.2668 8.3464 124.7914 54.8941 31.4434 173.9156 52 D 4.4607 7.9357 124.3653 54.2657 43.1482 174.9856 53 V 4.4069 8.4857 118.4193 60.8279 33.4688 176.4893 54 G 3.9314 8.2133 107.8334 46.0751 0.0000 174.2334 55 S 4.7807 8.4530 115.3880 56.9192 63.4964 174.9083 56 L 4.0762 7.7697 124.6570 58.0856 42.4460 177.3980 57 D 4.4639 8.1580 118.6556 56.1927 39.0496 177.9852 58 E 3.9153 7.6289 119.8981 58.8823 29.8389 178.5833 59 K 4.1862 8.1107 118.6138 59.1672 32.3372 178.7231 60 M 3.7601 8.0759 118.3714 58.6619 32.1132 177.8757 61 K 4.1936 8.1439 114.8877 57.8936 32.1924 177.6430 62 S 4.6867 7.9223 113.9149 58.2291 64.0764 174.5058 63 L 4.4661 7.6088 119.0798 55.7915 43.4220 176.6036 64 D 4.4092 8.2821 118.8936 54.2575 41.2666 176.1775 65 V 4.1426 8.3880 119.2522 61.5809 32.4140 176.0742 66 N 4.6772 8.7315 116.5200 51.5940 39.2975 174.2804 67 Q 3.4772 8.4318 118.8923 57.1301 26.5660 172.2463 68 D 4.7828 8.5764 113.3947 52.4842 40.7006 177.6762 69 S 3.8963 8.4073 114.1290 59.1537 60.0980 169.2626 70 E 4.9262 8.1763 119.3900 54.1946 31.9620 175.3088 71 L 4.1057 8.9649 126.3419 54.5325 42.6753 177.6942 72 K 4.5156 8.7126 124.0061 55.6462 33.6907 178.0025 73 F 4.2622 9.3881 122.3619 62.0239 38.7391 176.6126 74 N 4.1933 8.2183 114.4069 56.8675 38.9118 176.3012 75 E 4.1369 8.2192 119.5379 59.4708 29.5720 178.5918 76 Y 4.2230 8.9272 120.2440 60.4074 38.9213 177.6226 77 W 3.7141 8.2949 129.1710 60.0515 30.7547 178.0850 78 R 3.9775 7.6664 118.0696 58.9306 29.3026 178.6718 79 L 3.8815 7.6680 120.2710 58.2289 42.0932 179.0351 80 I 3.4493 7.2687 119.3509 64.0106 36.7415 178.4645 81 G 3.5678 7.8254 106.5050 48.0598 0.0000 175.7500 82 E 3.9885 7.9770 121.0467 58.5038 29.5003 179.5107 83 L 3.8681 7.9908 119.3960 57.8171 41.5154 179.4473 84 A 4.0456 7.8252 119.0632 54.6397 18.4888 179.1837 85 K 4.0647 7.6572 118.6463 59.3578 32.2866 178.4990 86 E 4.1794 8.4837 118.2931 58.0626 29.1397 178.1376 87 I 3.9021 7.1622 116.9647 61.9804 38.3172 176.2456 88 R 4.4178 7.7254 117.1422 56.7216 31.5042 176.7089 89 K 4.0751 8.6876 119.3508 56.5473 32.7871 178.8096 90 K 4.3251 7.7724 116.5167 56.5340 32.6286 177.7513 91 K 4.5509 8.4655 110.7026 54.5626 32.1480 175.2292 92 D 4.9800 7.9056 122.7039 52.9312 39.4543 173.9057 93 L 4.6753 7.5887 121.5880 55.4685 48.8195 174.6308 94 K 4.4889 7.2348 112.8014 56.2717 35.2122 175.6143 95 I 4.5487 7.4490 119.2621 59.7392 39.8179 174.1187 96 R 4.2814 7.9034 121.9089 53.3156 33.2379 180.7203 97 K 3.9133 7.8377 122.7244 56.0656 31.4079 176.0778 98 K 4.1602 8.3140 117.9551 57.9860 32.6348 175.8172 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 M 8.30 4.37 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 8.23 3.89 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 3 A 8.24 3.69 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 4 E 8.00 4.26 0.00 2.09 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 2.28 2.24 0.00 5 P 0.00 4.55 0.00 2.21 2.10 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 6 L 8.87 4.66 0.00 1.62 1.95 0.93 0.94 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 7 T 8.56 4.12 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 1.22 0.00 0.00 8 E 8.84 3.88 0.00 2.04 1.99 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 2.41 2.46 0.00 9 L 7.91 4.07 0.00 1.80 1.74 0.94 0.95 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 10 E 8.08 4.03 0.00 2.21 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 2.42 2.42 0.00 11 E 8.52 4.04 0.00 2.17 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 2.47 2.51 0.00 12 S 8.26 4.20 0.00 4.05 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 13 I 8.13 4.02 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.89 1.15 0.00 0.00 14 E 8.19 4.09 0.00 2.32 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 0.00 2.46 2.53 0.00 15 T 7.93 3.92 4.41 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 1.26 0.00 0.00 16 V 7.67 3.74 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 0.80 0.00 0.00 1.18 0.00 0.00 17 V 8.25 4.09 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 1.41 0.00 0.00 1.36 0.00 0.00 18 T 8.24 4.05 4.50 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 1.30 0.00 0.00 19 T 8.07 4.40 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 1.30 0.00 0.00 20 F 8.79 4.23 0.00 3.24 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 21 F 8.71 3.52 0.00 3.19 3.09 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 0.00 0.00 0.00 0.00 22 T 8.17 3.98 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 1.26 0.00 0.00 23 F 8.07 4.17 0.00 3.07 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 24 A 7.28 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.12 4.58 0.00 1.79 1.55 0.00 2.95 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.00 26 Q 8.51 4.17 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.44 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 27 E 9.40 4.31 0.00 1.91 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 2.26 2.24 0.00 28 G 8.17 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.82 3.71 0.00 2.03 1.98 0.00 3.22 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 30 K 7.68 5.12 0.00 1.09 1.43 0.00 1.33 0.00 0.00 2.21 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.36 7.81 31 D 7.19 4.97 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.16 5.16 0.00 3.93 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 33 L 9.08 4.76 0.00 1.77 1.93 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 S 9.87 4.87 0.00 3.91 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 35 V 8.70 3.60 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 1.17 0.00 0.00 0.95 0.00 0.00 36 N 8.25 4.37 0.00 2.89 3.06 0.00 0.00 7.36 9.00 0.00 0.00 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 E 8.22 4.09 0.00 2.35 2.27 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 2.42 2.41 0.00 38 F 8.85 4.27 0.00 3.26 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 39 K 8.33 4.06 0.00 2.06 1.97 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 40 E 8.66 4.00 0.00 2.27 2.39 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 2.59 2.42 0.00 41 L 7.71 3.32 0.00 1.52 1.48 0.67 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.06 3.48 1.95 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 0.55 0.00 0.00 0.88 0.00 0.00 43 T 7.94 4.43 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 1.21 0.00 0.00 44 Q 7.59 4.64 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 7.48 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 45 Q 8.16 4.58 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.15 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 46 L 7.50 4.56 0.00 1.35 1.41 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.76 0.00 2.20 2.09 0.00 3.75 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 48 H 7.97 4.68 0.00 3.06 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.11 3.92 0.00 1.59 1.62 0.87 0.85 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 50 L 7.62 4.59 0.00 1.54 1.49 0.87 0.81 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 51 K 8.35 4.27 0.00 1.81 1.82 0.00 1.44 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.43 7.81 52 D 7.94 4.46 0.00 2.59 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 53 V 8.49 4.41 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 0.73 0.00 0.00 0.93 0.00 0.00 54 G 8.21 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 0.00 0.00 0.00 55 S 8.45 4.78 0.00 3.95 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 56 L 7.77 4.08 0.00 1.72 1.72 1.19 1.20 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 57 D 8.16 4.46 0.00 2.93 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 58 E 7.63 3.92 0.00 2.01 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 2.33 2.36 0.00 59 K 8.11 4.19 0.00 2.24 1.99 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.52 7.81 60 M 8.08 3.76 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 61 K 8.14 4.19 0.00 1.92 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.40 7.81 62 S 7.92 4.69 0.00 3.97 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 63 L 7.61 4.47 0.00 1.50 1.64 1.04 1.03 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 64 D 8.28 4.41 0.00 2.56 2.57 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 65 V 8.39 4.14 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 0.84 0.00 0.00 0.98 0.00 0.00 66 N 8.73 4.68 0.00 2.75 2.91 0.00 0.00 7.25 7.59 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 67 Q 8.43 3.48 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 68 D 8.58 4.78 0.00 2.79 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 69 S 8.41 3.90 0.00 4.09 4.05 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 0.00 0.00 0.00 70 E 8.18 4.93 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 71 L 8.96 4.11 0.00 1.70 1.71 0.73 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.71 4.52 0.00 2.02 1.89 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.62 7.81 73 F 9.39 4.26 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.22 4.19 0.00 2.80 2.89 0.00 0.00 7.02 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 75 E 8.22 4.14 0.00 2.38 1.99 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 2.41 2.56 0.00 76 Y 8.93 4.22 0.00 3.27 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.29 3.71 0.00 3.29 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 78 R 7.67 3.98 0.00 2.08 1.96 0.00 3.19 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 79 L 7.67 3.88 0.00 1.82 1.50 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.27 3.45 1.15 0.00 0.00 -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 0.97 -0.36 0.41 0.00 0.00 81 G 7.83 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 82 E 7.98 3.99 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 2.46 2.47 0.00 83 L 7.99 3.87 0.00 1.73 1.59 0.70 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.83 4.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.66 4.06 0.00 1.88 1.97 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 86 E 8.48 4.18 0.00 2.17 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 2.41 2.41 0.00 87 I 7.16 3.90 1.84 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 1.39 0.76 0.97 0.00 0.00 88 R 7.73 4.42 0.00 1.79 1.87 0.00 3.43 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 89 K 8.69 4.08 0.00 1.79 1.98 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.42 7.81 90 K 7.77 4.33 0.00 1.97 0.96 0.00 1.61 0.00 0.00 1.51 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.36 7.81 91 K 8.47 4.55 0.00 1.95 1.67 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.36 7.81 92 D 7.91 4.98 0.00 2.62 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 93 L 7.59 4.68 0.00 1.57 1.58 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.23 4.49 0.00 1.76 1.66 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.50 7.81 95 I 7.45 4.55 1.86 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 1.41 0.60 0.90 0.00 0.00 96 R 7.90 4.28 0.00 1.75 1.79 0.00 3.34 0.00 0.00 3.44 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 97 K 7.84 3.91 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.40 7.81 98 K 8.31 4.16 0.00 1.77 1.69 0.00 1.49 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.47 7.81