NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4864 8.2893 120.3508 55.5167 33.4334 174.4473 2 E 4.7528 8.3456 122.0310 54.7525 32.6376 172.4884 3 A 4.5137 9.2353 125.1579 50.4607 21.5535 177.1751 4 K 4.8334 8.5616 122.0997 55.4698 34.9118 176.5145 5 A 4.3111 9.2925 126.0706 50.8924 20.3862 177.3154 6 I 3.4176 9.5602 128.8287 62.1555 34.9757 173.0067 7 A 4.5773 9.2260 130.5634 49.8123 18.7176 175.7088 8 R 4.0301 8.1279 119.4796 57.1468 31.4753 176.1825 9 Y 3.7970 9.0060 115.1614 59.2590 36.6691 171.5899 10 V 3.4328 8.9774 120.5595 63.1435 31.1860 175.2078 11 R 3.7918 8.0823 116.6475 54.2400 29.0509 171.9360 12 I 4.1705 7.0807 119.3760 59.8270 42.2203 173.0091 13 S 4.4269 8.3780 120.6929 57.5030 62.9672 172.4673 14 P 4.3141 0.0000 0.0000 65.2828 31.1611 178.3094 15 R 3.8635 8.0715 115.5795 59.0531 29.4940 178.0529 16 K 4.1880 8.4383 118.4409 59.1051 32.4033 178.8372 17 V 3.6819 7.9266 117.8276 66.5816 31.3910 177.9771 18 R 3.9029 8.2105 117.8197 59.6631 29.7166 178.6088 19 L 3.8965 7.2213 116.6031 58.0692 41.9249 179.7206 20 V 3.9292 8.2327 112.0636 63.8569 32.0188 178.4627 21 V 3.6705 7.9115 117.4845 66.4641 30.6434 177.6273 22 D 4.3884 8.8268 118.7146 57.2244 40.4361 178.3852 23 L 4.1037 8.2007 120.5465 57.0000 42.0323 177.4129 24 I 4.4509 7.1831 108.6743 59.9160 38.3143 175.5627 25 R 3.7692 7.6930 121.5568 57.8973 30.3643 176.1833 26 G 4.3626 8.4299 112.6489 45.4735 0.0000 171.8781 27 K 4.6195 7.4480 120.2529 53.9385 36.8472 175.7720 28 S 4.5602 8.6068 117.4475 58.8145 64.1797 175.5481 29 L 4.0611 8.7117 127.9512 58.0709 41.6850 178.6605 30 E 4.1127 8.0614 118.2784 58.3575 29.9978 177.3976 31 E 3.9205 8.2982 119.2736 59.1328 29.6535 178.7812 32 A 3.9417 8.5354 121.0498 55.3057 18.5294 179.5385 33 R 3.8334 7.8127 116.4282 59.7411 29.9468 179.0160 34 N 4.3461 8.2529 115.0377 57.1156 38.7749 176.7085 35 I 3.7059 8.2868 121.3949 63.0167 36.9466 178.2708 36 L 3.8556 8.1790 119.7471 58.1954 41.7464 179.5740 37 R 3.7498 7.7456 117.5152 59.3618 29.9008 177.6481 38 Y 5.1056 7.8021 113.3838 57.0444 39.0325 175.5821 39 T 4.4006 7.4807 118.0620 61.8696 68.8306 175.3583 40 N 4.6541 8.5652 126.3312 52.9790 37.0275 173.5630 41 K 4.4747 7.6604 119.8763 54.8297 35.9670 176.8540 42 R 3.8828 8.5632 122.3010 59.1338 30.5631 179.0555 43 G 3.8016 8.2546 104.4174 47.9254 0.0000 174.3952 44 A 3.9010 8.0236 122.0346 55.5632 18.2613 179.0770 45 Y 3.8764 7.5928 115.2517 60.4605 39.1912 179.1515 46 F 4.3811 7.3113 115.2729 60.7312 39.0725 178.2023 47 V 3.6302 7.9946 115.9805 66.0057 31.3979 177.2081 48 A 4.0301 8.5792 121.8241 54.0815 18.2896 178.9865 49 K 3.6476 8.0101 116.7522 59.7559 32.3299 179.5290 50 V 3.6827 8.1150 119.2188 64.5725 31.3390 177.9277 51 L 3.8330 8.2573 121.6785 57.6525 41.9106 178.1158 52 E 3.8311 8.1270 118.6328 59.6234 29.2693 178.9502 53 S 4.0271 7.7207 110.9132 61.4565 62.7467 175.7080 54 A 4.0920 7.9300 123.1727 54.9515 18.1100 179.4246 55 A 3.9341 8.5365 119.4614 55.2322 18.2843 179.2903 56 A 4.1973 7.9457 114.7066 53.1427 18.2709 177.3961 57 N 4.7055 7.9712 117.4233 55.2635 40.4779 176.9709 58 A 3.9479 7.9717 119.4688 55.3174 18.4955 179.4448 59 V 3.5769 7.8579 116.1768 65.5706 31.6579 177.4663 60 N 4.4314 8.4989 116.4581 55.3537 38.3311 175.4667 61 N 4.3290 9.0596 121.9608 56.1249 39.7004 175.4306 62 H 4.6643 8.0030 112.4412 54.8264 30.2867 174.2646 63 D 4.8333 7.4120 112.0663 54.4507 37.4728 173.0019 64 M 4.7612 8.1632 125.3421 53.2106 34.7037 173.0685 65 L 3.6941 8.0704 123.9910 54.4720 40.5866 173.5927 66 E 3.9693 8.8284 127.8744 59.5585 29.5187 178.6410 67 D 4.5959 8.0582 116.2438 56.0934 41.3777 176.6883 68 R 4.6132 8.3849 117.4945 55.6581 31.9642 175.4538 69 L 5.0664 7.6884 120.0088 54.7312 43.0278 175.6454 70 Y 5.2788 8.8573 120.4198 55.4383 42.5623 174.6812 71 V 3.9623 8.3819 120.4876 62.3356 30.8404 176.2492 72 K 3.3455 8.3586 130.3081 58.8985 32.8748 176.4329 73 A 4.3666 7.3822 117.8594 51.6091 22.1610 174.9833 74 A 4.4780 7.9546 118.8288 51.5174 22.1610 175.2062 75 Y 4.8442 7.7970 115.7322 56.3939 41.9084 173.4412 76 V 5.0088 8.5290 119.6074 60.3608 33.9042 174.8711 77 D 4.8114 8.5307 125.1563 52.7902 43.3382 175.0494 78 E 4.5940 8.5994 121.4556 55.7034 30.6735 175.9439 79 G 3.9453 8.6898 114.6925 43.1968 0.0000 171.2617 80 P 4.1791 0.0000 0.0000 62.7915 31.3061 176.1500 81 A 4.1029 8.3131 123.4711 52.0558 19.8153 177.0026 82 L 4.5013 8.5988 121.7655 52.6450 43.0289 174.2526 83 K 4.6147 8.3954 123.0896 56.3220 32.7362 176.3478 84 R 4.7355 8.9763 123.6363 54.3126 34.5455 174.5076 85 V 4.5649 8.3345 121.3300 61.6185 33.4296 174.9916 86 L 4.7466 9.2880 130.4861 52.2780 44.3001 173.5772 87 P 4.6002 0.0000 0.0000 63.1850 31.9309 175.9095 88 R 4.8216 8.4139 122.2407 53.7603 33.3691 175.2117 89 A 4.0772 8.4219 121.7739 53.6647 18.9166 177.6003 90 R 3.5631 8.9354 117.8481 57.8470 27.3277 176.5045 91 G 4.0813 8.3596 101.0053 46.6273 0.0000 176.1243 92 R 3.7378 7.8980 119.6323 57.4576 30.1934 175.8792 93 A 3.6701 7.9966 120.9184 52.9062 16.1955 175.4682 94 D 5.1116 8.9360 120.8586 53.3199 44.6094 175.5633 95 I 4.9069 8.0979 112.9696 59.3485 39.3262 175.1685 96 I 4.2149 8.9093 128.0526 59.9093 40.0149 174.7298 97 K 4.6690 8.3923 126.4459 54.5244 33.5759 176.5710 98 K 4.2165 8.7635 126.6567 55.7719 30.9251 177.5626 99 R 4.6115 8.3718 124.8120 56.2390 32.0785 175.3885 100 T 4.8245 8.1046 113.0796 60.9545 70.9438 172.5986 101 S 5.1360 8.2114 122.9526 57.2161 66.2872 172.9169 102 H 5.5147 8.5911 117.5957 52.7797 28.9340 172.1256 103 I 4.1043 7.8824 121.7379 61.5465 38.9113 175.2684 104 T 5.0688 9.0125 122.7811 61.8258 72.3681 173.2285 105 V 4.7201 8.1937 123.9903 61.2460 35.9381 173.9975 106 I 4.9971 8.2541 118.4166 59.6741 40.9816 173.6375 107 L 5.5811 8.4661 126.3735 52.4236 44.9429 175.6298 108 G 4.5156 8.3329 107.3475 44.9930 0.0000 170.5179 109 E 4.9498 8.6423 118.2004 54.7920 31.6057 175.8364 110 K 3.8306 8.5274 125.4880 57.7197 32.9716 177.4010 111 H 3.7959 8.4657 120.7790 56.7446 31.0234 173.4178 112 G 4.0718 8.1901 113.6768 46.4563 0.0000 173.2909 113 K 4.2094 8.7727 126.6954 54.3661 32.6653 174.6422 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 8.29 4.49 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 2 E 8.35 4.75 0.00 2.13 1.84 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 2.16 2.34 0.00 3 A 9.24 4.51 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 4 K 8.56 4.83 0.00 1.73 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.39 7.81 5 A 9.29 4.31 1.11 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 0.00 0.00 6 I 9.56 3.42 1.88 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 1.43 0.48 0.91 0.00 0.00 7 A 9.23 4.58 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 8 R 8.13 4.03 0.00 1.74 1.88 0.00 3.27 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 9 Y 9.01 3.80 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.98 3.43 2.04 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 0.16 0.00 0.00 0.94 0.00 0.00 11 R 8.08 3.79 0.00 1.83 1.97 0.00 3.48 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.28 0.00 12 I 7.08 4.17 1.97 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.04 0.89 0.00 0.00 13 S 8.38 4.43 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.31 0.00 2.20 2.11 0.00 3.94 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 2.09 2.13 0.00 15 R 8.07 3.86 0.00 1.80 2.00 0.00 3.23 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 16 K 8.44 4.19 0.00 2.06 1.86 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 V 7.93 3.68 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 1.23 0.00 0.00 1.05 0.00 0.00 18 R 8.21 3.90 0.00 1.91 2.01 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 19 L 7.22 3.90 0.00 1.89 1.79 0.97 0.88 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 20 V 8.23 3.93 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 0.77 0.00 0.00 0.97 0.00 0.00 21 V 7.91 3.67 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 1.09 0.00 0.00 1.02 0.00 0.00 22 D 8.83 4.39 0.00 2.94 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 23 L 8.20 4.10 0.00 1.71 1.70 0.94 1.00 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 24 I 7.18 4.45 1.86 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 1.33 0.82 0.91 0.00 0.00 25 R 7.69 3.77 0.00 1.79 1.86 0.00 3.40 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 26 G 8.43 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.45 4.62 0.00 1.84 1.68 0.00 1.83 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.35 7.81 28 S 8.61 4.56 0.00 4.13 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 29 L 8.71 4.06 0.00 1.88 1.84 0.91 0.63 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 30 E 8.06 4.11 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 31 E 8.30 3.92 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 2.33 2.35 0.00 32 A 8.54 3.94 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 33 R 7.81 3.83 0.00 2.02 1.97 0.00 3.12 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 1.63 2.03 0.00 34 N 8.25 4.35 0.00 2.96 2.94 0.00 0.00 7.11 7.30 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 35 I 8.29 3.71 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.96 0.93 0.00 0.00 36 L 8.18 3.86 0.00 1.67 1.70 0.93 0.86 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 37 R 7.75 3.75 0.00 1.72 1.97 0.00 2.96 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.00 38 Y 7.80 5.11 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.48 4.40 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 40 N 8.57 4.65 0.00 2.69 2.79 0.00 0.00 7.08 6.68 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 41 K 7.66 4.47 0.00 1.79 1.64 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.34 7.81 42 R 8.56 3.88 0.00 1.84 1.97 0.00 3.19 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00 43 G 8.25 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 44 A 8.02 3.90 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 45 Y 7.59 3.88 0.00 2.83 2.49 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 0.00 0.00 0.00 0.00 46 F 7.31 4.38 0.00 3.28 3.05 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 47 V 7.99 3.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.04 0.00 0.00 48 A 8.58 4.03 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 49 K 8.01 3.65 0.00 1.58 1.90 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.41 1.39 7.81 50 V 8.12 3.68 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 51 L 8.26 3.83 0.00 1.99 1.65 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.13 3.83 0.00 2.05 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 2.35 2.44 0.00 53 S 7.72 4.03 0.00 3.92 4.02 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 0.00 0.00 0.00 54 A 7.93 4.09 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 55 A 8.54 3.93 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 56 A 7.95 4.20 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 57 N 7.97 4.71 0.00 3.04 2.86 0.00 0.00 6.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.97 3.95 1.33 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 59 V 7.86 3.58 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 0.99 0.00 0.00 0.95 0.00 0.00 60 N 8.50 4.43 0.00 3.07 2.56 0.00 0.00 7.04 6.71 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 61 N 9.06 4.33 0.00 2.74 2.75 0.00 0.00 6.61 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.00 4.66 0.00 3.12 3.26 0.00 5.92 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.41 4.83 0.00 2.81 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 64 M 8.16 4.76 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 65 L 8.07 3.69 0.00 1.87 1.82 0.92 0.85 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 66 E 8.83 3.97 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 2.39 2.38 0.00 67 D 8.06 4.60 0.00 2.71 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 68 R 8.38 4.61 0.00 1.67 1.82 0.00 3.08 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 69 L 7.69 5.07 0.00 1.82 1.63 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.86 5.28 0.00 3.11 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 71 V 8.38 3.96 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 0.77 0.00 0.00 0.91 0.00 0.00 72 K 8.36 3.35 0.00 1.45 1.69 0.00 1.98 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 73 A 7.38 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.95 4.48 1.06 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 75 Y 7.80 4.84 0.00 2.93 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 76 V 8.53 5.01 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 0.82 0.00 0.00 0.98 0.00 0.00 77 D 8.53 4.81 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.59 0.00 1.93 1.78 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 2.19 2.23 0.00 79 G 8.69 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 0.00 0.00 0.00 80 P 0.00 4.18 0.00 2.01 1.95 0.00 3.44 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 81 A 8.31 4.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.60 4.50 0.00 1.92 1.50 0.86 0.91 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 83 K 8.40 4.61 0.00 1.66 1.74 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.40 7.81 84 R 8.98 4.74 0.00 1.67 1.75 0.00 3.26 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 85 V 8.33 4.56 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 0.75 0.00 0.00 0.92 0.00 0.00 86 L 9.29 4.75 0.00 1.68 1.49 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.60 0.00 2.11 2.05 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 88 R 8.41 4.82 0.00 1.74 1.89 0.00 3.37 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 89 A 8.42 4.08 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 90 R 8.94 3.56 0.00 1.97 2.04 0.00 3.36 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 91 G 8.36 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 92 R 7.90 3.74 0.00 2.00 2.00 0.00 3.31 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 93 A 8.00 3.67 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 94 D 8.94 5.11 0.00 2.57 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 95 I 8.10 4.91 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 1.22 0.65 0.90 0.00 0.00 96 I 8.91 4.21 1.86 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 1.22 1.35 0.90 0.00 0.00 97 K 8.39 4.67 0.00 1.63 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.41 7.81 98 K 8.76 4.22 0.00 1.67 1.77 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.55 7.81 99 R 8.37 4.61 0.00 1.71 2.00 0.00 3.54 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 100 T 8.10 4.82 4.18 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 1.18 0.00 0.00 101 S 8.21 5.14 0.00 3.88 3.73 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 0.00 102 H 8.59 5.51 0.00 3.21 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.88 4.10 1.92 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 1.41 0.89 0.96 0.00 0.00 104 T 9.01 5.07 4.56 0.00 0.00 0.00 0.00 0.00 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 0.00 105 V 8.19 4.72 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 0.80 0.00 0.00 0.90 0.00 0.00 106 I 8.25 5.00 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.41 0.85 0.00 0.00 107 L 8.47 5.58 0.00 1.53 1.67 0.84 1.02 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 0.00 108 G 8.33 4.52 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 0.00 0.00 0.00 109 E 8.64 4.95 0.00 1.92 1.81 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 2.34 2.31 0.00 110 K 8.53 3.83 0.00 1.58 1.60 0.00 1.23 0.00 0.00 1.02 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.42 7.81 111 H 8.47 3.80 0.00 3.34 3.36 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.19 4.07 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 0.00 0.00 0.00 113 K 8.77 4.21 0.00 1.74 1.53 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 0.95 7.81