NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 3.9898 8.2531 123.5744 52.1143 19.9544 175.7918 16 G 4.1565 8.3704 118.4277 45.3610 0.0000 172.7474 17 I 3.9246 7.6836 121.1510 62.8925 38.6423 175.6260 18 T 3.9450 7.6721 116.6123 63.5429 69.0097 173.9737 19 G 3.5195 7.5428 112.4089 44.5991 0.0000 171.4541 20 T 4.6071 7.5587 116.8549 61.5272 70.4568 174.4550 21 W 4.7247 8.0196 124.5322 54.8691 33.5205 173.8485 22 Y 5.3622 9.2040 120.5373 56.3899 41.2880 174.9523 23 N 5.4199 8.6978 120.5072 50.5672 39.7977 174.8032 24 Q 4.1675 8.5914 116.4832 59.1685 28.9504 178.3537 25 L 4.2520 7.9174 113.3507 55.7044 41.3150 177.6258 26 G 4.0144 8.4968 107.8971 45.1680 0.0000 173.7057 27 S 5.0127 8.5229 115.9889 57.9505 65.1171 173.3331 28 T 5.2501 8.7888 118.0478 61.8435 72.7542 173.1852 29 F 5.2078 8.8555 119.9027 55.1359 41.7359 173.4268 30 I 4.7765 8.9031 123.6295 59.5631 39.2083 174.9875 31 V 4.8896 8.7583 126.7355 60.0419 35.2576 174.5835 32 T 4.7816 8.9124 118.8951 61.7669 71.2609 172.8229 33 A 4.7849 8.6940 129.2215 50.6245 19.9955 176.9672 34 G 4.1175 9.3276 110.5231 44.7416 0.0000 174.8371 35 A 4.2008 8.6681 123.4076 54.7123 18.6396 178.2538 36 D 4.5932 8.0829 113.8289 53.5388 39.6204 177.4435 37 G 3.3134 7.9750 108.7141 45.0451 0.0000 173.6586 38 A 4.5656 8.3397 122.6024 51.8402 19.9423 176.5749 39 L 5.2941 8.8007 121.6248 53.1511 44.7475 175.9322 40 T 5.0156 9.2315 113.1981 59.6925 72.8774 174.5970 41 G 3.6873 6.9415 106.5595 46.5684 0.0000 171.1024 42 T 5.1661 7.9533 115.4678 62.0153 73.2629 172.4941 43 Y 5.1191 9.3012 126.7851 55.8004 41.7330 174.3053 44 V 5.7550 8.8495 126.5499 60.5005 34.7007 175.4128 45 T 4.7747 8.9513 118.0218 60.5303 70.5765 175.2350 46 A 4.4489 8.8593 123.5159 54.6911 18.4199 178.9456 47 R 3.9207 8.1036 114.8664 58.0977 30.1319 177.7202 48 G 3.9614 8.2540 104.6338 45.0243 0.0000 172.7601 49 N 4.6769 7.6399 116.8906 50.8753 39.6558 175.2791 50 A 3.9526 8.4706 119.8607 55.6393 18.1704 179.3241 51 E 4.0845 7.3363 112.6900 58.2641 29.8597 177.5637 52 S 4.9177 8.6124 115.3984 58.1564 64.4962 173.1897 53 R 5.1545 7.6832 119.2765 54.7686 31.7116 175.3762 54 Y 4.9346 9.3291 120.8364 55.8968 42.3718 175.0704 55 V 4.3601 8.5767 122.3265 62.7945 32.2500 175.0658 56 L 5.1028 8.8051 127.1532 54.3156 43.5872 175.1660 57 T 4.8123 8.5221 114.7090 61.1448 71.4007 173.2879 58 G 4.0772 8.6241 112.5943 46.5888 0.0000 171.9856 59 R 5.5607 8.7208 117.5450 55.3134 35.0094 174.0028 60 Y 5.2738 8.3842 118.4197 55.4760 41.7054 174.4072 61 D 4.2907 8.9429 120.9518 54.1572 40.8633 176.9665 62 S 4.2541 8.2071 120.9377 59.1912 64.0471 174.3165 63 A 4.6595 7.9821 123.4796 49.9315 18.3925 173.3341 64 P 4.8170 0.0000 0.0000 60.6208 32.8178 176.9835 65 A 4.2195 8.3592 121.9333 52.8266 18.6820 177.5426 66 T 4.5183 8.2256 107.7026 61.5068 69.5132 175.5455 67 D 4.5070 7.9830 119.5600 54.4224 39.0622 177.0366 68 G 3.9399 7.9013 107.8550 45.6584 0.0000 174.2950 69 S 4.3562 8.1109 115.5991 57.8012 63.4381 173.9602 70 G 4.1788 8.2524 109.4351 46.1018 0.0000 172.8634 71 T 4.8522 8.6010 116.4692 61.5245 70.5987 174.5910 72 A 4.8309 8.7311 128.9181 52.1618 20.2935 175.8371 73 L 4.7661 8.6977 119.9412 55.7088 44.6800 173.5801 74 G 4.5318 9.0398 104.4400 46.0591 0.0000 172.3581 75 W 5.6977 8.2328 116.8231 55.7668 32.3259 173.4318 76 T 5.1566 9.3683 116.6327 61.8362 72.5116 173.3740 77 V 4.4816 8.8400 124.4640 60.9160 34.6602 173.8179 78 A 4.6087 8.2208 129.1722 49.3577 20.5569 177.7688 79 W 4.2363 8.3969 125.3675 55.3497 28.1888 176.3853 80 K 5.2040 7.7383 118.1651 54.7856 35.4584 174.6146 81 N 5.1410 8.5727 123.3914 51.8821 39.5287 173.5750 82 N 4.3565 8.4740 113.6952 54.9288 38.8962 175.0258 83 Y 4.6116 8.1766 115.2873 58.1754 39.9238 175.2162 84 R 4.4995 7.7372 114.3684 55.7947 31.7739 173.1573 85 N 5.0453 8.5590 116.2404 52.6955 40.9419 173.4147 86 A 4.4320 9.0281 128.3386 51.5903 19.8592 176.1126 87 H 4.1305 8.7066 114.0426 56.1732 26.9104 173.5120 88 S 5.1963 7.4954 111.0551 57.7960 66.8644 173.8735 89 A 4.9840 9.0200 120.7870 50.8013 22.8058 175.2755 90 T 4.9752 8.8506 116.9627 61.7448 72.1815 173.3899 91 T 4.9094 8.4093 114.5826 59.6312 72.1837 172.5398 92 W 4.9406 8.6591 124.8469 54.7543 31.8516 174.6078 93 S 4.9942 8.8717 119.6697 56.8702 64.9414 173.3100 94 G 4.6630 8.4339 112.5749 46.3596 0.0000 171.6736 95 Q 5.2626 8.5579 117.1132 54.7903 32.3235 173.8115 96 Y 4.7813 9.0293 122.8598 56.8559 41.1581 174.3506 97 V 4.0584 8.0478 124.5601 61.2666 34.6917 175.5824 98 G 4.0461 8.0777 118.7822 44.3025 0.0000 170.5515 99 G 3.7435 8.7562 104.9958 44.1609 0.0000 173.0878 100 A 4.0721 8.5875 120.4846 54.8715 18.9642 178.8293 101 E 4.5219 7.7497 114.7522 54.9132 28.6250 175.9860 102 A 4.5574 7.6179 120.8977 52.4874 19.8308 178.5208 103 R 5.2324 9.0439 116.3169 54.8937 33.8077 174.1273 104 I 4.8499 8.9119 121.8343 59.9567 39.7330 174.1924 105 N 5.3810 8.9112 125.9124 52.1043 40.4636 174.7108 106 T 5.3604 9.0316 113.0189 60.2576 73.1044 172.7456 107 Q 5.2217 9.0389 121.2493 54.0217 32.3478 174.6682 108 W 5.4182 8.3926 117.6215 54.8142 32.2524 173.7902 109 L 5.2727 8.8210 120.1636 52.9129 45.2658 175.6180 110 L 4.9592 9.0495 124.2937 53.8624 44.8798 174.8449 111 T 5.0134 8.8183 124.0083 62.0485 70.6753 174.2025 112 S 5.1983 8.7631 122.4836 56.5558 65.4338 174.1961 113 G 3.9413 8.7020 111.4431 46.3461 0.0000 173.1232 114 T 4.7805 8.2311 113.9886 59.7102 72.3452 173.0527 115 T 4.2012 8.0719 111.4991 60.8298 70.0443 175.2348 116 E 3.9309 8.8892 120.8215 59.6247 29.5244 179.8013 117 A 4.1518 8.0824 119.9099 54.4021 18.8385 177.5800 118 N 5.0343 7.9943 111.4767 53.0203 39.5651 176.4645 119 A 4.1330 8.2924 123.4789 53.8575 18.6171 180.4399 120 W 4.3544 8.3677 112.5688 58.4891 28.2319 176.7650 121 K 3.9275 6.6903 118.1050 56.0533 32.0598 177.1305 122 S 4.2262 7.7441 115.1066 60.5296 63.6388 173.2870 123 T 4.9664 7.4142 116.9790 61.8716 71.2618 173.3554 124 L 4.6832 8.9142 127.4619 53.5432 43.7752 176.3243 125 V 4.3886 7.7437 120.7021 60.3649 34.4640 175.4024 126 G 3.2296 6.2900 107.6361 45.8819 0.0000 171.3793 127 H 5.4420 8.1809 114.0941 54.2714 31.9813 172.6667 128 D 5.0527 9.2472 118.3756 53.3026 45.3684 174.3288 129 T 5.2132 8.5512 117.9397 61.8541 72.1962 172.7151 130 F 5.5488 9.5155 124.8118 56.0482 41.8974 174.7951 131 T 5.4616 9.3188 112.6462 60.0245 72.1404 174.8398 132 K 3.6727 8.7896 119.9539 57.1606 32.6339 177.5535 133 V 4.4300 7.3797 111.8508 58.8245 33.9706 175.5109 134 K 3.6256 8.1988 123.0697 56.5891 31.9122 176.5056 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 15 A 8.25 3.99 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 16 G 8.37 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 0.00 0.00 0.00 17 I 7.68 3.92 1.40 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.34 0.56 0.00 0.00 18 T 7.67 3.95 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 1.14 0.00 0.00 19 G 7.54 3.52 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 0.00 20 T 7.56 4.61 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 0.71 0.00 0.00 21 W 8.02 4.72 0.00 1.78 2.73 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 22 Y 9.20 5.36 0.00 2.96 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 23 N 8.70 5.42 0.00 2.39 2.24 0.00 0.00 6.97 7.03 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 24 Q 8.59 4.17 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.10 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 25 L 7.92 4.25 0.00 1.72 1.76 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.50 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 27 S 8.52 5.01 0.00 4.17 3.72 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 28 T 8.79 5.25 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 1.08 0.00 0.00 29 F 8.86 5.21 0.00 2.94 2.63 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 30 I 8.90 4.78 1.82 0.00 0.00 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 1.16 0.56 0.83 0.00 0.00 31 V 8.76 4.89 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 0.72 0.00 0.00 0.75 0.00 0.00 32 T 8.91 4.78 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 1.18 0.00 0.00 33 A 8.69 4.78 0.64 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 34 G 9.33 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.67 4.20 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 36 D 8.08 4.59 0.00 2.78 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 37 G 7.97 3.31 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 0.00 38 A 8.34 4.57 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 39 L 8.80 5.29 0.00 1.66 1.47 1.03 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.23 5.02 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 1.21 0.00 0.00 41 G 6.94 3.69 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 0.00 0.00 0.00 42 T 7.95 5.17 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 1.26 0.00 0.00 43 Y 9.30 5.12 0.00 2.89 2.85 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 0.00 0.00 0.00 0.00 44 V 8.85 5.76 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 0.98 0.00 0.00 45 T 8.95 4.77 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 46 A 8.86 4.45 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 47 R 8.10 3.92 0.00 1.80 2.03 0.00 3.30 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 48 G 8.25 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 0.00 0.00 0.00 49 N 7.64 4.68 0.00 2.99 2.95 0.00 0.00 6.11 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.47 3.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.34 4.08 0.00 1.95 1.98 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 2.16 1.66 0.00 52 S 8.61 4.92 0.00 3.92 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 53 R 7.68 5.15 0.00 1.65 1.84 0.00 3.11 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 54 Y 9.33 4.93 0.00 2.88 2.74 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 55 V 8.58 4.36 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.81 5.10 0.00 1.73 1.64 0.60 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.52 4.81 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 58 G 8.62 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 59 R 8.72 5.56 0.00 1.76 1.79 0.00 3.31 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 60 Y 8.38 5.27 0.00 3.11 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.94 4.29 0.00 2.75 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 62 S 8.21 4.25 0.00 3.89 3.43 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 63 A 7.98 4.66 1.22 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 64 P 0.00 4.82 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.36 4.22 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 66 T 8.23 4.52 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 1.24 0.00 0.00 67 D 7.98 4.51 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 68 G 7.90 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 69 S 8.11 4.36 0.00 3.93 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 70 G 8.25 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.60 4.85 4.55 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 1.47 0.00 0.00 72 A 8.73 4.83 1.30 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 0.00 0.00 73 L 8.70 4.77 0.00 2.04 1.97 1.15 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.04 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.23 5.70 0.00 3.41 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 76 T 9.37 5.16 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 1.13 0.00 0.00 77 V 8.84 4.48 1.35 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 -0.46 0.00 0.00 0.71 0.00 0.00 78 A 8.22 4.61 1.14 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 0.00 0.00 79 W 8.40 4.24 0.00 3.33 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 80 K 7.74 5.20 0.00 1.86 1.68 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 N 8.57 5.14 0.00 2.77 2.73 0.00 0.00 7.04 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.47 4.36 0.00 1.88 1.78 0.00 0.00 6.63 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.18 4.61 0.00 3.09 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 84 R 7.74 4.50 0.00 2.03 2.11 0.00 3.13 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 85 N 8.56 5.05 0.00 2.64 2.63 0.00 0.00 6.85 7.96 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 86 A 9.03 4.43 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.71 4.13 0.00 3.34 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.50 5.20 0.00 3.99 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 89 A 9.02 4.98 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 90 T 8.85 4.98 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 -0.46 0.00 0.00 91 T 8.41 4.91 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 1.13 0.00 0.00 92 W 8.66 4.94 0.00 1.78 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 0.00 0.00 0.00 93 S 8.87 4.99 0.00 3.78 3.65 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 94 G 8.43 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 95 Q 8.56 5.26 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 96 Y 9.03 4.78 0.00 3.04 2.90 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 97 V 8.05 4.06 1.96 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 0.83 0.00 0.00 0.90 0.00 0.00 98 G 8.08 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 0.00 0.00 0.00 99 G 8.76 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 0.00 100 A 8.59 4.07 1.30 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 0.00 0.00 101 E 7.75 4.52 0.00 1.98 1.96 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 2.25 2.24 0.00 102 A 7.62 4.56 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 0.00 103 R 9.04 5.23 0.00 2.16 2.13 0.00 2.77 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.86 0.00 104 I 8.91 4.85 1.89 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.11 1.14 0.00 0.00 105 N 8.91 5.38 0.00 2.76 2.82 0.00 0.00 6.09 7.02 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 0.00 106 T 9.03 5.36 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 107 Q 9.04 5.22 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 108 W 8.39 5.42 0.00 2.60 2.34 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 0.00 109 L 8.82 5.27 0.00 1.50 1.51 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.05 4.96 0.00 1.76 1.65 0.66 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.82 5.01 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 1.19 0.00 0.00 112 S 8.76 5.20 0.00 3.66 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 0.00 113 G 8.70 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 0.00 114 T 8.23 4.78 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 1.19 0.00 0.00 115 T 8.07 4.20 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 1.21 0.00 0.00 116 E 8.89 3.93 0.00 2.07 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 2.42 2.34 0.00 117 A 8.08 4.15 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 0.00 118 N 7.99 5.03 0.00 2.66 2.69 0.00 0.00 6.73 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.29 4.13 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 0.00 120 W 8.37 4.35 0.00 3.64 3.28 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 0.00 121 K 6.69 3.93 0.00 0.80 0.74 0.00 1.26 0.00 0.00 1.15 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.57 0.83 7.81 122 S 7.74 4.23 0.00 4.13 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 0.00 123 T 7.41 4.97 4.19 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 1.18 0.00 0.00 124 L 8.91 4.68 0.00 1.80 1.69 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.74 4.39 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.68 0.00 0.00 126 G 6.29 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 0.00 0.00 0.00 127 H 8.18 5.44 0.00 3.18 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.25 5.05 0.00 3.20 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 5.21 4.31 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 1.37 0.00 0.00 130 F 9.52 5.55 0.00 3.19 3.24 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 0.00 131 T 9.32 5.46 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 132 K 8.79 3.67 0.00 1.49 1.61 0.00 1.40 0.00 0.00 1.35 0.00 0.00 2.36 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.36 0.21 7.81 133 V 7.38 4.43 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 0.67 0.00 0.00 0.95 0.00 0.00 134 K 8.20 3.63 0.00 1.12 1.38 0.00 1.19 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.06 0.36 7.81