NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1551 8.3344 116.7746 58.0639 65.0205 173.4397 5 V 3.7781 7.4773 123.5148 60.7268 31.4372 170.2908 6 V 4.1356 8.9281 128.5610 61.8226 33.8948 174.6116 7 K 4.7486 8.0970 123.3450 54.3213 35.5796 177.2775 8 S 4.1949 8.9261 118.2026 62.1183 62.7596 176.5060 9 E 4.3119 8.1898 113.0759 57.2426 29.3591 176.5592 10 D 4.6543 7.9126 118.7660 54.2939 41.3613 177.6748 11 Y 4.1563 7.4694 118.7549 60.0272 37.7393 177.6368 12 A 4.1931 7.1523 120.5972 53.0419 18.8635 176.7482 13 L 4.7369 7.2265 115.4493 51.6487 44.0284 174.7533 14 P 4.2929 0.0000 0.0000 63.0370 31.6558 176.0226 15 S 4.8313 8.3907 115.9520 56.4648 65.9700 172.2141 16 Y 4.5537 8.3032 120.9863 56.3258 39.8063 174.8922 17 V 4.2789 6.7649 117.7762 59.8338 35.6428 175.0195 18 D 4.6429 8.4435 123.6005 52.5753 40.6859 175.3603 19 R 4.5174 7.7846 123.3127 53.8894 33.1988 176.1821 20 R 3.4620 8.7084 124.3310 59.0573 30.1696 177.0722 21 D 4.8270 7.9750 114.0059 53.3716 40.2363 176.2551 22 Y 4.7225 7.7471 119.6678 55.3384 38.8585 172.5323 23 P 4.4317 0.0000 0.0000 65.3464 31.6972 177.1667 24 L 4.6958 7.2764 119.3209 51.4785 41.0892 174.1891 25 P 4.6537 0.0000 0.0000 62.3449 31.9942 176.8105 26 D 4.5785 8.7380 119.2936 56.7830 40.9999 177.0628 27 V 4.5441 7.4287 109.6963 59.0330 35.6431 174.7477 28 A 4.2004 8.2872 124.1682 51.7511 19.2498 177.2319 29 H 3.6403 8.4869 122.3142 58.3065 29.8740 175.6842 30 V 4.1505 7.6600 119.3906 60.8394 32.4981 174.8120 31 K 4.1898 8.5698 126.7029 57.6008 33.6043 176.3223 32 N 4.7748 7.9582 117.0729 51.4738 39.5998 173.9519 33 L 4.6674 8.1932 123.3960 52.7428 44.0679 177.2266 34 S 4.4571 8.2838 117.5564 57.2882 65.6960 175.1017 35 A 3.9838 8.4741 122.9285 55.5030 17.9910 179.8605 36 S 4.0939 7.9995 112.0740 61.7675 63.1257 176.5480 37 Q 3.9870 7.7493 120.4297 58.6341 28.6095 178.9167 38 K 4.0317 8.5164 119.6342 59.0904 31.9529 179.3549 39 A 3.9958 7.8163 120.9863 55.0321 18.2372 179.4045 40 L 3.9095 8.0309 118.8561 58.3325 41.9899 179.3941 41 K 4.0122 7.9789 116.9793 59.0637 32.2209 178.7588 42 E 4.2018 8.0045 118.8721 58.8757 29.5297 178.8839 43 K 4.0618 8.2533 119.9052 59.2308 32.0328 178.4366 44 E 4.2272 8.4082 119.0655 58.6677 29.6066 178.3112 45 K 4.2754 7.8327 116.4400 57.3122 32.3947 176.6388 46 A 4.4913 7.4395 122.2589 49.9134 20.7296 176.5106 47 S 3.9625 8.3966 113.0586 58.8867 62.8204 175.2506 48 W 4.6743 8.5064 125.9883 59.0168 29.2401 178.5296 49 S 4.2954 7.8593 114.0312 61.2122 62.2967 175.3105 50 S 4.4796 7.7896 114.0630 58.9418 63.0033 174.1858 51 L 4.5378 7.5430 121.6797 54.0306 42.3357 177.5390 52 S 4.5699 9.1881 118.7996 57.4377 65.5273 175.5844 53 I 3.6674 8.2005 123.0010 64.9435 36.8779 178.4901 54 D 4.3527 8.0757 118.8817 57.2391 40.6418 178.5336 55 E 4.0546 8.0045 118.9201 59.0526 29.5076 179.3872 56 K 3.9584 8.3471 118.9780 59.5024 32.1257 179.6660 57 V 3.6937 8.1262 118.7847 65.7369 31.1604 177.7496 58 E 3.9786 7.9240 118.7034 59.0864 29.5923 178.4338 59 L 4.1161 8.0980 119.1660 57.9142 41.7469 178.8911 60 Y 4.1045 8.1893 119.4563 60.7758 38.6314 177.8920 61 R 4.4617 8.0938 118.0768 57.4801 30.3893 178.4198 62 L 4.1296 7.4844 119.8305 57.2164 41.7139 178.9928 63 K 3.5839 7.6688 118.9676 57.6179 32.1093 176.3616 64 F 5.0714 7.4251 117.1009 55.2652 41.3010 175.2762 65 K 3.5366 7.8495 124.7207 57.1655 32.2827 176.4256 66 E 4.9198 8.8270 118.1242 54.4951 32.1520 176.4389 67 S 5.0502 8.9861 119.1574 56.8806 65.8361 175.5677 68 F 3.8913 8.8932 119.5780 60.6840 38.3648 177.7144 69 A 4.0869 8.0799 118.6545 55.1915 18.3787 179.1508 70 E 4.1061 8.2473 117.1456 59.7719 29.4064 179.4736 71 M 4.3043 8.1255 117.5016 57.4660 31.2811 177.2902 72 N 4.7360 7.8783 115.2739 51.9976 39.2657 175.4755 73 R 4.0853 7.1271 118.3026 56.0677 30.1312 176.6472 74 S 4.6140 8.3487 115.0885 57.6393 64.6128 172.4353 75 T 4.7505 8.0344 109.9599 60.5047 71.8325 173.2102 76 N 4.7782 8.4512 115.4856 53.2416 38.9793 176.6008 77 E 3.9119 7.9757 121.7158 59.2924 29.4736 178.8776 78 W 4.3429 8.3949 116.1031 59.6141 27.8230 178.3343 79 K 3.1344 6.8949 119.0049 59.2318 31.2907 179.4178 80 T 3.7553 7.5293 115.3869 66.4996 68.4196 176.6825 81 V 3.6087 7.8948 120.1046 66.1371 31.6541 178.2075 82 V 3.7823 8.4071 118.4701 65.9440 31.4090 178.2030 83 G 3.6006 8.3554 105.3989 47.8289 0.0000 175.5696 84 A 4.1039 8.4243 123.5824 54.5964 18.3890 179.4693 85 A 4.1507 8.3618 119.4272 55.9597 18.5177 179.9062 86 M 4.1048 8.3074 117.0156 58.2099 31.9101 178.9048 87 F 4.0599 8.1910 121.0209 61.4532 39.6345 177.3586 88 F 4.0878 8.3190 117.3203 60.3759 38.4224 177.7750 89 I 4.0161 7.9586 119.1665 63.8659 37.1470 178.4072 90 G 3.6282 8.0768 107.0270 47.7233 0.0000 175.4674 91 F 3.9677 8.1717 123.8505 61.3389 39.2458 177.2913 92 T 3.7296 7.9285 115.0407 66.5193 68.2348 176.4001 93 A 4.0410 7.8940 122.5183 54.8170 18.2785 179.7339 94 L 3.9032 7.6007 117.9870 57.7867 41.5434 179.5278 95 L 3.8771 7.2989 118.4503 57.8271 41.6097 179.4497 96 L 4.0662 7.9729 118.8537 57.6548 41.4758 179.7481 97 I 3.7306 7.7763 119.9866 63.9730 37.0981 178.0646 98 W 4.1986 8.3618 129.2590 60.5246 30.4644 177.4296 99 E 3.8578 8.8203 119.4855 59.3602 28.8782 178.6940 100 K 4.0611 7.9615 118.1422 59.6544 32.2512 178.0296 101 H 4.0309 8.0177 117.6688 59.1299 29.9826 176.2138 102 Y 4.1347 7.5808 115.9333 58.0780 38.2759 176.6011 103 V 3.9485 7.2652 118.3119 64.3635 32.8218 175.8190 104 Y 4.5492 7.4817 116.1151 57.7690 38.5589 175.8967 105 G 4.0991 8.3190 113.3175 43.5844 0.0000 171.3919 106 P 4.4075 0.0000 0.0000 62.1661 32.1461 175.9734 107 I 4.0120 7.7701 113.4841 59.1041 38.8797 173.7254 108 P 4.3268 0.0000 0.0000 63.0085 31.6953 177.4285 109 H 4.3349 8.5536 115.9349 57.8818 28.5389 177.0032 110 T 2.7553 7.0857 109.2535 62.7731 68.6651 174.7970 111 F 4.5007 7.5714 119.8857 57.8052 39.7790 176.6379 112 E 4.1901 7.9324 121.8211 55.9436 31.0702 176.9601 113 E 3.9666 9.0307 123.6937 59.7347 29.5880 179.1166 114 E 3.9058 8.2209 118.3387 59.0343 29.8679 178.1643 115 W 3.9351 8.3315 127.9024 60.6420 30.7561 177.7586 116 V 3.7183 8.3133 117.9696 66.0001 30.9700 177.8334 117 A 4.0408 8.0610 120.4509 55.1105 18.1686 179.8587 118 K 3.7950 8.0806 117.0177 59.5136 32.0307 179.3553 119 Q 3.8358 8.4353 120.1315 59.4980 29.0357 178.5262 120 T 4.0011 8.5026 117.0136 66.4791 68.4300 176.5115 121 K 3.6138 7.7773 121.3115 59.4049 32.1634 178.6515 122 R 3.8133 8.1350 119.2964 59.8817 29.8634 178.2961 123 M 4.0260 8.2975 118.5306 58.4737 31.8220 178.7732 124 L 4.1899 7.9341 118.8282 57.6317 41.4910 179.2115 125 D 4.4417 8.2124 119.1379 56.8017 40.8359 177.5385 126 M 4.2852 8.1397 115.0395 53.9124 32.5858 176.0575 127 K 4.1759 7.6629 117.1893 56.5218 30.2791 176.3007 128 V 3.4830 8.3681 118.9352 64.2995 32.8850 175.0584 129 A 3.9305 8.7293 129.4620 52.9338 15.4740 175.4430 130 P 4.5532 0.0000 0.0000 63.9349 32.6989 178.6194 131 I 4.1721 7.7950 119.2934 63.6874 37.7871 175.8892 132 Q 4.7161 8.0025 114.7033 57.3744 35.5679 176.1710 133 G 3.8087 8.3774 105.5753 48.0870 0.0000 172.9450 134 F 4.8030 8.2167 120.9046 59.2227 42.0974 176.5859 135 S 4.2469 9.3687 117.1279 61.3966 63.1371 176.7639 136 A 4.2650 8.1966 121.7840 54.3034 18.3855 177.9249 137 K 4.4328 8.4435 114.7467 56.1492 32.6358 175.7874 138 W 4.6407 7.9107 129.6351 55.2192 32.5478 174.7212 139 D 4.4363 7.6896 125.7846 53.0288 39.9963 176.5150 140 Y 4.3087 8.3764 125.1212 60.3611 38.4393 177.4367 141 D 4.5247 8.2010 119.1631 57.0565 41.2783 177.8956 142 K 3.9296 8.3101 115.8639 56.6368 32.6827 176.3683 143 N 3.8283 7.3224 116.7848 53.3123 37.5995 172.0421 144 E 3.5697 5.9000 114.1101 54.3886 33.3949 175.8606 145 W 4.4472 8.0212 120.5252 56.4303 29.7971 176.5392 146 K 3.8984 8.7769 124.3154 56.5958 32.1729 177.3684 147 K 4.1438 8.5516 122.9457 56.7669 32.0582 176.8584 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 4 S 8.33 4.16 0.00 3.80 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 5 V 7.48 3.78 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 0.73 0.00 0.00 0.91 0.00 0.00 6 V 8.93 4.14 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 0.89 0.00 0.00 0.96 0.00 0.00 7 K 8.10 4.75 0.00 1.97 1.64 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.93 4.19 0.00 3.92 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 9 E 8.19 4.31 0.00 1.99 2.03 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 2.27 2.26 0.00 10 D 7.91 4.65 0.00 3.07 2.69 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 0.00 0.00 0.00 0.00 11 Y 7.47 4.16 0.00 2.97 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 12 A 7.15 4.19 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.23 4.74 0.00 1.74 1.56 0.87 0.84 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 14 P 0.00 4.29 0.00 2.06 2.03 0.00 3.62 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 2.04 2.09 0.00 15 S 8.39 4.83 0.00 3.98 3.86 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 16 Y 8.30 4.55 0.00 2.99 2.94 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 17 V 6.76 4.28 1.95 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 0.67 0.00 0.00 0.79 0.00 0.00 18 D 8.44 4.64 0.00 2.69 2.60 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 19 R 7.78 4.52 0.00 1.74 1.73 0.00 3.48 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 20 R 8.71 3.46 0.00 1.81 2.05 0.00 3.45 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 21 D 7.98 4.83 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 22 Y 7.75 4.72 0.00 2.85 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 23 P 0.00 4.43 0.00 2.30 2.44 0.00 3.72 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 1.96 2.06 0.00 24 L 7.28 4.70 0.00 1.54 1.68 0.95 1.22 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 25 P 0.00 4.65 0.00 2.13 1.68 0.00 3.91 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.07 0.00 26 D 8.74 4.58 0.00 2.73 2.79 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 27 V 7.43 4.54 2.12 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 0.79 0.00 0.00 1.12 0.00 0.00 28 A 8.29 4.20 1.13 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 0.00 0.00 29 H 8.49 3.64 0.00 2.50 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.66 4.15 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 0.84 0.00 0.00 0.82 0.00 0.00 31 K 8.57 4.19 0.00 1.86 1.88 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.41 7.81 32 N 7.96 4.77 0.00 2.69 2.77 0.00 0.00 6.79 7.85 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 33 L 8.19 4.67 0.00 1.59 1.54 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.28 4.46 0.00 4.04 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 35 A 8.47 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.00 4.09 0.00 4.06 4.14 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 0.00 0.00 0.00 0.00 37 Q 7.75 3.99 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 38 K 8.52 4.03 0.00 1.77 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.77 7.81 39 A 7.82 4.00 1.42 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 0.00 0.00 40 L 8.03 3.91 0.00 1.79 1.86 0.94 0.83 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 41 K 7.98 4.01 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.61 7.81 42 E 8.00 4.20 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 43 K 8.25 4.06 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 8.41 4.23 0.00 2.12 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 0.00 2.56 2.31 0.00 45 K 7.83 4.28 0.00 1.95 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.68 7.81 46 A 7.44 4.49 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 47 S 8.40 3.96 0.00 3.80 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 48 W 8.51 4.67 0.00 3.45 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 49 S 7.86 4.30 0.00 3.88 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 50 S 7.79 4.48 0.00 3.99 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 51 L 7.54 4.54 0.00 2.02 1.64 0.99 0.76 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 52 S 9.19 4.57 0.00 4.02 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 53 I 8.20 3.67 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 1.64 0.92 0.90 0.00 0.00 54 D 8.08 4.35 0.00 2.72 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 55 E 8.00 4.05 0.00 2.26 2.00 0.00 0.00 0.00 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 2.36 0.00 56 K 8.35 3.96 0.00 1.95 1.82 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.55 7.81 57 V 8.13 3.69 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 1.02 0.00 0.00 0.93 0.00 0.00 58 E 7.92 3.98 0.00 2.18 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 2.33 2.36 0.00 59 L 8.10 4.12 0.00 1.96 1.67 0.86 0.60 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 60 Y 8.19 4.10 0.00 3.21 3.14 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 0.00 0.00 0.00 0.00 61 R 8.09 4.46 0.00 1.89 2.03 0.00 3.46 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.77 0.00 62 L 7.48 4.13 0.00 1.78 1.62 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.67 3.58 0.00 1.51 1.38 0.00 1.11 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.21 7.81 64 F 7.43 5.07 0.00 2.57 2.76 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 65 K 7.85 3.54 0.00 1.06 1.95 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.27 7.81 66 E 8.83 4.92 0.00 2.36 1.86 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 2.27 2.24 0.00 67 S 8.99 5.05 0.00 4.11 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 68 F 8.89 3.89 0.00 3.05 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 69 A 8.08 4.09 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 70 E 8.25 4.11 0.00 2.32 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 2.36 2.35 0.00 71 M 8.13 4.30 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 72 N 7.88 4.74 0.00 2.88 2.90 0.00 0.00 7.05 7.10 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 73 R 7.13 4.09 0.00 1.90 1.96 0.00 3.07 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 74 S 8.35 4.61 0.00 4.05 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 75 T 8.03 4.75 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 1.24 0.00 0.00 76 N 8.45 4.78 0.00 2.70 2.68 0.00 0.00 6.44 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 77 E 7.98 3.91 0.00 2.09 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 2.36 2.35 0.00 78 W 8.39 4.34 0.00 3.67 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 6.89 3.13 0.00 1.48 1.39 0.00 1.30 0.00 0.00 1.24 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.53 3.76 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 81 V 7.89 3.61 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 1.07 0.00 0.00 1.02 0.00 0.00 82 V 8.41 3.78 2.31 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 1.09 0.00 0.00 1.22 0.00 0.00 83 G 8.36 3.60 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 0.00 84 A 8.42 4.10 1.55 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 0.00 0.00 85 A 8.36 4.15 1.52 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 86 M 8.31 4.10 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.61 0.00 87 F 8.19 4.06 0.00 3.06 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 88 F 8.32 4.09 0.00 3.39 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 89 I 7.96 4.02 2.04 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 1.52 0.71 0.94 0.00 0.00 90 G 8.08 3.63 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 0.00 0.00 0.00 91 F 8.17 3.97 0.00 2.45 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 92 T 7.93 3.73 4.44 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 1.21 0.00 0.00 93 A 7.89 4.04 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 94 L 7.60 3.90 0.00 1.41 1.55 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.30 3.88 0.00 1.72 1.60 0.85 0.29 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 96 L 7.97 4.07 0.00 1.87 1.75 0.93 0.75 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 97 I 7.78 3.73 2.07 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 1.41 0.85 0.92 0.00 0.00 98 W 8.36 4.20 0.00 3.52 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 99 E 8.82 3.86 0.00 2.21 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 1.65 2.07 0.00 100 K 7.96 4.06 0.00 1.87 1.99 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.49 7.81 101 H 8.02 4.03 0.00 2.98 3.14 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.58 4.13 0.00 1.44 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 0.00 0.00 0.00 0.00 103 V 7.27 3.95 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.77 0.00 0.00 104 Y 7.48 4.55 0.00 3.11 2.68 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 0.00 105 G 8.32 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 0.00 106 P 0.00 4.41 0.00 2.16 2.02 0.00 3.74 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 1.96 1.92 0.00 107 I 7.77 4.01 1.48 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.61 0.00 0.00 108 P 0.00 4.33 0.00 2.31 1.94 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 109 H 8.55 4.33 0.00 3.25 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.09 2.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 111 F 7.57 4.50 0.00 3.09 3.11 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 0.00 112 E 7.93 4.19 0.00 2.25 1.99 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 2.40 2.38 0.00 113 E 9.03 3.97 0.00 2.09 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 2.44 2.46 0.00 114 E 8.22 3.91 0.00 2.14 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 2.38 2.39 0.00 115 W 8.33 3.94 0.00 3.56 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 0.00 116 V 8.31 3.72 2.32 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 0.86 0.00 0.00 1.13 0.00 0.00 117 A 8.06 4.04 1.45 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 0.00 0.00 118 K 8.08 3.80 0.00 1.62 1.58 0.00 1.44 0.00 0.00 1.27 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.46 7.81 119 Q 8.44 3.84 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 120 T 8.50 4.00 4.49 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 1.44 0.00 0.00 121 K 7.78 3.61 0.00 1.74 1.85 0.00 1.40 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.46 7.81 122 R 8.14 3.81 0.00 1.79 2.01 0.00 3.06 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 123 M 8.30 4.03 0.00 1.96 2.33 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.46 0.00 124 L 7.93 4.19 0.00 1.54 1.34 -0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.21 4.44 0.00 2.76 2.70 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 0.00 0.00 0.00 0.00 126 M 8.14 4.29 0.00 2.13 2.15 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 2.55 2.81 0.00 127 K 7.66 4.18 0.00 1.88 1.93 0.00 1.54 0.00 0.00 1.27 0.00 0.00 2.44 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.51 1.25 7.81 128 V 8.37 3.48 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 0.86 0.00 0.00 0.91 0.00 0.00 129 A 8.73 3.93 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 P 0.00 4.55 0.00 2.26 2.27 0.00 3.82 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 2.03 2.02 0.00 131 I 7.80 4.17 1.92 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 1.45 0.48 0.95 0.00 0.00 132 Q 8.00 4.72 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 133 G 8.38 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 0.00 134 F 8.22 4.80 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 0.00 135 S 9.37 4.25 0.00 4.18 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 0.00 136 A 8.20 4.26 1.42 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 0.00 0.00 137 K 8.44 4.43 0.00 2.14 1.95 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.44 7.81 138 W 7.91 4.64 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.69 4.44 0.00 2.38 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 0.00 0.00 0.00 140 Y 8.38 4.31 0.00 3.10 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 0.00 141 D 8.20 4.52 0.00 2.78 2.69 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 0.00 0.00 0.00 0.00 142 K 8.31 3.93 0.00 1.51 1.69 0.00 1.86 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.28 7.81 143 N 7.32 3.83 0.00 2.78 2.72 0.00 0.00 6.95 7.89 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 0.00 144 E 5.90 3.57 0.00 1.73 1.65 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 1.95 1.93 0.00 145 W 8.02 4.45 0.00 3.16 3.11 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 0.00 146 K 8.78 3.90 0.00 1.75 1.77 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.36 7.81 147 K 8.55 4.14 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.40 7.81