NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4746 8.2516 119.7183 54.3378 33.4651 174.0692 1 K 2.5707 8.3482 119.4194 55.5777 32.3750 173.6216 2 P 3.9605 0.0000 0.0000 61.9125 32.5855 175.1917 3 P 4.0777 0.0000 0.0000 65.4611 31.2067 177.4453 4 Q 3.9027 7.4312 115.1961 57.2180 28.9798 175.6368 5 F 5.2335 7.0181 117.8882 56.0993 40.9785 176.2600 6 T 4.3254 8.7594 115.6032 60.5544 71.3510 176.1156 7 W 4.2436 8.6802 120.2584 59.8450 28.9872 178.6267 8 A 4.5969 8.1824 121.7488 54.9591 17.8871 179.5828 9 Q 3.8757 8.2811 116.6188 58.6384 28.7528 178.6943 10 W 4.2413 8.4805 129.6677 60.2812 30.6369 177.8226 11 F 3.9325 8.6869 120.8173 61.3057 38.8778 176.7475 12 E 4.0294 8.5773 118.9372 59.6565 29.1977 178.9166 13 T 3.7580 7.8278 115.2971 66.3721 68.4768 176.1488 14 Q 3.6928 7.2478 118.7569 57.4034 29.2875 176.9050 15 H 4.6397 7.6399 115.9038 54.2620 29.6289 174.9175 16 I 4.0963 7.4139 119.5692 62.9164 38.9221 176.6769 17 N 4.4921 7.8827 120.7483 52.3745 37.1969 173.3091 18 M 3.6178 7.9611 122.2654 53.9636 31.4777 176.6592 19 T 4.0635 8.0586 115.7798 62.6937 69.3615 174.2730 20 S 4.5470 6.9955 115.0862 57.0225 65.5261 174.0955 21 Q 4.0021 8.5466 122.9344 58.0938 29.0504 176.6709 22 Q 4.7413 7.6792 118.3931 54.0759 31.1653 176.4127 23 C 4.0415 9.4567 123.7536 60.8484 40.2459 176.6654 24 T 4.0634 8.0678 114.7396 66.3852 68.0637 175.1113 25 N 4.6747 7.8428 116.8194 54.9828 39.4807 177.0002 26 A 3.9065 8.1340 121.6174 55.2318 18.6204 179.2975 27 M 4.1239 8.5055 117.5402 57.8209 31.8105 178.4801 28 Q 3.9724 7.7415 120.5089 59.2438 28.9397 178.5972 29 V 3.5023 7.7360 117.1080 66.1087 31.6605 177.5602 30 I 4.2347 7.7861 118.7418 64.8573 37.1259 178.1828 31 N 4.4936 8.6900 117.4889 56.1889 38.0762 177.0176 32 N 4.3206 8.3223 118.3965 56.6702 39.0116 175.3548 33 Y 4.3243 7.4440 117.3987 60.8157 38.3631 177.3839 34 Q 4.5580 8.1763 114.7391 54.6996 30.2881 175.4093 35 R 3.8506 7.8883 115.9704 56.3992 28.0230 177.3023 36 R 4.5005 7.6513 115.9898 55.2742 32.9128 174.7581 37 C 4.8495 8.7728 123.7068 56.6970 40.9625 173.8070 38 K 4.3921 8.9156 124.0892 56.1961 32.6036 176.9756 39 N 4.6795 8.8626 121.7101 56.6524 39.9577 174.3560 40 Q 5.2453 7.8608 113.4712 55.3416 31.8212 173.7339 41 N 4.6958 8.8557 118.1287 52.9248 42.9631 172.9737 42 T 4.8549 8.3294 122.3215 61.8494 71.4742 173.0514 43 F 4.8275 9.1954 125.6723 55.7908 41.0191 174.8748 44 L 4.4855 8.7551 125.6503 53.2978 41.9966 178.4344 45 L 4.3754 8.1988 128.4184 54.1628 38.9799 175.6435 46 T 4.5134 7.2783 113.7178 60.2902 70.5177 172.6384 47 T 4.8172 8.1393 108.6382 59.4684 73.1415 174.2588 48 F 4.0678 8.7862 122.9539 61.4727 39.4345 177.0865 49 A 3.7176 8.1116 119.8835 55.2775 17.9428 179.2331 50 N 4.3234 8.1231 114.9797 56.2814 38.5678 177.9038 51 V 3.6627 7.5553 119.8240 65.7829 31.3890 178.1202 52 V 3.2525 7.1990 117.2367 65.9264 31.4835 177.3685 53 N 4.4126 7.9798 116.1265 56.4187 38.3997 177.4205 54 V 3.6346 7.3601 119.1774 66.2123 31.3605 177.2595 55 C 4.2885 7.9671 115.0414 58.9339 40.0438 175.2947 56 G 3.5916 8.0401 106.0550 44.5768 0.0000 173.8492 57 N 4.6235 7.5692 119.0292 51.6797 39.2964 173.1094 58 P 4.2467 0.0000 0.0000 63.4059 31.4449 176.0363 59 N 4.6415 8.6694 119.6939 54.0254 39.5330 173.9931 60 M 4.8687 8.6269 117.5886 53.6977 35.3608 174.3439 61 T 4.0397 8.4289 117.5194 63.5499 69.3408 175.1691 62 C 4.2970 9.1819 125.3002 56.4579 40.6868 173.3096 63 P 4.0831 0.0000 0.0000 65.3421 30.9893 177.4807 64 S 4.3294 7.3599 109.6746 59.4977 63.6769 173.8946 65 N 4.6556 8.0894 122.3242 52.5297 39.4281 175.2375 66 K 4.0397 8.5361 126.9962 56.7645 31.9299 176.0498 67 T 4.2741 8.1910 112.7023 65.1464 68.9883 174.8016 68 R 4.6532 8.3549 124.3840 54.9154 32.3020 177.0872 69 K 4.9738 8.5027 124.4446 54.5535 33.2074 173.5119 70 N 5.0009 8.1614 115.0263 53.7663 38.8075 174.8384 71 C 5.3063 7.6593 115.4769 56.9043 43.8145 172.5513 72 H 5.2092 8.8880 117.4962 54.6063 32.9590 172.2199 73 H 4.8000 8.8909 123.8063 55.2527 30.5644 174.9814 74 S 3.8306 8.9160 121.5467 58.1117 63.1876 175.6396 75 G 3.8516 8.7204 111.8040 48.6727 0.0000 173.1630 76 S 4.9868 7.0721 111.8925 58.8271 68.8802 176.3374 77 Q 3.9502 8.3755 118.4546 56.3906 29.5298 176.0512 78 V 4.6150 8.5240 121.8006 60.2161 35.6134 172.8135 79 P 4.9921 0.0000 0.0000 62.7647 32.4650 174.9229 80 L 5.0319 9.1865 121.4645 54.9516 44.7417 174.1832 81 I 4.9224 8.9702 120.4351 59.9475 40.7518 173.9564 82 H 5.1156 8.9808 127.8581 55.0580 31.7472 172.9068 83 C 5.2242 9.3633 124.2391 55.5291 38.4308 172.0850 84 N 5.2799 9.3173 124.0686 51.3269 40.6672 173.4879 85 L 3.6506 8.7031 130.0356 55.4705 41.8739 176.4084 86 T 4.4866 8.5797 116.5150 62.1046 71.4302 174.5788 87 T 4.6085 7.4105 118.3839 60.8446 72.1030 172.2193 88 P 4.6605 0.0000 0.0000 62.8142 33.0567 176.8704 89 S 4.7529 7.9883 110.2138 57.1535 62.9089 173.4136 90 P 4.2571 0.0000 0.0000 66.2073 31.5474 179.5840 91 Q 4.0407 7.9862 115.6495 56.9678 28.4829 177.7471 92 N 4.5515 8.0875 113.0509 53.2746 40.6311 174.7207 93 I 3.9584 8.4406 121.5115 63.6094 37.6679 178.4179 94 S 4.2214 8.3032 115.0788 60.6530 62.7796 174.6211 95 N 4.7272 8.2228 117.2265 53.3223 38.7428 174.4202 96 C 4.6589 8.0395 117.5575 57.0760 40.9559 173.2842 97 R 4.8912 8.7663 122.5453 54.7421 32.3004 174.8625 98 Y 5.1844 8.8268 119.6214 56.1585 41.6869 174.7213 99 A 4.9434 9.1906 124.3913 50.2646 21.5369 175.7123 100 Q 5.1647 8.7529 119.7965 54.6573 31.6116 175.3928 101 T 4.6470 8.7522 118.6662 61.0051 71.1607 171.7315 102 P 4.9201 0.0000 0.0000 62.9829 32.6662 175.2066 103 A 4.4091 8.5502 121.6941 51.7858 23.5581 174.8472 104 N 5.3978 8.3527 115.9523 52.0143 41.3702 173.9984 105 M 4.7059 8.5350 121.9885 53.6382 37.4540 174.9209 106 F 5.1715 9.5091 120.3321 57.1458 40.9830 173.9720 107 Y 5.3680 8.7020 117.0376 56.1743 41.8412 173.6679 108 I 5.0940 8.9864 121.6589 59.5321 40.4944 174.9630 109 V 4.9004 8.9489 126.1131 59.7950 34.7360 174.2976 110 A 5.0054 9.0254 125.4847 51.0807 20.3399 175.4781 111 C 5.3602 9.1968 120.5557 55.3188 39.9626 173.1066 112 D 5.0577 8.8005 120.7252 52.0643 45.3903 174.6852 113 N 5.0098 8.7444 117.2721 53.2917 39.1203 175.5762 114 R 4.2041 8.8510 120.1349 56.2002 30.9111 175.9696 115 D 4.6251 9.8849 119.6772 53.2920 40.5285 176.4393 116 Q 3.9134 8.9441 129.5876 59.4031 28.7903 179.3365 117 R 4.6585 8.1789 112.7870 55.8812 30.0136 179.3114 118 R 4.6685 7.7225 114.3425 58.0289 34.7069 175.4590 119 D 4.7471 8.2676 117.4443 52.3368 41.8451 174.5734 120 P 4.3616 0.0000 0.0000 62.3187 31.5991 175.6749 121 P 4.3154 0.0000 0.0000 65.3113 31.2907 177.2479 122 Q 3.9982 7.8426 115.6640 57.7435 28.5406 175.9577 123 Y 4.8977 7.2831 116.6936 55.1274 38.9379 172.8679 124 P 4.4963 0.0000 0.0000 64.7148 32.7991 176.5078 125 V 4.8877 7.8374 119.1148 60.8959 33.6479 175.3896 126 V 4.5976 9.0348 120.4434 58.5393 36.1896 173.1391 127 P 4.4932 0.0000 0.0000 63.1218 31.8112 177.0037 128 V 4.5498 8.4122 113.9178 61.1991 34.4060 175.2909 129 H 4.9583 7.7736 119.5986 54.7396 33.4773 172.1676 130 L 4.6823 8.4587 128.1033 53.8905 41.1249 175.2440 131 D 4.4916 8.7682 127.0917 56.8239 41.9269 175.9781 132 R 4.4662 7.2439 116.0795 55.9594 33.4758 172.9882 133 I 5.2088 8.4763 123.2135 59.4128 40.5663 175.6107 134 I 4.3173 8.8247 119.4452 61.2791 37.7734 174.8472 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 0 M 8.25 4.47 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 1 K 8.35 2.57 0.00 0.97 1.02 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.52 0.21 7.81 2 P 0.00 3.96 0.00 1.41 1.53 0.00 2.20 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.57 0.00 3 P 0.00 4.08 0.00 2.01 2.03 0.00 3.50 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 1.78 1.82 0.00 4 Q 7.43 3.90 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 5 F 7.02 5.23 0.00 2.76 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 6 T 8.76 4.33 4.35 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 1.35 0.00 0.00 7 W 8.68 4.24 0.00 3.55 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 4.60 1.60 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 9 Q 8.28 3.88 0.00 2.44 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 10 W 8.48 4.24 0.00 3.24 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 11 F 8.69 3.93 0.00 3.44 3.42 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 12 E 8.58 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 2.36 2.40 0.00 13 T 7.83 3.76 4.09 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 1.26 0.00 0.00 14 Q 7.25 3.69 0.00 1.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 15 H 7.64 4.64 0.00 2.08 2.71 0.00 5.57 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.41 4.10 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.14 1.07 0.00 0.00 17 N 7.88 4.49 0.00 2.72 2.79 0.00 0.00 6.81 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 18 M 7.96 3.62 0.00 1.66 1.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 2.23 0.00 19 T 8.06 4.06 4.20 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 1.25 0.00 0.00 20 S 7.00 4.55 0.00 3.86 3.67 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 21 Q 8.55 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 22 Q 7.68 4.74 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 23 C 9.46 4.04 0.00 2.95 3.08 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 24 T 8.07 4.06 4.29 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 1.35 0.00 0.00 25 N 7.84 4.67 0.00 2.80 2.81 0.00 0.00 7.06 7.54 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 26 A 8.13 3.91 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 27 M 8.51 4.12 0.00 1.63 1.82 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.39 0.00 28 Q 7.74 3.97 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 29 V 7.74 3.50 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 0.99 0.00 0.00 0.93 0.00 0.00 30 I 7.79 4.23 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.82 0.00 0.00 31 N 8.69 4.49 0.00 2.78 2.97 0.00 0.00 6.76 6.47 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 32 N 8.32 4.32 0.00 2.75 2.81 0.00 0.00 7.20 8.08 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 33 Y 7.44 4.32 0.00 3.35 3.02 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 34 Q 8.18 4.56 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 35 R 7.89 3.85 0.00 1.99 2.01 0.00 3.35 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 36 R 7.65 4.50 0.00 1.78 1.85 0.00 3.46 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 37 C 8.77 4.85 0.00 3.05 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 38 K 8.92 4.39 0.00 1.83 1.92 0.00 1.58 0.00 0.00 1.47 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.62 7.81 39 N 8.86 4.68 0.00 2.88 2.85 0.00 0.00 6.68 7.09 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 40 Q 7.86 5.25 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.39 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 41 N 8.86 4.70 0.00 2.61 2.31 0.00 0.00 7.27 6.84 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 42 T 8.33 4.85 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 1.17 0.00 0.00 43 F 9.20 4.83 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.76 4.49 0.00 1.46 1.50 0.31 0.73 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 45 L 8.20 4.38 0.00 1.64 1.64 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.28 4.51 4.29 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 1.28 0.00 0.00 47 T 8.14 4.82 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 1.25 0.00 0.00 48 F 8.79 4.07 0.00 3.30 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 49 A 8.11 3.72 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.12 4.32 0.00 3.03 2.91 0.00 0.00 6.67 7.84 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 51 V 7.56 3.66 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 0.89 0.00 0.00 1.02 0.00 0.00 52 V 7.20 3.25 1.83 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 0.79 0.00 0.00 -0.18 0.00 0.00 53 N 7.98 4.41 0.00 2.97 2.83 0.00 0.00 6.63 7.78 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 54 V 7.36 3.63 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 0.93 0.00 0.00 0.89 0.00 0.00 55 C 7.97 4.29 0.00 3.10 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 56 G 8.04 3.59 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 0.00 0.00 0.00 57 N 7.57 4.62 0.00 2.82 2.77 0.00 0.00 6.94 7.75 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 58 P 0.00 4.25 0.00 2.16 2.09 0.00 3.78 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 2.00 0.00 59 N 8.67 4.64 0.00 2.58 2.90 0.00 0.00 6.84 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 60 M 8.63 4.87 0.00 2.00 2.05 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 2.43 2.52 0.00 61 T 8.43 4.04 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 1.24 0.00 0.00 62 C 9.18 4.30 0.00 3.15 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 63 P 0.00 4.08 0.00 2.17 2.18 0.00 3.83 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 2.19 1.97 0.00 64 S 7.36 4.33 0.00 3.99 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 65 N 8.09 4.66 0.00 2.62 2.67 0.00 0.00 7.13 8.17 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 66 K 8.54 4.04 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.04 7.81 67 T 8.19 4.27 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 1.20 0.00 0.00 68 R 8.35 4.65 0.00 1.93 1.98 0.00 3.15 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 69 K 8.50 4.97 0.00 1.72 1.61 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 0.95 7.81 70 N 8.16 5.00 0.00 2.95 3.01 0.00 0.00 6.05 7.68 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 71 C 7.66 5.31 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.89 5.21 0.00 2.99 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.89 4.80 0.00 3.11 3.16 0.00 5.74 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 74 S 8.92 3.83 0.00 3.23 2.63 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 0.00 0.00 0.00 0.00 75 G 8.72 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.07 4.99 0.00 3.79 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 77 Q 8.38 3.95 0.00 1.61 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.40 6.75 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 78 V 8.52 4.61 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 1.07 0.00 0.00 1.10 0.00 0.00 79 P 0.00 4.99 0.00 2.15 2.24 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.81 0.00 80 L 9.19 5.03 0.00 1.87 1.76 0.95 0.77 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 81 I 8.97 4.92 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 1.12 0.63 0.95 0.00 0.00 82 H 8.98 5.12 0.00 3.30 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 C 9.36 5.22 0.00 2.83 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 84 N 9.32 5.28 0.00 2.86 2.89 0.00 0.00 6.39 6.69 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 85 L 8.70 3.65 0.00 1.55 1.54 0.27 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.58 4.49 4.20 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 1.25 0.00 0.00 87 T 7.41 4.61 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 88 P 0.00 4.66 0.00 2.05 2.02 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 89 S 7.99 4.75 0.00 3.86 3.81 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 90 P 0.00 4.26 0.00 2.22 2.18 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 91 Q 7.99 4.04 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 92 N 8.09 4.55 0.00 2.71 2.69 0.00 0.00 6.75 7.37 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 93 I 8.44 3.96 1.93 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 1.50 0.46 0.95 0.00 0.00 94 S 8.30 4.22 0.00 4.02 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 95 N 8.22 4.73 0.00 2.85 2.89 0.00 0.00 7.01 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 8.04 4.66 0.00 3.09 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 97 R 8.77 4.89 0.00 1.70 1.80 0.00 3.05 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 98 Y 8.83 5.18 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 9.19 4.94 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 0.00 100 Q 8.75 5.16 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 101 T 8.75 4.65 4.30 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 1.24 0.00 0.00 102 P 0.00 4.92 0.00 2.07 2.05 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 103 A 8.55 4.41 1.22 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 0.00 0.00 104 N 8.35 5.40 0.00 2.55 2.62 0.00 0.00 6.55 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 0.00 105 M 8.53 4.71 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 106 F 9.51 5.17 0.00 2.96 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 0.00 107 Y 8.70 5.37 0.00 3.10 3.02 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 0.00 108 I 8.99 5.09 1.91 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 1.28 1.00 0.98 0.00 0.00 109 V 8.95 4.90 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 0.80 0.00 0.00 0.75 0.00 0.00 110 A 9.03 5.01 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 0.00 111 C 9.20 5.36 0.00 2.77 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 0.00 112 D 8.80 5.06 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.74 5.01 0.00 2.64 2.79 0.00 0.00 6.91 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 0.00 114 R 8.85 4.20 0.00 1.89 2.23 0.00 3.40 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 115 D 9.88 4.63 0.00 2.75 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 0.00 116 Q 8.94 3.91 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 117 R 8.18 4.66 0.00 1.82 1.78 0.00 3.23 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 118 R 7.72 4.67 0.00 1.83 1.94 0.00 3.16 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 119 D 8.27 4.75 0.00 2.93 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 0.00 120 P 0.00 4.36 0.00 2.18 2.22 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.11 0.00 121 P 0.00 4.32 0.00 2.18 2.23 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 122 Q 7.84 4.00 0.00 1.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.14 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 123 Y 7.28 4.90 0.00 3.05 2.88 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 0.00 124 P 0.00 4.50 0.00 2.15 2.35 0.00 3.76 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 2.13 2.01 0.00 125 V 7.84 4.89 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 0.94 0.00 0.00 126 V 9.03 4.60 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 0.89 0.00 0.00 1.08 0.00 0.00 127 P 0.00 4.49 0.00 0.67 1.67 0.00 3.21 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.37 0.00 128 V 8.41 4.55 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 0.81 0.00 0.00 0.92 0.00 0.00 129 H 7.77 4.96 0.00 3.12 3.07 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.46 4.68 0.00 1.62 1.42 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.77 4.49 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 0.00 132 R 7.24 4.47 0.00 1.90 1.73 0.00 3.18 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 133 I 8.48 5.21 1.87 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 1.40 0.73 0.93 0.00 0.00 134 I 8.82 4.32 1.93 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 1.19 1.36 0.94 0.00 0.00