NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5928 0.0000 0.0000 62.1275 32.9749 174.9006 2 L 5.5780 7.3942 121.1525 51.5311 45.6784 174.2735 3 R 4.5158 8.1675 117.8206 55.2855 34.0137 173.3156 4 L 4.4735 8.7896 128.1914 54.6998 42.0644 176.7238 5 G 3.8682 8.9173 116.4096 44.8577 0.0000 173.3576 6 G 3.6081 8.6345 108.9133 48.5031 0.0000 174.5360 7 N 4.4975 8.0708 113.9860 53.1656 37.3216 175.9004 8 G 3.9873 8.4523 108.5849 45.3646 0.0000 173.4776 9 Q 4.6757 8.0703 119.3727 53.8161 30.8749 175.0668 10 L 4.4106 8.5833 122.3031 55.3854 42.5553 176.3968 11 Q 4.6822 9.4152 124.1226 54.4409 32.1074 173.3699 12 Y 5.1319 8.7661 127.4547 56.4560 40.1554 174.2955 13 W 5.0833 7.3994 121.7881 54.2849 31.5377 172.9110 14 P 4.0769 0.0000 0.0000 61.5542 31.7004 176.3214 15 F 4.1101 8.0192 119.6638 58.1430 39.6693 175.4972 16 S 4.4720 8.8110 119.4236 57.5387 64.2956 174.7912 17 S 3.7360 8.9770 120.3534 61.9437 62.3721 176.8588 18 S 4.0738 8.1458 118.6838 61.4826 62.5395 176.6732 19 D 3.6391 7.5602 120.5169 56.8237 40.4594 178.9499 20 L 3.5894 6.8588 118.8368 57.9459 41.7298 179.0664 21 Y 4.3919 7.7563 117.0069 60.9419 37.6854 178.2137 22 N 4.3517 8.1793 117.6996 56.1863 38.4375 177.4374 23 W 4.4837 7.7432 119.1653 59.5636 28.9351 178.2674 24 K 4.1862 8.1642 119.3938 59.7584 31.5166 178.7851 25 N 4.3898 8.1241 115.3232 56.3722 38.5673 175.7911 26 N 4.8090 8.5736 113.1922 53.3751 38.6688 174.3595 27 N 5.1271 7.6764 114.9119 50.6528 42.4841 172.3413 28 P 4.6559 0.0000 0.0000 61.4837 32.9836 176.4878 29 S 4.3484 8.3912 113.8366 58.5075 64.3242 175.1291 30 F 4.2440 8.7201 124.4926 61.7377 39.3360 177.0836 31 S 4.0901 8.5332 113.8189 61.7723 62.7343 176.2005 32 E 4.2720 8.2589 120.8436 58.3560 29.9650 176.2238 33 D 4.3967 7.8105 116.2804 53.0575 42.9869 173.6530 34 P 4.0727 0.0000 0.0000 64.4914 32.0559 179.2301 35 G 3.7084 8.2178 105.0479 47.8977 0.0000 175.3703 36 K 4.0573 7.8505 120.4904 59.1634 32.2853 179.4370 37 L 4.0026 7.8875 118.6774 57.6551 41.5813 179.8885 38 T 3.8164 8.0256 115.9153 66.5833 68.5192 176.2813 39 A 3.9716 7.9245 122.6654 55.2813 18.3113 179.2785 40 L 3.6716 8.1155 118.7673 58.3175 42.2165 178.9549 41 I 3.4056 7.5303 119.5741 64.4720 36.9283 177.9176 42 E 3.8768 8.4693 120.2430 59.2572 29.3290 178.8848 43 S 3.9815 7.8974 112.9347 61.5511 62.6110 176.2242 44 V 3.5374 7.9204 121.2287 66.0367 30.8014 177.9059 45 L 4.0584 8.2968 118.3103 57.5295 41.1835 179.1174 46 T 4.2453 7.3594 115.3170 66.3856 68.7269 177.3753 47 T 4.0664 8.2033 110.3260 64.0098 69.2622 175.3082 48 H 4.5559 8.2492 116.8949 54.9540 30.3254 174.2563 49 Q 3.6368 7.8117 119.9803 56.1965 26.3932 172.6330 50 P 4.3380 0.0000 0.0000 62.6947 32.7191 177.7423 51 T 4.3722 8.8892 112.4510 60.8518 70.9608 175.4719 52 W 3.8137 8.6217 129.5994 60.6753 30.8919 177.0523 53 D 4.3925 8.3990 118.3672 57.5667 40.3737 178.2146 54 D 4.5829 8.0985 119.2830 57.8578 40.8060 178.7561 55 C 4.3199 8.1351 116.6431 62.3895 28.1261 176.0409 56 Q 3.7992 7.6871 120.0642 58.4824 28.0817 178.5408 57 Q 3.8647 7.9223 118.7980 58.9227 28.8801 177.9066 58 L 3.7788 7.7767 119.8363 58.2333 41.7715 179.8935 59 L 3.9568 8.0849 118.3758 57.8284 41.4129 179.9441 60 G 3.6634 8.2962 104.5786 47.4900 0.0000 175.1427 61 T 4.3179 7.7597 116.7011 65.6133 69.3595 176.6173 62 L 4.3525 7.9139 118.0434 54.7481 42.2860 176.7337 63 L 5.0050 6.9864 117.7293 52.2624 45.5475 176.9211 64 T 4.4255 10.0305 113.2771 60.9474 71.1646 176.1061 65 G 3.9471 8.5256 108.8850 48.3414 0.0000 175.4410 66 E 3.9982 8.3048 121.1134 59.0984 29.4607 179.4954 67 E 4.0618 8.0343 117.7078 59.3868 29.5678 179.3344 68 K 3.8230 8.5291 120.0417 59.5677 32.1060 178.6223 69 Q 3.9929 8.5743 120.2775 58.9699 28.9567 177.9483 70 R 3.8776 8.0658 119.3316 59.2021 30.1830 178.7658 71 V 3.5209 8.0620 117.9215 66.1910 31.4833 177.9874 72 L 3.8382 7.9536 118.2812 58.0602 41.6068 179.6001 73 L 3.9876 7.6629 118.4314 57.8219 41.2677 179.3110 74 E 3.9332 8.0360 118.3276 58.8508 29.8532 178.2785 75 A 3.8612 7.7335 121.0057 55.0384 18.0893 179.7383 76 R 4.0390 7.4735 115.1591 58.3333 30.1858 178.0271 77 K 4.3362 7.5161 117.6907 56.5174 32.0749 176.5618 78 A 4.5102 7.4572 120.9169 52.7955 21.1821 177.8017 79 V 3.6102 7.5401 114.0440 63.3679 32.1011 174.8494 80 R 4.7407 8.2996 123.8904 54.0302 33.2679 176.0213 81 G 3.9391 8.0663 111.0670 44.8608 0.0000 173.8465 82 N 4.3809 8.6074 115.9746 55.3089 37.2236 175.4529 83 D 4.5418 8.0631 116.7510 53.2835 39.8892 176.0327 84 G 4.2031 8.1321 113.0803 46.6178 0.0000 175.6621 85 R 4.1796 7.2875 117.0466 54.8157 30.0788 176.8408 86 P 4.6903 0.0000 0.0000 63.0907 32.0259 176.3106 87 T 4.3274 7.9950 117.8999 61.5956 68.0851 174.1028 88 Q 4.4976 8.3248 122.4318 55.1531 31.0458 175.3061 89 L 3.9064 7.9862 118.7172 55.4591 41.7711 176.3198 90 P 4.1009 0.0000 0.0000 65.8938 31.3890 178.1247 91 N 4.5607 8.2045 114.7545 56.1198 38.3810 177.2920 92 E 4.0978 8.2930 120.4852 58.9886 29.5892 179.2601 93 V 3.6542 7.7175 117.7747 66.3411 31.6297 177.8244 94 D 4.4632 8.6588 116.9569 56.9969 40.6193 178.3926 95 A 4.2512 7.7407 120.6137 54.7052 18.4569 179.0348 96 A 4.5764 7.7994 118.1221 53.5857 20.5852 178.2216 97 F 5.0370 8.2101 120.4830 55.3328 38.9270 172.4115 98 P 4.5030 0.0000 0.0000 62.1959 32.0660 177.8626 99 L 4.4033 8.7500 121.8779 56.6066 42.0276 176.8616 100 E 4.7018 7.6895 114.6646 53.4626 32.0321 175.2472 101 R 2.0000 7.8773 120.1831 55.4040 29.8967 174.4526 102 P 3.9560 0.0000 0.0000 61.6192 32.7576 175.4336 103 D 4.5278 7.6245 118.2673 52.5980 39.3035 177.1288 104 W 4.4040 7.3726 118.5493 57.5814 30.2491 176.1579 105 D 4.6589 8.5121 122.2070 52.2036 41.2118 176.0143 106 Y 4.3151 8.0443 126.0095 59.6835 38.2091 177.8630 107 T 4.1529 7.7614 110.1430 63.6247 69.4073 175.1092 108 T 4.5672 7.8025 113.2804 60.5299 72.1940 175.4718 109 T 4.0056 8.2672 116.1918 64.7705 67.5398 176.4695 110 E 4.1107 8.1902 119.4187 58.8276 29.4158 179.0609 111 G 3.5729 8.0399 107.0239 47.7221 0.0000 176.0090 112 R 4.0438 7.9224 120.4127 59.0322 30.2415 178.8492 113 N 4.3539 8.0775 116.2261 56.1653 38.4485 177.2747 114 H 3.6417 7.5969 117.3874 58.4734 28.4553 177.4479 115 L 4.0135 7.1486 119.9023 57.9937 41.4470 179.3979 116 V 3.8377 7.5984 117.7814 66.3109 31.2783 177.7670 117 L 3.9508 7.7672 119.1639 58.2461 41.9011 178.0732 118 Y 4.2820 8.5198 119.7915 61.0132 38.7871 178.0995 119 R 4.0537 9.1162 119.9454 59.8638 30.3789 179.0844 120 Q 4.0603 8.4762 117.6417 58.9549 28.6694 178.9504 121 L 4.0269 8.2695 120.4195 57.3672 41.5776 179.2509 122 L 3.7753 8.3424 120.8531 58.0649 42.0910 178.6235 123 L 3.8591 8.0199 120.0551 58.2290 41.9948 178.8520 124 A 4.2504 8.0215 120.6314 54.9589 18.2188 179.8598 125 G 3.3963 7.9089 104.2276 47.8260 0.0000 175.7506 126 L 3.9772 8.0289 122.0024 57.7938 41.6748 179.8300 127 Q 4.0507 8.1005 117.7595 58.9851 28.7693 178.4025 128 N 4.4316 8.2013 116.8655 55.7673 38.5847 177.4720 129 A 4.2008 8.2333 121.8293 54.7898 18.4658 179.8190 130 G 3.5080 8.0315 106.1127 48.5882 0.0000 176.1905 131 R 4.1620 7.8991 125.3071 61.6700 29.4507 179.1366 132 S 4.5094 7.7363 118.6819 58.0806 62.2530 175.6615 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 P 0.00 4.59 0.00 0.49 0.71 0.00 2.64 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.64 0.00 2 L 7.39 5.58 0.00 1.37 1.36 0.88 -0.10 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 3 R 8.17 4.52 0.00 2.26 1.83 0.00 3.00 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 4 L 8.79 4.47 0.00 1.70 1.63 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.92 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 0.00 0.00 0.00 6 G 8.63 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 7 N 8.07 4.50 0.00 2.86 2.96 0.00 0.00 6.17 7.00 0.00 0.00 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 G 8.45 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 9 Q 8.07 4.68 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 10 L 8.58 4.41 0.00 1.63 1.49 0.96 0.91 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 11 Q 9.42 4.68 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 12 Y 8.77 5.13 0.00 2.89 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 13 W 7.40 5.08 0.00 3.13 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 14 P 0.00 4.08 0.00 2.10 2.07 0.00 3.85 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 2.10 2.23 0.00 15 F 8.02 4.11 0.00 2.98 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 16 S 8.81 4.47 0.00 4.00 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 17 S 8.98 3.74 0.00 4.19 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 18 S 8.15 4.07 0.00 3.82 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 19 D 7.56 3.64 0.00 2.21 1.54 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 20 L 6.86 3.59 0.00 1.21 1.21 0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.76 4.39 0.00 2.94 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 22 N 8.18 4.35 0.00 2.62 2.82 0.00 0.00 6.96 7.23 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 23 W 7.74 4.48 0.00 3.44 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 24 K 8.16 4.19 0.00 2.09 2.09 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.55 7.81 25 N 8.12 4.39 0.00 2.92 2.89 0.00 0.00 7.13 7.28 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 26 N 8.57 4.81 0.00 2.77 2.90 0.00 0.00 6.83 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 27 N 7.68 5.13 0.00 2.86 2.71 0.00 0.00 6.91 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 28 P 0.00 4.66 0.00 2.19 2.07 0.00 3.81 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 1.98 1.96 0.00 29 S 8.39 4.35 0.00 4.13 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 0.00 30 F 8.72 4.24 0.00 2.95 3.37 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 31 S 8.53 4.09 0.00 3.90 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 32 E 8.26 4.27 0.00 1.94 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 0.00 2.31 2.29 0.00 33 D 7.81 4.40 0.00 2.73 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 34 P 0.00 4.07 0.00 1.93 0.81 0.00 3.50 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 35 G 8.22 3.71 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 0.00 0.00 0.00 36 K 7.85 4.06 0.00 1.80 1.84 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.63 7.81 37 L 7.89 4.00 0.00 1.88 1.76 1.08 0.73 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 38 T 8.03 3.82 4.28 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 1.25 0.00 0.00 39 A 7.92 3.97 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 40 L 8.12 3.67 0.00 1.68 1.51 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.53 3.41 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.37 0.80 0.00 0.00 42 E 8.47 3.88 0.00 2.00 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 2.28 2.30 0.00 43 S 7.90 3.98 0.00 3.91 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 44 V 7.92 3.54 1.69 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 0.82 0.00 0.00 -0.12 0.00 0.00 45 L 8.30 4.06 0.00 1.79 1.74 0.95 0.88 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 46 T 7.36 4.25 4.25 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 1.23 0.00 0.00 47 T 8.20 4.07 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 1.31 0.00 0.00 48 H 8.25 4.56 0.00 3.53 3.23 0.00 5.90 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 49 Q 7.81 3.64 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 50 P 0.00 4.34 0.00 2.28 2.18 0.00 3.97 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 2.05 0.00 51 T 8.89 4.37 4.38 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 1.36 0.00 0.00 52 W 8.62 3.81 0.00 2.87 2.97 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 0.00 0.00 0.00 53 D 8.40 4.39 0.00 2.81 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 54 D 8.10 4.58 0.00 3.04 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 55 C 8.14 4.32 0.00 3.11 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 56 Q 7.69 3.80 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 57 Q 7.92 3.86 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 58 L 7.78 3.78 0.00 1.77 1.64 0.79 0.33 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 59 L 8.08 3.96 0.00 1.66 1.63 0.91 0.65 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 60 G 8.30 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.76 4.32 4.15 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 0.00 0.00 1.14 0.00 0.00 62 L 7.91 4.35 0.00 1.54 1.71 0.91 1.18 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 63 L 6.99 5.01 0.00 1.62 1.45 0.54 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 64 T 10.03 4.43 4.39 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 1.24 0.00 0.00 65 G 8.53 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 66 E 8.30 4.00 0.00 2.10 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 2.43 2.50 0.00 67 E 8.03 4.06 0.00 2.20 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 2.64 2.43 0.00 68 K 8.53 3.82 0.00 1.72 1.98 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.40 7.81 69 Q 8.57 3.99 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 70 R 8.07 3.88 0.00 2.20 2.01 0.00 3.23 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 71 V 8.06 3.52 2.07 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 0.88 0.00 0.00 0.70 0.00 0.00 72 L 7.95 3.84 0.00 1.76 1.81 1.01 0.70 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 73 L 7.66 3.99 0.00 1.76 1.71 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.04 3.93 0.00 2.05 1.89 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 2.30 2.32 0.00 75 A 7.73 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.47 4.04 0.00 1.79 2.03 0.00 3.43 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 77 K 7.52 4.34 0.00 1.92 1.92 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 78 A 7.46 4.51 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 79 V 7.54 3.61 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 1.10 0.00 0.00 1.03 0.00 0.00 80 R 8.30 4.74 0.00 1.80 1.90 0.00 3.27 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 81 G 8.07 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 0.00 0.00 0.00 82 N 8.61 4.38 0.00 2.84 2.98 0.00 0.00 5.96 8.06 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 83 D 8.06 4.54 0.00 2.81 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 84 G 8.13 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 0.00 0.00 0.00 0.00 85 R 7.29 4.18 0.00 1.69 1.82 0.00 3.27 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 86 P 0.00 4.69 0.00 2.17 2.09 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 87 T 8.00 4.33 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 1.30 0.00 0.00 88 Q 8.32 4.50 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 89 L 7.99 3.91 0.00 1.95 1.68 0.96 0.91 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 90 P 0.00 4.10 0.00 2.18 2.09 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 91 N 8.20 4.56 0.00 2.83 2.90 0.00 0.00 6.98 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 92 E 8.29 4.10 0.00 2.23 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 0.00 2.37 2.34 0.00 93 V 7.72 3.65 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 1.29 0.00 0.00 0.98 0.00 0.00 94 D 8.66 4.46 0.00 2.66 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 95 A 7.74 4.25 1.54 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 0.00 0.00 96 A 7.80 4.58 1.49 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 0.00 0.00 97 F 8.21 5.04 0.00 3.10 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 98 P 0.00 4.50 0.00 2.05 1.98 0.00 4.18 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.25 0.00 99 L 8.75 4.40 0.00 1.76 1.89 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.69 4.70 0.00 1.92 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 2.00 2.05 0.00 101 R 7.88 2.00 0.00 1.21 1.47 0.00 3.36 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.94 0.00 102 P 0.00 3.96 0.00 0.49 0.76 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.62 4.53 0.00 2.68 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 0.00 104 W 7.37 4.40 0.00 3.32 2.97 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 0.00 0.00 0.00 105 D 8.51 4.66 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.04 4.32 0.00 3.06 3.15 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 0.00 0.00 0.00 107 T 7.76 4.15 4.27 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 1.29 0.00 0.00 108 T 7.80 4.57 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 1.25 0.00 0.00 109 T 8.27 4.01 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 1.21 0.00 0.00 110 E 8.19 4.11 0.00 2.16 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 2.34 2.34 0.00 111 G 8.04 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 0.00 112 R 7.92 4.04 0.00 1.89 1.99 0.00 3.16 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 113 N 8.08 4.35 0.00 2.62 2.75 0.00 0.00 6.99 8.14 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 0.00 114 H 7.60 3.64 0.00 2.25 1.31 0.00 5.63 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 0.00 115 L 7.15 4.01 0.00 1.88 1.80 1.17 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.60 3.84 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 1.09 0.00 0.00 0.96 0.00 0.00 117 L 7.77 3.95 0.00 1.91 1.81 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.52 4.28 0.00 3.41 3.34 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 0.00 119 R 9.12 4.05 0.00 2.15 2.06 0.00 3.26 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 120 Q 8.48 4.06 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 121 L 8.27 4.03 0.00 2.11 1.73 1.12 0.79 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 0.00 122 L 8.34 3.78 0.00 1.81 1.80 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.02 3.86 0.00 1.79 1.80 0.91 1.05 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 0.00 124 A 8.02 4.25 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 0.00 125 G 7.91 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.03 3.98 0.00 1.86 1.78 0.60 1.08 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 0.00 127 Q 8.10 4.05 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 128 N 8.20 4.43 0.00 2.81 2.84 0.00 0.00 6.91 7.86 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 0.00 129 A 8.23 4.20 1.50 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 0.00 0.00 130 G 8.03 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.90 4.16 0.00 1.93 1.90 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 132 S 7.74 4.51 0.00 3.66 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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