NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1350 8.1627 120.3246 56.5547 33.4217 180.8555 2 N 3.2889 7.0553 111.7683 53.8824 42.4383 173.2836 3 R 4.1020 8.5507 116.0661 58.7771 33.5391 182.1024 4 G 3.3397 8.3837 102.5986 46.1541 0.0000 174.9824 5 A 3.8495 8.5236 125.6300 55.0127 19.9336 180.8439 6 L 3.7794 8.3631 115.3002 57.9581 42.1765 179.6519 7 I 3.5842 7.4856 119.7530 64.5859 36.9040 177.9205 8 K 3.6420 7.8929 121.4532 58.4000 31.5516 177.3774 9 L 4.5863 7.8519 116.8213 54.6670 41.5388 177.2344 10 V 4.1319 9.3648 118.7425 63.0830 32.1734 176.1480 11 E 4.7918 7.9566 117.3800 56.4783 30.3991 177.9658 12 S 4.5408 7.8083 113.5258 58.8044 62.3183 175.5883 13 R 4.3220 8.9708 123.4436 59.1563 30.5322 177.5902 14 Y 4.2035 8.2096 113.5664 59.5609 38.5475 176.4062 15 V 3.6920 7.5503 111.9998 60.9248 32.3578 174.8651 16 R 4.7886 7.4594 119.4311 55.0700 34.9904 175.4296 17 T 4.5181 7.8701 113.3673 62.0952 67.9491 174.2309 18 D 4.8044 9.1157 121.2996 54.9469 40.9820 174.5639 19 L 3.8078 7.7026 116.2013 54.2644 41.9811 174.7910 20 P 3.9807 0.0000 0.0000 63.0322 31.3321 175.3023 21 E 4.4578 8.3129 121.1508 53.5804 32.4956 176.7817 22 F 4.7965 7.5137 114.3018 57.8006 41.0573 171.1253 23 R 4.7830 8.2938 115.5784 54.1919 32.9324 173.5329 24 P 4.4469 0.0000 0.0000 63.9966 30.0908 175.6441 25 G 3.7693 8.6377 111.6710 44.7619 0.0000 171.3078 26 D 4.4995 8.1142 117.8530 53.8012 40.5016 175.4754 27 T 4.5814 7.4530 115.3287 60.7306 70.5707 172.7512 28 V 4.0524 7.3414 124.3127 62.3641 35.6747 170.9780 29 R 4.4277 8.5680 125.6986 56.3699 33.1547 173.1082 30 V 3.5261 8.4585 116.6786 60.9357 29.7419 173.1506 31 S 4.8910 7.7363 127.1371 57.4455 60.5670 174.2713 32 Y 4.6300 8.4526 112.7193 57.6988 44.0212 173.9809 33 K 3.0400 5.6600 121.8621 55.4642 31.5820 174.6609 34 V 4.5534 7.7797 117.5655 61.7952 34.3452 173.3505 35 K 4.5794 9.1956 124.8708 55.9217 35.6514 177.0989 36 E 3.7431 8.1008 116.1285 57.7657 26.9859 175.7561 37 G 4.2203 8.5689 119.2961 46.6409 0.0000 171.5047 38 N 4.4498 7.6273 120.9168 52.4229 37.6251 176.0930 39 R 4.8347 8.3935 127.6190 56.0597 30.4139 175.4150 40 T 4.6912 7.2519 110.4283 61.9000 70.6784 174.3774 41 R 4.0965 9.3041 120.2627 56.3900 29.1641 176.2859 42 I 4.3655 7.4750 106.4306 60.9743 38.2117 173.6100 43 Q 4.4030 7.7007 130.8871 56.1885 31.4850 174.5745 44 D 4.4682 8.4922 116.5298 53.1208 43.5518 175.1204 45 F 4.1454 8.9408 125.9061 58.7139 40.7110 176.2656 46 E 3.3939 8.5791 126.7625 56.6125 27.7365 181.1329 47 G 3.8146 7.5811 95.0000 45.9896 0.0000 174.1872 48 I 4.1745 7.7513 125.3986 60.1208 39.2644 175.1446 49 V 3.3892 7.3276 116.9942 60.3749 28.7761 175.9671 50 I 3.8004 8.9946 127.3394 63.9160 38.7067 175.7992 51 R 4.5966 8.9623 123.3000 54.0293 32.0674 175.2260 52 I 4.5935 7.9863 129.9113 59.7901 36.2537 174.9556 53 R 4.0577 7.9234 123.7056 56.1992 31.2155 176.5524 54 R 4.3668 8.3984 129.1467 55.3367 31.6853 172.3229 55 N 4.1519 9.1103 117.9297 52.6425 36.3662 174.3934 56 G 3.7629 7.5099 113.0966 45.1943 0.0000 174.0469 57 F 4.1290 8.3965 125.9449 59.8059 40.4589 174.9854 58 N 4.9379 7.9961 118.1144 51.3088 38.7415 172.6072 59 T 4.6052 7.8871 112.1082 59.7069 72.1609 173.7788 60 T 4.8168 7.7196 116.2344 61.9634 73.0899 172.8870 61 F 5.3980 9.8384 120.5953 54.7450 44.2316 173.5888 62 T 5.5254 7.8248 117.2308 62.6352 69.7266 171.2084 63 V 5.1003 7.9807 117.3078 59.8868 36.6824 174.1365 64 R 6.0300 9.6324 121.3517 53.1586 34.4025 172.5587 65 K 4.6956 8.9671 126.3180 55.3501 34.4396 175.5877 66 V 4.9291 7.9625 130.2852 62.6222 29.5446 177.3047 67 S 3.9919 7.9040 118.6246 59.8898 60.7256 174.2182 68 Y 4.4621 8.1963 119.3031 59.5149 37.1740 172.0524 69 G 3.6793 9.0561 108.2135 46.5545 0.0000 174.1731 70 V 4.0733 6.9979 117.0114 60.8821 35.4004 172.5713 71 G 4.0961 8.5453 109.9841 46.5295 0.0000 172.8627 72 V 3.3812 7.5402 122.1117 62.9634 31.1103 175.6681 73 E 4.4452 7.6736 133.0611 55.3292 28.5338 177.9688 74 R 3.5904 7.5635 118.5490 57.0200 30.9788 176.8338 75 I 4.8596 7.5128 124.4030 59.2576 38.7060 175.2429 76 F 5.1712 9.6137 124.8526 54.1462 43.5090 173.9524 77 P 5.2856 0.0000 0.0000 61.6525 29.9925 177.0072 78 L 4.0093 8.6666 125.7329 59.3616 43.9708 174.7892 79 H 3.7660 8.7892 114.0811 59.5116 29.0317 177.9920 80 S 3.6420 7.7739 120.2678 61.8555 63.6243 173.0663 81 P 3.8990 0.0000 0.0000 65.2209 31.0883 177.1396 82 L 4.5519 7.9315 116.5381 53.8738 42.6149 175.4811 83 I 4.2683 7.2694 111.9300 61.7372 39.6032 177.1083 84 Q 4.5124 7.1947 117.7619 54.3280 29.1191 174.0219 85 K 5.0932 7.6241 118.8302 56.8561 32.1801 177.2249 86 I 4.6355 8.0875 126.4372 59.4447 39.5275 175.3669 87 D 4.1630 8.8199 124.8855 54.1615 40.0048 175.3828 88 I 3.6244 8.0019 119.4366 62.9141 36.6173 176.6945 89 V 4.2464 8.6102 124.8948 64.2584 33.0065 176.2771 90 Q 2.8009 7.6116 110.5888 56.5769 28.4757 173.5256 91 R 4.5419 7.8143 118.3398 55.1460 32.8473 176.3840 92 G 3.7926 8.5334 105.2714 44.7558 0.0000 175.1307 93 R 3.9776 8.4062 116.5644 55.4636 28.9430 171.6499 94 A 3.6482 7.4306 125.0225 52.3737 19.4720 176.7905 95 R 4.5948 8.4549 121.2388 57.5945 33.1882 175.5056 96 R 4.3192 6.6166 115.5245 55.3236 35.1893 176.1027 97 A 4.7264 8.0391 111.5900 52.3889 20.1042 178.7811 98 K 4.7576 7.8094 120.8802 53.9331 33.1333 175.0972 99 L 4.2443 8.3615 121.3272 54.6540 43.1973 174.9034 100 Y 4.8716 8.8186 120.0463 58.1786 41.6341 177.1239 101 F 4.4276 11.3800 121.0105 60.5184 39.1464 178.4109 102 I 3.5829 7.8522 114.6985 63.7877 36.9958 177.9043 103 R 3.9211 8.0460 118.3558 57.5212 29.2512 175.6521 104 N 4.8456 7.9039 113.0549 54.5481 39.0752 175.5863 105 L 4.4602 8.6617 118.0028 53.6904 41.6798 177.1277 106 S 4.2367 8.2520 115.4364 58.5546 63.7428 174.1631 107 D 4.7116 8.6804 125.5444 52.9153 41.3980 178.5105 108 R 3.9203 8.7223 113.6592 59.7409 29.3223 177.8825 109 E 4.1327 8.2856 119.5055 58.8617 29.5156 179.6487 110 I 3.7238 7.6312 118.9314 64.4593 37.2063 178.3114 111 R 4.1170 8.4072 114.3320 57.2829 29.6357 177.0814 112 R 4.4126 7.4179 119.4599 56.5879 31.5090 176.0821 113 K 4.0332 7.6786 119.9517 57.3101 32.6451 176.3568 114 L 4.5029 7.4703 120.7086 53.8806 42.8953 174.9258 115 R 4.3469 7.3386 115.4025 55.5370 33.4293 176.8781 116 A 4.2723 6.8957 120.3770 52.1156 22.0137 174.6057 117 D 4.8597 7.8688 117.1667 52.7441 44.3774 176.1916 118 R 3.9762 8.5066 125.6321 59.1675 31.1240 177.6152 119 K 4.3837 7.5598 117.2581 54.5869 31.3902 175.6585 120 R 4.3234 7.1969 120.8841 55.9179 34.0263 173.9746 121 I 4.1868 7.1758 116.8540 62.1017 38.5558 175.6242 122 D 4.6917 7.6197 117.7009 54.4720 41.5380 178.5360 123 K 4.0471 7.7365 120.9384 60.0601 33.0133 178.2412 124 D 4.6199 7.9743 116.5290 54.9211 41.1229 177.5020 125 R 4.3310 7.6498 118.5085 58.1353 30.9908 178.3090 126 A 3.9893 7.6633 120.0209 54.5592 18.5313 178.1547 127 A 4.3106 8.0874 116.9839 53.1249 19.6367 177.0248 128 E 3.7028 7.9117 114.0901 55.2183 28.6716 177.5983 129 R 4.4115 8.5153 126.2513 56.9545 30.2569 176.1522 130 A 4.6181 7.7864 116.3459 51.2870 19.3409 177.8318 131 A 4.1840 7.7349 120.8722 52.8218 19.0279 178.4485 132 K 4.1894 8.3979 119.2767 57.0917 33.8920 178.4985 133 E 4.7468 7.9132 121.5108 55.7757 28.9842 178.8424 134 E 4.2411 9.2593 114.6835 56.3817 30.8777 174.7497 135 V 4.2227 7.8763 120.6442 61.9477 31.2819 178.7644 136 Q 4.3133 8.8972 124.8473 54.2959 28.1653 174.4448 137 K 4.1555 8.3791 125.1594 56.2725 32.3083 175.8747 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 8.16 4.13 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 2 N 7.06 3.29 0.00 2.83 3.08 0.00 0.00 6.93 6.77 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 3 R 8.55 4.10 0.00 1.87 1.92 0.00 3.40 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 4 G 8.38 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 0.00 0.00 0.00 5 A 8.52 3.85 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 6 L 8.36 3.78 0.00 1.74 1.83 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.49 3.58 2.03 0.00 0.00 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 1.34 0.90 0.84 0.00 0.00 8 K 7.89 3.64 0.00 1.67 1.96 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.19 7.81 9 L 7.85 4.59 0.00 1.79 1.71 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.36 4.13 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 0.79 0.00 0.00 0.99 0.00 0.00 11 E 7.96 4.79 0.00 2.42 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 2.13 2.26 0.00 12 S 7.81 4.54 0.00 4.09 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 0.00 13 R 8.97 4.32 0.00 2.02 2.06 0.00 3.36 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 14 Y 8.21 4.20 0.00 2.88 3.03 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 15 V 7.55 3.69 1.63 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 0.20 0.00 0.00 0.82 0.00 0.00 16 R 7.46 4.79 0.00 1.79 1.79 0.00 3.13 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 17 T 7.87 4.52 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 1.20 0.00 0.00 18 D 9.12 4.80 0.00 2.83 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 19 L 7.70 3.81 0.00 1.54 1.47 0.78 0.93 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 20 P 0.00 3.98 0.00 1.77 1.91 0.00 3.49 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 21 E 8.31 4.46 0.00 1.97 1.80 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 2.10 2.23 0.00 22 F 7.51 4.80 0.00 3.07 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 23 R 8.29 4.78 0.00 1.90 2.00 0.00 3.09 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 24 P 0.00 4.45 0.00 2.00 1.94 0.00 3.72 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 2.19 2.08 0.00 25 G 8.64 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 26 D 8.11 4.50 0.00 2.71 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 27 T 7.45 4.58 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 1.16 0.00 0.00 28 V 7.34 4.05 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 0.74 0.00 0.00 0.87 0.00 0.00 29 R 8.57 4.43 0.00 1.88 2.03 0.00 3.39 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.00 30 V 8.46 3.53 2.05 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 0.87 0.00 0.00 0.90 0.00 0.00 31 S 7.74 4.89 0.00 3.76 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 32 Y 8.45 4.63 0.00 3.10 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 33 K 5.66 3.04 0.00 1.98 1.66 0.00 1.74 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.13 1.16 7.81 34 V 7.78 4.55 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 0.82 0.00 0.00 1.19 0.00 0.00 35 K 9.20 4.58 0.00 1.89 1.83 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 36 E 8.10 3.74 0.00 2.15 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 0.00 2.26 2.36 0.00 37 G 8.57 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 0.00 0.00 0.00 0.00 38 N 7.63 4.45 0.00 2.92 3.00 0.00 0.00 7.04 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 39 R 8.39 4.83 0.00 1.85 2.01 0.00 3.17 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 40 T 7.25 4.69 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 41 R 9.30 4.10 0.00 1.98 2.01 0.00 3.40 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 42 I 7.48 4.37 1.88 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 1.33 0.26 0.96 0.00 0.00 43 Q 7.70 4.40 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 44 D 8.49 4.47 0.00 2.54 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.94 4.15 0.00 3.06 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 46 E 8.58 3.39 0.00 1.64 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 0.00 0.00 0.00 2.05 2.00 0.00 47 G 7.58 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 0.00 0.00 0.00 48 I 7.75 4.17 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.95 0.00 0.00 49 V 7.33 3.39 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 0.58 0.00 0.00 0.93 0.00 0.00 50 I 8.99 3.80 1.96 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 1.09 1.35 1.01 0.00 0.00 51 R 8.96 4.60 0.00 1.88 1.81 0.00 3.13 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 52 I 7.99 4.59 1.93 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 1.28 0.93 0.95 0.00 0.00 53 R 7.92 4.06 0.00 1.92 1.87 0.00 3.23 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 54 R 8.40 4.37 0.00 1.83 1.87 0.00 3.38 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 55 N 9.11 4.15 0.00 2.73 3.05 0.00 0.00 6.85 7.98 0.00 0.00 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 7.51 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 0.00 0.00 0.00 57 F 8.40 4.13 0.00 3.04 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 58 N 8.00 4.94 0.00 2.87 2.75 0.00 0.00 6.84 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 59 T 7.89 4.61 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 1.20 0.00 0.00 60 T 7.72 4.82 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 1.42 0.00 0.00 61 F 9.84 5.40 0.00 3.02 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 62 T 7.82 5.53 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 1.32 0.00 0.00 63 V 7.98 5.10 2.22 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 0.96 0.00 0.00 1.05 0.00 0.00 64 R 9.63 6.03 0.00 1.99 1.79 0.00 3.58 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.41 0.00 65 K 8.97 4.70 0.00 1.91 2.17 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.17 1.36 7.81 66 V 7.96 4.93 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 1.01 0.00 0.00 0.96 0.00 0.00 67 S 7.90 3.99 0.00 4.49 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 68 Y 8.20 4.46 0.00 3.16 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 69 G 9.06 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.00 4.07 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 0.79 0.00 0.00 0.91 0.00 0.00 71 G 8.55 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 0.00 0.00 0.00 0.00 72 V 7.54 3.38 0.67 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 -0.02 0.00 0.00 0.65 0.00 0.00 73 E 7.67 4.45 0.00 1.77 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 2.31 2.19 0.00 74 R 7.56 3.59 0.00 2.12 2.28 0.00 2.54 0.00 0.00 2.69 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.12 0.00 75 I 7.51 4.86 1.75 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 1.35 1.10 0.98 0.00 0.00 76 F 9.61 5.17 0.00 2.85 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 77 P 0.00 5.29 0.00 2.15 1.64 0.00 4.03 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 78 L 8.67 4.01 0.00 1.53 1.52 1.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.79 3.77 0.00 3.31 3.31 0.00 5.83 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.77 3.64 0.00 3.84 3.89 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 81 P 0.00 3.90 0.00 1.65 1.11 0.00 3.90 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 1.87 1.89 0.00 82 L 7.93 4.55 0.00 1.46 1.53 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.27 4.27 1.85 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 1.53 0.61 0.91 0.00 0.00 84 Q 7.19 4.51 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.21 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 85 K 7.62 5.09 0.00 1.52 1.72 0.00 1.47 0.00 0.00 2.04 0.00 0.00 2.66 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.87 1.14 7.81 86 I 8.09 4.64 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 1.40 0.95 0.00 0.00 87 D 8.82 4.16 0.00 2.76 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 88 I 8.00 3.62 2.09 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.45 0.87 0.00 0.00 89 V 8.61 4.25 2.05 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 0.76 0.00 0.00 0.91 0.00 0.00 90 Q 7.61 2.80 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.47 0.00 0.00 0.00 0.00 0.00 2.11 2.60 0.00 91 R 7.81 4.54 0.00 2.17 2.16 0.00 2.95 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 92 G 8.53 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.98 0.00 2.25 2.07 0.00 3.21 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.80 0.00 94 A 7.43 3.65 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 95 R 8.45 4.59 0.00 1.75 1.93 0.00 3.47 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 96 R 6.62 4.32 0.00 1.95 1.09 0.00 3.24 0.00 0.00 3.30 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 97 A 8.04 4.73 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 98 K 7.81 4.76 0.00 1.89 2.15 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 2.05 7.81 99 L 8.36 4.24 0.00 1.58 1.60 1.06 0.65 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 0.00 100 Y 8.82 4.87 0.00 3.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 11.38 4.43 0.00 3.24 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 0.00 102 I 7.85 3.58 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.54 0.59 0.00 0.00 103 R 8.05 3.92 0.00 1.93 2.36 0.00 3.03 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 104 N 7.90 4.85 0.00 2.89 3.07 0.00 0.00 6.29 6.67 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 0.00 105 L 8.66 4.46 0.00 1.70 1.88 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.25 4.24 0.00 3.99 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 0.00 107 D 8.68 4.71 0.00 3.05 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 0.00 108 R 8.72 3.92 0.00 1.99 2.16 0.00 3.07 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 109 E 8.29 4.13 0.00 2.27 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 2.37 2.52 0.00 110 I 7.63 3.72 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.29 0.87 0.00 0.00 111 R 8.41 4.12 0.00 1.74 1.97 0.00 3.28 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 112 R 7.42 4.41 0.00 1.82 2.07 0.00 3.28 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 113 K 7.68 4.03 0.00 1.83 1.69 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.45 7.81 114 L 7.47 4.50 0.00 1.62 1.60 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.34 4.35 0.00 1.74 1.79 0.00 3.40 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 116 A 6.90 4.27 1.17 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 0.00 0.00 117 D 7.87 4.86 0.00 2.68 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.98 0.00 1.88 1.94 0.00 3.33 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 119 K 7.56 4.38 0.00 1.81 1.86 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.52 7.81 120 R 7.20 4.32 0.00 1.76 1.98 0.00 3.14 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 121 I 7.18 4.19 2.01 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 1.51 1.26 0.97 0.00 0.00 122 D 7.62 4.69 0.00 2.75 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 0.00 123 K 7.74 4.05 0.00 1.98 2.06 0.00 1.53 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.53 7.81 124 D 7.97 4.62 0.00 2.66 2.77 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 0.00 125 R 7.65 4.33 0.00 1.81 1.95 0.00 3.29 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 126 A 7.66 3.99 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 0.00 127 A 8.09 4.31 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 0.00 128 E 7.91 3.70 0.00 2.20 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 2.42 2.31 0.00 129 R 8.52 4.41 0.00 1.77 1.95 0.00 3.25 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 130 A 7.79 4.62 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 0.00 131 A 7.73 4.18 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 0.00 132 K 8.40 4.19 0.00 1.75 1.79 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.45 7.81 133 E 7.91 4.75 0.00 1.84 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 0.00 0.00 0.00 2.17 2.36 0.00 134 E 9.26 4.24 0.00 1.99 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 2.31 2.30 0.00 135 V 7.88 4.22 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 0.00 136 Q 8.90 4.31 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 137 K 8.38 4.16 0.00 1.73 1.64 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81