NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4833 8.2876 121.6940 55.4993 31.7182 174.3333 3 Q 5.0441 7.8024 116.6256 54.1915 30.6096 172.3725 4 Y 4.8941 9.7194 121.4295 56.3418 41.6760 175.2425 5 Y 4.7561 8.7451 124.1280 55.9971 41.8959 174.5646 6 G 4.6578 9.1360 111.7634 44.1687 0.0000 171.3149 7 T 4.7208 8.2495 123.2556 61.8244 70.1385 174.8375 8 G 4.0826 9.2390 113.8734 44.6819 0.0000 171.2570 9 R 5.2482 8.4265 124.7640 54.1896 33.4154 175.3246 10 R 4.3501 9.3995 121.3064 56.1539 33.6408 173.8499 11 K 3.7377 9.4723 118.6438 59.9802 29.8672 173.8975 12 E 3.7932 7.5270 119.4569 56.3078 29.4943 175.2047 13 A 4.8982 8.2472 123.3329 51.1706 22.1467 176.0243 14 V 4.4839 8.9032 123.3955 61.2633 33.7810 174.3559 15 A 4.8197 8.9614 131.0935 50.5137 21.1459 175.1093 16 R 4.9089 9.0837 124.6797 55.2459 30.8824 174.2411 17 V 4.8208 8.8393 125.3510 61.2141 34.0800 174.3307 18 F 5.5344 9.3534 124.5427 56.0067 43.5301 173.5029 19 L 5.4997 9.3614 122.5982 53.1205 45.4116 175.7609 20 R 5.4763 8.9818 120.9933 52.8309 34.3228 172.6928 21 P 2.9700 0.0000 0.0000 59.6833 31.4625 173.9876 22 G 3.8912 7.6312 116.9759 45.2913 0.0000 174.4371 23 N 5.6562 8.6783 124.6363 52.6093 41.0962 176.6244 24 G 4.2396 8.6187 95.7542 43.3190 0.0000 169.8191 25 K 4.7657 8.3561 119.6919 55.9755 37.9542 175.0063 26 V 5.5257 7.9994 120.8369 61.9208 35.2941 174.0749 27 T 4.7828 8.7970 125.1501 62.4326 68.4261 172.7261 28 V 3.7644 10.8489 125.0851 62.6362 31.7507 176.4624 29 N 3.7522 9.1350 131.3768 54.6342 37.3816 173.9844 30 G 3.7393 7.7295 111.3107 43.5702 0.0000 172.3917 31 Q 5.0073 7.4297 125.2159 54.9563 31.4790 172.6392 32 D 4.9703 7.7498 119.9164 53.8530 43.2434 175.5030 33 F 3.4850 8.9083 125.2413 62.0602 39.1021 176.7251 34 N 4.5610 8.2439 115.3802 55.5637 38.4332 176.2860 35 E 4.0777 9.1629 122.5255 59.2174 29.9970 177.4677 36 Y 4.3471 8.6736 119.0375 60.7830 38.5949 178.2640 37 F 4.2656 9.0887 116.2569 58.8615 38.4601 174.9209 38 Q 3.9369 7.7714 120.2923 57.5640 25.9448 176.4329 39 G 4.0669 8.7797 110.2367 45.9596 0.0000 172.2355 40 L 4.2555 9.0561 121.2781 53.2482 40.6047 177.8187 41 V 3.1898 8.3519 124.9024 65.8638 31.9673 177.6035 42 R 3.9381 8.6178 118.3616 59.9331 29.5324 178.8076 43 A 3.8686 8.1721 116.7332 53.7994 19.6604 179.1085 44 V 3.7089 8.1638 113.3557 63.2309 32.4833 177.8895 45 A 4.0907 8.5019 122.4074 54.3485 18.8824 178.1633 46 A 4.7765 8.1030 121.2010 49.6231 17.9507 175.8198 47 L 4.5012 7.4507 126.0825 53.2933 46.1541 175.1315 48 E 3.9694 8.3272 119.6700 59.6032 29.3761 176.3944 49 P 4.2215 0.0000 0.0000 66.1421 30.7405 177.6032 50 L 3.8749 8.2636 120.1007 58.2433 42.0271 179.0811 51 R 3.8050 8.7857 117.9729 60.1066 29.7770 180.2617 52 A 3.6942 7.3223 120.0255 54.3024 19.1400 177.9981 53 V 4.1628 7.3222 110.5502 61.6874 33.0819 173.5947 54 D 4.3792 8.5293 118.2778 53.6002 39.1031 171.3081 55 A 4.4876 7.3976 120.6009 51.4565 21.7241 175.9019 56 L 4.3143 8.0336 125.2944 57.3094 43.3214 178.7148 57 G 3.9300 7.9279 103.7294 46.1965 0.0000 174.7044 58 R 4.1558 7.9150 120.9016 56.8161 28.9920 178.2871 59 F 4.7898 8.5082 118.3556 56.6443 42.8152 174.1641 60 D 5.0103 9.2022 120.1815 53.2025 42.3443 174.6961 61 A 5.2906 8.8604 128.4924 50.4849 21.6913 174.6442 62 Y 5.4918 9.2845 123.1436 56.1616 42.8092 174.0989 63 I 5.1260 8.5563 125.3472 60.1880 42.3987 173.9283 64 T 4.7936 8.5454 122.9812 62.3534 70.2395 174.3582 65 V 4.5800 7.2394 121.4113 61.0181 34.6611 171.6895 66 R 4.0840 8.5629 123.2778 56.4734 34.6845 170.7165 67 G 3.8398 9.8515 104.7573 46.4008 0.0000 175.0389 68 G 2.9921 7.7586 103.1194 44.5010 0.0000 175.0990 69 G 4.4076 8.3655 102.9086 43.7011 0.0000 177.1421 70 K 4.4587 8.8502 112.7238 56.0926 34.3983 178.6089 71 S 3.1232 9.3191 118.2697 59.6426 63.8759 173.9293 72 G 4.4794 8.0504 107.5552 47.9272 0.0000 174.8559 73 Q 4.0191 8.3268 121.5822 58.5960 28.7544 179.2646 74 I 3.7190 7.8674 121.1108 64.3028 37.0269 177.8970 75 D 4.3731 8.1668 119.1340 56.6876 38.9232 178.1479 76 A 3.9874 8.1322 123.0675 54.9361 18.2122 179.2284 77 I 3.7028 7.9088 118.0513 64.7322 37.2982 178.0947 78 K 3.9392 8.3124 120.0043 60.0224 31.8638 178.6289 79 L 4.3424 8.4374 119.1775 57.6973 41.4485 179.4988 80 G 3.7323 8.3745 106.0285 48.8411 0.0000 174.7659 81 I 3.6227 8.1904 121.3252 63.8786 36.9488 177.8013 82 A 3.5423 8.2560 120.8913 55.5246 18.3394 179.2960 83 R 3.6978 8.1023 116.7632 59.8025 29.9386 177.9704 84 A 4.7157 7.9271 120.8990 54.6987 18.2085 179.0681 85 L 3.8384 7.9176 118.5729 58.3033 41.8533 179.1295 86 V 3.5570 7.5572 117.1981 66.5437 31.4228 177.5025 87 Q 4.1076 7.9524 116.3939 59.3699 28.6576 177.8474 88 Y 4.7362 8.4311 120.8107 60.0802 40.3071 176.6543 89 N 4.5312 8.3091 115.9102 50.9228 39.4299 173.8815 90 P 4.7795 0.0000 0.0000 61.5252 29.2133 175.9073 91 D 4.6622 7.2098 117.9903 54.4315 41.0117 176.9455 92 Y 5.0753 7.2624 117.3823 58.3353 38.2008 178.4452 93 R 3.8740 8.3374 121.9138 59.5697 30.3725 179.7319 94 A 4.5212 7.8238 120.1474 51.2313 17.9448 177.0900 95 K 4.5803 9.5048 122.0113 59.0977 40.3500 178.3283 96 L 4.0646 8.1035 121.1005 57.9060 42.6111 178.9931 97 K 4.0875 8.2404 119.4076 59.0842 31.9561 176.5250 98 P 4.2788 0.0000 0.0000 65.9406 31.4113 179.8324 99 L 4.2375 8.3407 117.6708 59.3736 41.1015 179.2913 100 G 4.0127 9.1488 105.1564 46.4040 0.0000 177.2481 101 F 4.7303 8.0864 126.5554 55.3283 40.3655 174.8011 102 L 4.2886 7.5918 119.8813 58.8122 41.5186 174.7236 103 T 3.9145 8.5546 117.1285 61.3051 68.8892 172.7061 104 R 3.9081 8.3922 126.3093 59.0526 30.7136 176.8174 105 D 4.8814 8.1150 115.3964 54.8894 37.0480 176.4137 106 A 4.2885 7.5471 126.7656 51.9583 18.1023 179.1407 107 R 4.4929 7.3723 118.4328 54.9231 29.9217 175.8089 108 V 4.2937 7.5027 109.3980 60.6692 36.0650 173.4107 109 V 3.3820 7.4401 119.4458 61.9709 32.3903 174.5509 110 E 4.4787 8.5592 123.5823 56.6462 31.4696 176.3190 111 R 4.3751 7.7563 117.4453 55.4320 33.6948 173.0368 112 K 4.5091 8.5439 124.9409 55.1909 33.6126 175.3607 113 K 4.6257 8.1416 122.5570 54.1103 36.3364 175.1814 114 Y 4.0351 8.4651 117.8533 59.5293 37.6766 177.2854 115 G 3.5961 8.6449 112.8529 45.6535 0.0000 173.0691 116 K 4.8475 9.1836 114.0429 61.7146 31.0723 180.4397 117 H 3.5274 7.2501 116.6431 58.0233 31.4184 175.9937 118 K 4.2079 7.8230 123.4611 59.8484 30.9678 177.1033 119 A 4.1421 10.6000 116.2655 52.9637 17.3749 177.8905 120 R 4.4643 8.4657 115.1877 57.6634 36.0204 176.0197 121 R 4.1803 8.0117 122.0139 53.7550 28.3652 174.1457 122 A 4.0987 7.9950 121.0558 51.4620 18.9759 175.8618 123 P 4.1093 0.0000 0.0000 63.5071 31.5576 176.0168 124 Q 4.5157 8.2911 118.8151 55.4704 30.6975 176.9456 125 Y 4.6907 8.5952 121.9198 58.2080 38.8581 173.1806 126 S 4.5357 8.2616 125.2176 59.2780 67.9914 177.9025 127 K 4.5046 8.7459 111.8476 54.9618 31.2928 175.8878 128 R 4.1986 7.8198 123.7369 57.0902 30.2030 176.6919 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 2 E 8.29 4.48 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 3 Q 7.80 5.04 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 4 Y 9.72 4.89 0.00 2.84 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 5 Y 8.75 4.76 0.00 2.80 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 6 G 9.14 4.66 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 7 T 8.25 4.72 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 1.12 0.00 0.00 8 G 9.24 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 0.00 0.00 0.00 0.00 9 R 8.43 5.25 0.00 1.66 1.81 0.00 3.27 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 10 R 9.40 4.35 0.00 2.07 1.71 0.00 3.18 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 11 K 9.47 3.74 0.00 1.82 1.84 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.41 7.81 12 E 7.53 3.79 0.00 2.23 2.33 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 2.30 2.24 0.00 13 A 8.25 4.90 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 14 V 8.90 4.48 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 1.07 0.00 0.00 0.95 0.00 0.00 15 A 8.96 4.82 1.43 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 0.00 0.00 16 R 9.08 4.91 0.00 2.07 2.13 0.00 3.23 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.05 0.00 17 V 8.84 4.82 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 1.11 0.00 0.00 1.09 0.00 0.00 18 F 9.35 5.53 0.00 2.85 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 9.36 5.50 0.00 1.50 1.46 0.61 1.26 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 20 R 8.98 5.48 0.00 1.81 1.86 0.00 3.21 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 21 P 0.00 2.97 0.00 1.76 1.59 0.00 3.82 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 22 G 7.63 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 0.00 0.00 0.00 23 N 8.68 5.66 0.00 2.67 1.97 0.00 0.00 7.04 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 24 G 8.62 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 0.00 0.00 0.00 0.00 25 K 8.36 4.77 0.00 1.69 1.66 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 26 V 8.00 5.53 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 1.30 0.00 0.00 0.98 0.00 0.00 27 T 8.80 4.78 4.74 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 0.00 0.00 0.00 1.47 0.00 0.00 28 V 10.85 3.76 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 0.66 0.00 0.00 0.96 0.00 0.00 29 N 9.14 3.75 0.00 2.70 2.89 0.00 0.00 7.24 8.12 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 30 G 7.73 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.43 5.01 0.00 2.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 32 D 7.75 4.97 0.00 2.69 2.84 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 0.00 0.00 0.00 33 F 8.91 3.48 0.00 2.98 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 34 N 8.24 4.56 0.00 2.95 2.96 0.00 0.00 6.53 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 35 E 9.16 4.08 0.00 2.03 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 0.00 2.42 2.44 0.00 36 Y 8.67 4.35 0.00 3.17 3.39 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 37 F 9.09 4.27 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.77 3.94 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.38 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 39 G 8.78 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 0.00 0.00 0.00 0.00 40 L 9.06 4.26 0.00 1.74 1.57 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.35 3.19 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 0.81 0.00 0.00 0.94 0.00 0.00 42 R 8.62 3.94 0.00 1.76 1.82 0.00 3.31 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 43 A 8.17 3.87 1.64 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 0.00 0.00 44 V 8.16 3.71 2.17 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 0.82 0.00 0.00 1.02 0.00 0.00 45 A 8.50 4.09 1.41 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 46 A 8.10 4.78 1.77 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 47 L 7.45 4.50 0.00 1.56 1.59 0.88 0.73 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 48 E 8.33 3.97 0.00 2.19 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 0.00 2.45 2.55 0.00 49 P 0.00 4.22 0.00 2.18 2.09 0.00 3.83 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 50 L 8.26 3.87 0.00 1.80 1.74 0.96 0.94 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 51 R 8.79 3.81 0.00 2.19 2.01 0.00 3.25 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 52 A 7.32 3.69 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 53 V 7.32 4.16 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 0.79 0.00 0.00 0.71 0.00 0.00 54 D 8.53 4.38 0.00 2.82 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 A 7.40 4.49 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.03 4.31 0.00 1.65 1.63 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.91 4.16 0.00 1.95 2.15 0.00 3.30 0.00 0.00 3.31 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 59 F 8.51 4.79 0.00 2.93 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 60 D 9.20 5.01 0.00 2.69 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 61 A 8.86 5.29 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 62 Y 9.28 5.49 0.00 2.85 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 63 I 8.56 5.13 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 1.08 0.00 0.00 64 T 8.55 4.79 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 1.12 0.00 0.00 65 V 7.24 4.58 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 0.50 0.00 0.00 0.99 0.00 0.00 66 R 8.56 4.08 0.00 1.85 1.80 0.00 3.07 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.00 67 G 9.85 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.76 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 0.00 0.00 0.00 69 G 8.37 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 70 K 8.85 4.46 0.00 1.67 1.18 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.19 1.29 7.81 71 S 9.32 3.12 0.00 3.80 3.55 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 72 G 8.05 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.02 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 74 I 7.87 3.72 1.69 0.00 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.41 0.60 0.00 0.00 75 D 8.17 4.37 0.00 2.88 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 76 A 8.13 3.99 1.51 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 77 I 7.91 3.70 2.25 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 1.11 0.00 0.00 78 K 8.31 3.94 0.00 1.98 2.10 0.00 2.04 0.00 0.00 2.14 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.63 2.07 7.81 79 L 8.44 4.34 0.00 1.95 1.78 1.15 1.03 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 80 G 8.37 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.19 3.62 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.85 0.00 0.00 82 A 8.26 3.54 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.10 3.70 0.00 1.91 1.98 0.00 3.30 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 84 A 7.93 4.72 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 85 L 7.92 3.84 0.00 1.68 1.82 1.11 1.07 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 86 V 7.56 3.56 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 0.87 0.00 0.00 0.89 0.00 0.00 87 Q 7.95 4.11 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.75 0.00 88 Y 8.43 4.74 0.00 1.93 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 89 N 8.31 4.53 0.00 1.87 1.56 0.00 0.00 6.77 7.59 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 90 P 0.00 4.78 0.00 2.13 2.22 0.00 3.68 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 1.92 1.93 0.00 91 D 7.21 4.66 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.26 5.08 0.00 3.02 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 93 R 8.34 3.87 0.00 1.91 1.95 0.00 3.26 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 94 A 7.82 4.52 1.27 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 0.00 0.00 95 K 9.50 4.58 0.00 1.72 1.67 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.23 7.81 96 L 8.10 4.06 0.00 1.79 1.68 -0.03 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.24 4.09 0.00 1.92 1.93 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.54 7.81 98 P 0.00 4.28 0.00 2.24 2.09 0.00 3.87 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 2.12 2.13 0.00 99 L 8.34 4.24 0.00 2.11 1.86 0.93 0.99 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 0.00 100 G 9.15 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 0.00 0.00 0.00 101 F 8.09 4.73 0.00 3.23 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 0.00 102 L 7.59 4.29 0.00 1.72 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.55 3.91 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 1.23 0.00 0.00 104 R 8.39 3.91 0.00 1.77 1.95 0.00 3.18 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.98 0.00 105 D 8.12 4.88 0.00 2.74 3.06 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 0.00 106 A 7.55 4.29 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.37 4.49 0.00 1.88 1.91 0.00 3.24 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 108 V 7.50 4.29 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 0.57 0.00 0.00 0.93 0.00 0.00 109 V 7.44 3.38 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 0.81 0.00 0.00 0.93 0.00 0.00 110 E 8.56 4.48 0.00 2.06 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 2.15 2.19 0.00 111 R 7.76 4.38 0.00 1.71 1.80 0.00 3.21 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 112 K 8.54 4.51 0.00 1.76 1.68 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.76 7.81 113 K 8.14 4.63 0.00 1.88 1.69 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.45 7.81 114 Y 8.47 4.04 0.00 2.99 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 0.00 115 G 8.64 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 0.00 116 K 9.18 4.85 0.00 2.05 2.35 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.36 7.81 117 H 7.25 3.53 0.00 3.30 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.82 4.21 0.00 1.81 1.76 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.46 7.81 119 A 10.60 4.14 1.43 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 0.00 0.00 120 R 8.47 4.46 0.00 1.86 1.91 0.00 3.16 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 121 R 8.01 4.18 0.00 1.84 1.92 0.00 3.14 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 122 A 7.99 4.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.11 0.00 2.07 2.02 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 124 Q 8.29 4.52 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 125 Y 8.60 4.69 0.00 2.87 2.84 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 0.00 0.00 0.00 126 S 8.26 4.54 0.00 3.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.75 4.50 0.00 1.85 1.85 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 128 R 7.82 4.20 0.00 1.85 1.89 0.00 3.28 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00