NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1873 8.1727 122.0581 56.3358 34.1503 174.1579 2 V 4.5151 8.2079 127.0514 61.0407 32.0147 173.6080 3 Y 4.2448 9.0344 126.7333 57.7540 39.1442 175.1237 4 D 4.3691 8.7220 122.0474 53.9202 42.4396 177.0343 5 R 3.2557 8.5357 124.9574 59.9484 29.9597 179.6700 6 C 4.3200 8.1289 115.5098 59.7012 37.6149 175.4474 7 E 3.8795 8.6565 121.2764 59.1192 29.1367 178.7211 8 L 3.7689 8.3379 120.4740 58.0257 42.1722 178.5345 9 A 4.0195 8.0635 120.7829 55.4417 18.2268 179.8589 10 R 3.8491 8.3704 116.4164 59.4255 30.0523 179.1873 11 A 3.9930 8.0068 120.5451 55.0488 18.3397 179.7771 12 L 3.8221 8.1257 117.6757 57.6839 41.6366 179.4999 13 K 3.8819 8.1846 119.3855 59.6231 31.9501 178.6794 14 A 4.0646 8.0150 119.6140 54.6729 18.2905 178.7288 15 S 4.5450 7.4555 111.4211 57.9781 63.1034 174.8705 16 G 3.9038 7.6581 109.3280 46.4617 0.0000 175.1587 17 M 3.7383 7.8872 121.1923 56.8891 32.0659 175.7019 18 D 4.4686 7.8914 117.6510 57.3211 40.5814 175.6523 19 G 4.0285 9.3135 115.9756 44.9091 0.0000 171.1494 20 Y 4.0746 8.2787 121.8054 58.5940 38.9368 175.7736 21 A 3.3102 8.8960 129.7284 53.1934 16.3059 177.3301 22 G 3.7653 8.2510 104.6016 47.5324 0.0000 174.3115 23 N 4.6405 7.9877 118.4615 50.7856 38.8348 175.0437 24 S 4.7160 8.3231 118.3925 57.7353 64.2025 174.9592 25 L 4.2005 9.3926 124.2353 58.5507 41.7037 177.8966 26 P 4.4500 0.0000 0.0000 65.4642 31.1880 178.3197 27 N 4.3652 8.1678 115.5767 56.2269 38.5124 177.4401 28 W 4.1498 7.7797 119.7396 59.6404 29.2425 178.7524 29 V 3.7907 8.0249 118.3382 66.0573 31.0747 177.1996 30 C 3.4245 8.0884 118.4939 59.4101 43.6346 175.6322 31 L 4.0629 8.0285 121.3390 58.8580 39.9909 179.3917 32 S 4.2814 8.0751 115.6201 61.2049 62.8676 176.3570 33 K 2.5812 7.8264 122.1630 59.1455 31.6425 178.8880 34 W 4.1063 7.6264 117.3713 59.3668 29.0605 178.4075 35 E 4.3553 8.4762 118.5116 58.7105 29.4046 177.8609 36 S 4.5642 7.8439 109.5618 56.7558 64.3460 174.2068 37 S 3.5758 8.2971 115.6089 60.0747 60.6651 171.7448 38 Y 3.6802 7.1907 114.0125 58.9004 35.7867 168.5561 39 N 5.3237 7.7962 119.4941 51.9342 39.8941 175.9974 40 T 4.0081 8.7189 117.0343 64.3826 68.9995 175.5926 41 Q 4.3907 8.0677 118.8892 55.6264 29.2309 175.5531 42 A 4.3683 7.7738 122.1436 52.2639 19.4229 177.1432 43 T 5.3425 8.2345 110.6228 59.0174 72.5113 173.1642 44 N 4.7831 8.1740 121.7683 52.3540 42.1254 173.0135 45 R 4.5945 8.6630 127.2182 56.1363 31.4848 175.2364 46 N 5.0431 9.5021 124.2124 51.4803 41.2137 176.1550 47 T 3.8638 8.6035 110.5793 64.9497 68.7463 174.9505 48 D 4.4729 7.9825 118.4398 53.6222 39.6568 176.9288 49 G 3.9351 8.1882 109.2981 45.1150 0.0000 173.8641 50 S 4.7421 8.4511 115.1612 57.8306 65.6057 173.2589 51 T 4.9921 8.9305 116.1968 61.9433 72.7627 172.8201 52 D 5.4724 8.9949 125.1249 53.2723 43.2375 175.1021 53 Y 4.9440 8.9042 120.3596 57.4717 41.7671 177.1892 54 G 4.4073 8.9450 112.2334 46.1322 0.0000 173.2865 55 I 3.5045 8.2294 117.4224 63.6728 37.8175 177.3532 56 F 4.8694 7.8471 115.3716 56.7123 39.8265 175.2095 57 Q 3.5572 7.9032 119.3996 57.0595 26.7672 174.4199 58 I 4.1425 8.1169 118.7401 61.3579 39.0912 176.8810 59 N 5.4553 9.1332 125.8550 53.4610 39.8958 175.5033 60 S 4.6320 9.0870 120.1590 60.1426 63.4922 175.3085 61 R 3.7809 8.8823 122.6005 58.7948 30.3934 177.6233 62 Y 4.1180 7.8658 114.9872 57.8347 40.3482 176.8764 63 W 4.9506 8.0969 118.6087 57.3751 31.3700 173.8860 64 C 5.5835 8.1228 111.8411 53.7783 46.2911 172.9545 65 D 4.8709 9.4163 120.5623 52.9393 41.9106 176.2320 66 D 4.7626 8.7659 124.1029 52.3416 40.0557 176.6704 67 G 3.9667 8.3895 106.6273 46.4992 0.0000 174.5570 68 R 4.6061 8.3852 112.6258 55.7177 30.6458 174.5360 69 T 4.4760 7.8492 115.4478 61.1826 69.8554 172.5508 70 P 4.2027 0.0000 0.0000 63.7422 31.6961 176.2823 71 G 3.6747 8.6802 111.6820 46.3896 0.0000 173.2037 72 A 4.8845 7.8062 120.9465 50.7925 19.3242 178.4426 73 K 4.1979 8.2365 119.4481 55.4182 34.6210 175.9579 74 N 4.1331 7.9790 116.5823 54.6299 36.9373 174.6228 75 V 3.7001 8.2777 119.9819 66.0939 32.3216 176.3070 76 C 4.5321 8.6980 115.7557 57.3489 40.4121 173.3938 77 G 3.8282 7.9182 107.7676 46.5020 0.0000 173.0131 78 I 4.7193 8.1857 111.1599 58.5883 41.5655 174.1964 79 R 4.6343 8.5394 119.6733 55.4890 30.9552 177.7346 80 C 4.0713 8.6689 119.9576 59.7694 36.1398 176.5368 81 S 3.9777 7.9635 115.6140 61.7331 62.0620 176.3363 82 Q 4.1688 7.7852 119.4539 57.6995 28.2561 177.4241 83 L 4.4353 7.9596 119.3176 55.1034 41.7573 177.4387 84 L 5.0327 7.5542 118.2579 54.4898 42.3911 176.8014 85 T 4.2839 7.6261 109.0670 61.0870 69.7021 174.5008 86 D 4.4993 8.6035 122.6736 57.3055 41.1083 176.9563 87 D 4.4973 7.9829 118.8905 54.1903 41.6290 176.2084 88 L 4.3039 8.5274 125.6357 55.4615 42.0378 178.5036 89 T 3.8181 7.6534 117.3390 67.0296 68.4609 176.2582 90 V 3.5943 7.7529 118.8967 65.7454 31.6606 177.6450 91 A 4.0965 7.9811 120.0900 55.3203 18.2482 179.5062 92 I 3.5408 8.3415 118.5672 64.5445 37.0621 178.6506 93 R 3.7037 7.9244 119.5071 59.4567 29.7718 177.7981 94 C 4.2108 8.4215 118.1574 59.5463 42.4464 175.3033 95 A 3.8827 8.3427 122.8063 55.0985 17.5799 179.7132 96 K 3.5410 7.6134 116.3348 59.3520 32.3674 179.2773 97 R 4.0291 7.5623 118.8320 59.2901 30.1836 178.4878 98 V 2.3834 7.4022 118.1603 65.8927 31.4833 178.2985 99 V 3.9230 7.9247 110.8547 63.4159 31.1896 177.9675 100 L 4.2774 7.6775 117.5765 55.8043 41.9385 176.9285 101 D 4.6955 7.4930 118.8013 53.0130 41.6467 175.3001 102 P 4.1986 0.0000 0.0000 66.2422 31.4329 177.7460 103 N 4.4879 8.2618 113.3887 53.3950 39.9926 176.3069 104 G 3.9970 8.1315 108.8072 47.3346 0.0000 175.3804 105 I 3.9642 7.8766 120.0269 62.5625 38.0247 177.6637 106 G 3.9493 7.6527 107.6056 47.3105 0.0000 174.7019 107 A 3.8956 7.7265 122.9352 54.1524 18.7491 178.3724 108 W 4.5642 8.1768 116.9030 55.4666 30.0999 177.2119 109 V 3.6815 8.6730 124.0730 66.2801 30.9948 177.7232 110 A 4.1343 8.3219 120.2880 54.7675 18.1525 179.4825 111 W 3.9589 8.3865 126.5067 60.7520 30.7286 178.0359 112 R 3.7898 7.9048 116.1997 59.2825 29.5913 178.5641 113 L 3.8605 7.6627 118.5512 57.9217 42.3947 177.8818 114 H 4.3022 7.7771 113.0702 55.7418 29.6355 174.9076 115 C 4.5358 7.1521 117.2511 57.4948 42.6541 174.2148 116 Q 3.1313 6.7775 120.2595 57.2300 28.6378 175.8929 117 N 4.1525 8.5581 119.9248 54.0005 36.2920 173.8718 118 Q 4.3755 7.4313 116.9334 54.2844 30.6424 174.6115 119 D 4.6467 8.4162 118.9861 53.6408 41.4477 175.6425 120 L 4.9801 8.4283 125.6640 54.7143 42.3966 178.4428 121 R 4.0226 7.9449 120.8444 59.4618 30.3725 179.2090 122 S 4.1413 8.1355 111.7286 61.3453 62.9922 175.9600 123 Y 4.0828 7.9994 118.0436 60.0403 37.8635 176.8803 124 V 4.3391 7.7427 110.5124 60.4649 32.8200 175.2517 125 A 4.1543 7.4484 123.9298 53.6363 18.4104 178.3294 126 G 3.9525 8.9416 110.5802 45.9974 0.0000 174.7717 127 C 4.4140 8.1924 116.9902 56.6824 40.7141 174.0326 128 G 3.9196 8.1915 106.8609 46.5577 0.0000 174.0061 129 V 4.0359 7.7447 117.8710 61.2375 32.6810 175.6647 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 K 8.17 4.19 0.00 1.90 1.77 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 1.13 7.81 2 V 8.21 4.52 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 0.91 0.00 0.00 0.96 0.00 0.00 3 Y 9.03 4.24 0.00 2.84 2.80 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 4 D 8.72 4.37 0.00 2.78 2.61 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 5 R 8.54 3.26 0.00 1.69 1.81 0.00 3.46 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 1.74 1.79 0.00 6 C 8.13 4.32 0.00 3.11 3.10 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 0.00 7 E 8.66 3.88 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 8 L 8.34 3.77 0.00 1.65 1.68 0.46 1.06 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 9 A 8.06 4.02 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 10 R 8.37 3.85 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 11 A 8.01 3.99 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 12 L 8.13 3.82 0.00 1.82 1.64 1.04 0.73 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 13 K 8.18 3.88 0.00 1.94 2.05 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.51 7.81 14 A 8.01 4.06 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 15 S 7.46 4.54 0.00 3.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.66 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 17 M 7.89 3.74 0.00 1.01 1.88 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 18 D 7.89 4.47 0.00 2.68 2.67 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 19 G 9.31 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.28 4.07 0.00 3.24 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 21 A 8.90 3.31 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 22 G 8.25 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.99 4.64 0.00 3.07 2.12 0.00 0.00 6.78 7.69 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 24 S 8.32 4.72 0.00 4.07 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 25 L 9.39 4.20 0.00 2.01 1.84 1.03 1.09 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 26 P 0.00 4.45 0.00 2.30 2.43 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 27 N 8.17 4.37 0.00 2.58 2.43 0.00 0.00 6.88 7.70 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 28 W 7.78 4.15 0.00 3.52 3.13 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 29 V 8.02 3.79 2.26 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 1.35 0.00 0.00 1.12 0.00 0.00 30 C 8.09 3.42 0.00 2.00 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 31 L 8.03 4.06 0.00 2.06 2.07 0.47 -0.23 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 32 S 8.08 4.28 0.00 4.22 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 33 K 7.83 2.58 0.00 1.64 1.50 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.63 1.39 7.81 34 W 7.63 4.11 0.00 3.43 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 35 E 8.48 4.36 0.00 2.09 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 2.70 2.74 0.00 36 S 7.84 4.56 0.00 4.10 4.21 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 37 S 8.30 3.58 0.00 4.01 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 38 Y 7.19 3.68 0.00 3.20 3.10 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 0.00 39 N 7.80 5.32 0.00 2.81 2.84 0.00 0.00 6.98 8.40 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 40 T 8.72 4.01 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 1.43 0.00 0.00 41 Q 8.07 4.39 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 42 A 7.77 4.37 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 43 T 8.23 5.34 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 1.13 0.00 0.00 44 N 8.17 4.78 0.00 2.80 2.76 0.00 0.00 6.75 7.65 0.00 0.00 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 R 8.66 4.59 0.00 1.82 1.79 0.00 3.32 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 46 N 9.50 5.04 0.00 2.92 2.72 0.00 0.00 6.59 6.93 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 47 T 8.60 3.86 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 1.22 0.00 0.00 48 D 7.98 4.47 0.00 2.80 2.83 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 0.00 0.00 0.00 0.00 49 G 8.19 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 50 S 8.45 4.74 0.00 3.93 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 51 T 8.93 4.99 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 0.61 0.00 0.00 52 D 8.99 5.47 0.00 2.68 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 53 Y 8.90 4.94 0.00 3.04 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 54 G 8.95 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 0.00 0.00 0.00 0.00 55 I 8.23 3.50 1.58 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 -0.37 0.00 0.00 56 F 7.85 4.87 0.00 3.36 3.30 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 57 Q 7.90 3.56 0.00 2.53 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.83 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 58 I 8.12 4.14 2.11 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 1.09 0.00 0.00 59 N 9.13 5.46 0.00 3.04 3.00 0.00 0.00 6.98 7.38 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 60 S 9.09 4.63 0.00 4.03 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 0.00 61 R 8.88 3.78 0.00 1.70 1.42 0.00 2.99 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.16 0.00 62 Y 7.87 4.12 0.00 1.83 1.72 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 63 W 8.10 4.95 0.00 3.51 3.23 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 64 C 8.12 5.58 0.00 2.98 3.07 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 65 D 9.42 4.87 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 4.76 0.00 2.82 2.55 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 67 G 8.39 3.97 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 0.00 0.00 0.00 68 R 8.39 4.61 0.00 1.90 1.96 0.00 3.07 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 69 T 7.85 4.48 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 1.16 0.00 0.00 70 P 0.00 4.20 0.00 2.14 2.05 0.00 3.84 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 1.95 1.94 0.00 71 G 8.68 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 0.00 0.00 0.00 72 A 7.81 4.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.24 4.20 0.00 1.59 1.76 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.19 7.81 74 N 7.98 4.13 0.00 2.85 2.71 0.00 0.00 6.86 7.71 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 75 V 8.28 3.70 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 1.13 0.00 0.00 0.78 0.00 0.00 76 C 8.70 4.53 0.00 3.31 3.20 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 77 G 7.92 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.19 4.72 1.99 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 1.35 0.96 0.99 0.00 0.00 79 R 8.54 4.63 0.00 1.84 1.82 0.00 3.26 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 80 C 8.67 4.07 0.00 2.12 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 81 S 7.96 3.98 0.00 4.04 4.11 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 82 Q 7.79 4.17 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 83 L 7.96 4.44 0.00 1.94 1.81 1.04 0.46 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 84 L 7.55 5.03 0.00 1.80 1.74 1.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.63 4.28 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 1.23 0.00 0.00 86 D 8.60 4.50 0.00 2.71 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 87 D 7.98 4.50 0.00 2.64 2.61 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 88 L 8.53 4.30 0.00 1.71 1.61 0.78 0.30 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 89 T 7.65 3.82 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 1.19 0.00 0.00 90 V 7.75 3.59 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 1.06 0.00 0.00 0.93 0.00 0.00 91 A 7.98 4.10 1.40 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 92 I 8.34 3.54 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.64 0.00 0.00 93 R 7.92 3.70 0.00 1.91 2.02 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 94 C 8.42 4.21 0.00 3.06 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 95 A 8.34 3.88 0.83 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 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.61 3.54 0.00 1.51 1.19 0.00 1.23 0.00 0.00 0.63 0.00 0.00 2.33 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.92 7.81 97 R 7.56 4.03 0.00 1.88 2.04 0.00 3.25 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 1.79 1.82 0.00 98 V 7.40 2.38 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 -0.17 0.00 0.00 -0.57 0.00 0.00 99 V 7.92 3.92 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 1.17 0.00 0.00 1.45 0.00 0.00 100 L 7.68 4.28 0.00 1.85 1.78 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.49 4.70 0.00 3.09 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.02 2.14 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 103 N 8.26 4.49 0.00 2.71 2.82 0.00 0.00 7.06 7.60 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 0.00 104 G 8.13 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 0.00 105 I 7.88 3.96 1.17 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 0.19 0.43 -0.78 0.00 0.00 106 G 7.65 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 0.00 107 A 7.73 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.18 4.56 0.00 3.76 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 3.68 2.19 0.00 0.00 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 1.00 0.00 0.00 110 A 8.32 4.13 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 0.00 111 W 8.39 3.96 0.00 3.39 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 0.00 112 R 7.90 3.79 0.00 2.07 2.02 0.00 3.34 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 113 L 7.66 3.86 0.00 1.67 1.20 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.78 4.30 0.00 2.20 1.96 0.00 5.84 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 C 7.15 4.54 0.00 2.00 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 0.00 116 Q 6.78 3.13 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.34 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 117 N 8.56 4.15 0.00 2.77 2.83 0.00 0.00 7.00 7.69 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 0.00 118 Q 7.43 4.38 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 119 D 8.42 4.65 0.00 2.63 2.61 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 0.00 120 L 8.43 4.98 0.00 1.86 1.86 0.96 1.06 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 0.00 121 R 7.94 4.02 0.00 2.25 2.02 0.00 3.33 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 122 S 8.14 4.14 0.00 3.76 4.03 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 0.00 0.00 0.00 0.00 123 Y 8.00 4.08 0.00 3.28 3.23 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 0.00 124 V 7.74 4.34 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 0.84 0.00 0.00 1.01 0.00 0.00 125 A 7.45 4.15 1.32 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 0.00 0.00 0.00 126 G 8.94 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 0.00 127 C 8.19 4.41 0.00 3.12 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 0.00 128 G 8.19 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 0.00 129 V 7.74 4.04 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 0.75 0.00 0.00 0.96 0.00 0.00