NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -12 M 4.5171 8.1514 118.7956 54.1562 33.4225 175.7721 -11 G 3.5293 8.3949 102.1593 48.4941 0.0000 174.6020 -10 T 4.0937 8.2411 119.4507 67.0949 68.8752 175.2286 -9 L 3.9946 7.9710 123.8185 59.6107 40.9107 180.3380 -8 E 4.0996 7.6725 120.1161 59.3877 29.4367 179.0292 -7 A 4.1078 8.0619 122.3770 55.8416 18.4418 180.3125 -6 Q 4.3571 8.2491 120.7003 60.0920 27.9781 181.2089 -5 T 4.0657 8.1748 117.0584 64.7946 68.7283 175.2887 -4 Q 3.7841 7.6519 116.8698 55.8840 27.0314 174.0195 -3 G 3.8814 7.7999 106.5410 44.2832 0.0000 171.6703 -2 P 4.3643 0.0000 0.0000 63.8171 31.5689 177.1365 -1 G 3.9207 8.8654 109.4169 45.9476 0.0000 173.9730 0 S 4.4776 7.7237 114.3937 58.2543 63.7261 173.2403 1 M 4.9682 10.1178 121.6946 53.2764 35.5934 175.8234 2 S 4.4031 8.6205 117.5456 58.3359 64.1589 173.3351 3 K 4.5076 8.1327 120.9964 54.9476 34.7718 175.1815 4 T 5.0505 8.0088 120.2577 61.9580 71.5503 172.8180 5 Y 5.3807 9.2094 122.7949 56.1721 42.1616 174.5645 6 F 5.5055 9.2793 118.1207 55.7832 41.0963 175.7582 7 T 4.5455 8.3148 111.2099 60.5849 70.8872 174.3031 8 Q 4.3884 8.6526 118.9447 57.4799 29.2303 175.6183 9 D 4.8562 7.8283 119.0261 54.4929 42.4106 175.1741 10 H 4.4117 8.3348 111.4578 57.5425 26.4494 173.9893 11 E 5.3453 7.6504 113.9240 54.3103 34.0669 175.8356 12 W 5.7935 8.4448 117.4845 54.8356 32.2969 173.9715 13 L 5.1261 9.2569 120.2163 54.1915 43.7292 175.0556 14 S 5.3147 9.4231 115.8087 56.6341 65.9802 172.5187 15 V 4.7442 8.5978 126.3194 61.1870 33.7123 174.2931 16 E 4.7812 8.8735 128.5236 55.1107 32.7232 174.6750 17 G 4.0920 8.5413 117.8201 47.4340 0.0000 174.2263 18 Q 4.4739 8.6057 123.7581 55.4544 29.0337 174.1109 19 V 4.2871 7.8013 120.2397 61.4054 33.3842 174.6428 20 V 4.7600 8.7643 128.7745 61.6904 33.3753 174.3823 21 T 4.7232 8.7156 125.2596 62.0882 70.6897 174.0298 22 V 3.8600 7.9716 124.9290 60.9288 35.0606 174.6523 23 G 3.8206 6.3535 112.6863 45.1428 0.0000 171.3111 24 I 4.9984 8.1529 113.1706 59.6268 39.7746 175.7878 25 T 4.5834 8.5906 114.3160 61.1695 70.2880 175.0357 26 D 4.3678 9.5983 121.5277 57.6749 41.0021 177.7365 27 Y 3.8594 8.1008 119.1819 60.6719 38.8770 177.8240 28 A 4.5405 8.2759 123.0803 54.7946 18.3897 179.6165 29 Q 4.0146 8.2243 116.2022 59.4817 28.3999 178.6505 30 E 3.9137 7.9933 119.7618 59.2345 29.6256 178.8718 31 Q 4.0555 8.1199 118.1095 58.9215 28.5322 178.8093 32 L 4.1330 7.7188 118.5180 56.1302 42.2497 178.0584 33 G 3.7561 8.0963 106.2828 44.1850 0.0000 171.8485 34 D 4.5040 8.5203 118.7194 54.6564 40.9623 176.3932 35 L 4.4692 9.1298 125.6373 54.6680 42.3263 177.2077 36 V 4.4288 8.6454 115.5331 61.7150 34.1399 175.8776 37 F 4.7965 7.8892 121.3904 56.9416 42.8871 172.6579 38 I 4.6493 7.1687 125.8111 59.4387 39.8142 174.2786 39 D 4.5857 9.0563 128.3166 52.8931 42.1826 175.2754 40 L 4.9738 8.1843 126.0491 52.2747 43.8855 174.8447 41 P 4.3777 0.0000 0.0000 62.5906 32.6263 175.9854 42 Q 4.1736 8.3573 119.4428 55.2444 29.7504 175.8051 43 N 4.4757 8.5460 119.3636 55.1258 39.0433 176.2046 44 G 4.3545 9.1432 111.4017 44.9083 0.0000 173.8107 45 T 3.9314 7.5935 117.5547 63.6658 69.4464 173.5349 46 K 4.7009 8.6405 126.4164 55.7167 33.0922 176.1588 47 L 4.9334 9.2730 125.5885 53.1181 44.7364 175.7588 48 S 5.1994 9.2021 118.3896 56.1137 65.8911 173.7340 49 K 4.0629 9.2327 124.1344 58.7860 32.0919 176.9248 50 G 4.0817 9.4615 115.4817 45.0622 0.0000 173.3398 51 D 4.6501 8.3233 120.6943 53.9688 41.9908 175.7801 52 A 4.1497 8.9830 125.0813 52.5416 18.1819 176.6851 53 A 4.4204 8.9386 124.2886 52.2131 21.6906 175.7192 54 A 4.7431 7.5175 114.9361 50.6301 23.5765 175.1657 55 V 4.7851 8.7368 118.4518 61.2203 34.9308 174.6501 56 V 4.7598 8.8007 121.0773 59.5482 34.6387 174.3991 57 E 5.1672 8.9543 125.0434 54.7096 32.9364 174.7312 58 S 4.9858 8.9168 122.3808 56.4944 65.5325 174.1946 59 V 3.6867 8.5987 120.9618 66.5798 31.3065 177.9356 60 K 4.2357 7.9784 118.8227 56.0578 32.3843 178.2422 61 A 4.6454 7.6378 117.9594 51.6464 22.2294 174.6751 62 A 5.2790 8.1868 120.9028 50.5831 23.0525 175.5802 63 S 4.5866 8.6540 112.6526 57.2643 66.2036 173.5221 64 D 4.8110 8.8287 127.1076 54.1848 41.8558 175.6231 65 V 4.3900 8.5838 122.1839 61.4270 33.8087 174.0585 66 Y 5.2585 9.1160 125.6642 56.0598 40.3047 175.5285 67 A 4.6619 9.2435 125.6403 51.8447 18.8902 177.0310 68 P 4.7556 0.0000 0.0000 64.5306 32.1693 176.1095 69 L 4.9404 7.5443 116.9645 52.8452 45.7495 175.3032 70 D 4.7084 9.3480 121.6276 53.8236 41.5482 177.2361 71 G 3.9411 7.4677 109.2437 45.8835 0.0000 169.9153 72 E 5.0747 7.8372 119.8721 53.9289 32.6331 176.4550 73 V 4.3067 8.8753 127.8919 63.5644 32.0126 176.4359 74 V 4.6581 9.0484 120.3159 61.3914 34.0740 175.3698 75 E 5.1143 8.3772 119.9408 55.4705 32.9255 173.6205 76 I 5.1898 8.4539 118.0102 59.0382 41.5962 174.8076 77 N 3.9628 8.2103 121.6055 52.2592 38.0089 175.5148 78 A 4.0588 8.5230 128.8930 54.2243 18.6034 178.5074 79 A 3.7381 7.9331 119.1539 54.7764 18.1520 179.5480 80 L 4.1067 7.4248 116.0107 57.0270 41.6553 178.9914 81 A 4.0751 7.3006 122.8429 55.7924 18.4399 179.6334 82 E 4.3000 8.0075 114.3377 59.1526 31.8058 178.5908 83 S 5.1915 8.0874 112.8098 54.7112 63.4675 173.0373 84 P 4.2673 0.0000 0.0000 65.4447 31.3158 178.1454 85 E 4.3006 8.1212 116.5378 58.3704 29.4630 178.3806 86 L 4.1821 7.8953 123.4008 57.5128 41.7820 178.9741 87 V 3.5981 7.4792 117.6093 65.9388 31.5369 177.4183 88 N 4.7801 7.8507 116.0603 56.0183 38.2607 176.9769 89 Q 4.2074 8.2997 119.4450 57.9683 29.6939 177.1006 90 K 4.6091 8.5034 118.6494 54.6564 33.2689 177.3591 91 A 4.1404 8.2279 123.2093 55.2204 18.7296 178.7676 92 E 3.6958 7.9878 111.6340 55.8654 31.1250 175.8501 93 T 4.4728 7.8498 106.5482 62.4086 68.8826 175.3302 94 E 4.2518 9.5616 124.0278 58.2946 30.5701 177.5770 95 G 4.0562 8.3726 107.9321 44.7935 0.0000 174.0116 96 W 4.5361 7.8202 116.5811 56.9937 28.8721 175.6383 97 L 4.4666 8.9285 120.5004 56.1867 42.5130 176.5013 98 W 6.1288 7.6376 113.4328 55.3429 32.2717 172.8763 99 K 5.1863 9.7828 119.7687 54.8372 35.0248 175.5006 100 M 5.5162 9.2857 120.7416 53.9012 35.3060 174.0806 101 T 5.0063 8.8137 110.9777 60.0361 71.2180 173.6560 102 V 4.7088 8.3208 125.4716 62.1450 33.7407 176.0008 103 Q 4.3052 8.9747 125.9802 56.7403 28.6963 173.6989 104 D 4.8588 7.8112 117.9027 51.6848 42.4095 175.7991 105 E 4.5407 8.6416 120.3274 58.6951 30.1241 177.0810 106 T 4.0496 8.3101 120.2245 67.6890 68.5287 176.3754 107 Q 3.8785 7.9348 120.8950 59.0847 29.1930 177.7494 108 L 3.8743 7.8214 120.8670 58.1529 42.0740 178.4320 109 E 3.8398 8.4760 118.9479 59.3668 29.3409 179.3360 110 R 3.7853 7.9367 118.4714 59.5519 30.3170 178.6323 111 L 3.9565 7.4678 119.7177 57.0348 41.4370 179.6226 112 L 4.0611 7.9052 119.1504 57.8838 41.3478 179.2271 113 D 4.3629 8.0674 118.0457 57.2445 41.1605 178.2192 114 E 4.0458 8.4770 118.0384 56.4345 29.2600 177.4214 115 A 3.7718 7.6672 120.0340 52.9034 16.9305 178.5400 116 A 4.0827 7.8530 123.5810 56.3836 18.5443 178.6458 117 Y 5.1642 7.4105 111.0342 56.4208 40.6231 175.7481 118 K 4.6873 8.1991 120.3014 54.2379 36.9569 175.4168 119 E 4.4904 8.9706 124.3327 56.3777 30.4078 175.6777 120 L 4.6486 8.8197 130.3622 54.0952 42.9777 176.5056 121 I 4.0283 8.3026 118.9740 60.9636 37.7951 175.3238 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 -12 M 8.15 4.52 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.12 0.00 -11 G 8.39 3.53 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 -10 T 8.24 4.09 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 1.25 0.00 0.00 -9 L 7.97 3.99 0.00 1.65 1.69 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 -8 E 7.67 4.10 0.00 1.91 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 2.32 2.51 0.00 -7 A 8.06 4.11 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 -6 Q 8.25 4.36 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 -5 T 8.17 4.07 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 1.21 0.00 0.00 -4 Q 7.65 3.78 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 -3 G 7.80 3.88 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 0.00 0.00 0.00 -2 P 0.00 4.36 0.00 2.05 2.00 0.00 3.78 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 2.02 2.08 0.00 -1 G 8.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 7.72 4.48 0.00 4.18 4.13 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 1 M 10.12 4.97 0.00 1.93 1.92 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 2.50 2.75 0.00 2 S 8.62 4.40 0.00 4.07 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 3 K 8.13 4.51 0.00 1.80 1.27 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.69 7.81 4 T 8.01 5.05 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 1.19 0.00 0.00 5 Y 9.21 5.38 0.00 2.90 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 6 F 9.28 5.51 0.00 3.12 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 7 T 8.31 4.55 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 8 Q 8.65 4.39 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.56 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 9 D 7.83 4.86 0.00 2.74 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 10 H 8.33 4.41 0.00 3.45 3.46 0.00 5.56 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 11 E 7.65 5.35 0.00 1.89 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 2.21 2.46 0.00 12 W 8.44 5.79 0.00 3.54 3.17 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 13 L 9.26 5.13 0.00 1.66 1.59 1.13 0.91 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 14 S 9.42 5.31 0.00 4.12 3.91 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 15 V 8.60 4.74 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 0.93 0.00 0.00 1.08 0.00 0.00 16 E 8.87 4.78 0.00 1.95 1.70 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 2.17 2.21 0.00 17 G 8.54 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.61 4.47 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.71 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 19 V 7.80 4.29 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 0.83 0.00 0.00 0.91 0.00 0.00 20 V 8.76 4.76 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 0.90 0.00 0.00 0.96 0.00 0.00 21 T 8.72 4.72 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 0.96 0.00 0.00 22 V 7.97 3.86 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 0.09 0.00 0.00 0.38 0.00 0.00 23 G 6.35 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.15 5.00 1.96 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 1.47 0.82 0.93 0.00 0.00 25 T 8.59 4.58 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 1.45 0.00 0.00 26 D 9.60 4.37 0.00 2.76 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 27 Y 8.10 3.86 0.00 3.02 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 28 A 8.28 4.54 1.48 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 29 Q 8.22 4.01 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 30 E 7.99 3.91 0.00 1.98 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 2.41 2.38 0.00 31 Q 8.12 4.06 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 32 L 7.72 4.13 0.00 1.64 1.74 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.10 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 34 D 8.52 4.50 0.00 2.68 2.66 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 35 L 9.13 4.47 0.00 1.59 1.60 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.65 4.43 2.14 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 0.66 0.00 0.00 1.07 0.00 0.00 37 F 7.89 4.80 0.00 3.10 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 38 I 7.17 4.65 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.91 0.79 0.00 0.00 39 D 9.06 4.59 0.00 3.02 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 40 L 8.18 4.97 0.00 1.49 1.54 0.79 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.38 0.00 1.74 1.72 0.00 3.68 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.88 0.00 42 Q 8.36 4.17 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 43 N 8.55 4.48 0.00 2.76 2.77 0.00 0.00 7.24 8.03 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 44 G 9.14 4.35 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 0.00 0.00 0.00 45 T 7.59 3.93 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 1.11 0.00 0.00 46 K 8.64 4.70 0.00 1.63 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.46 7.81 47 L 9.27 4.93 0.00 1.56 1.56 0.73 0.56 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 48 S 9.20 5.20 0.00 3.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.23 4.06 0.00 1.71 1.80 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.62 7.81 50 G 9.46 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 51 D 8.32 4.65 0.00 2.74 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 52 A 8.98 4.15 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 53 A 8.94 4.42 0.52 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 54 A 7.52 4.74 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 55 V 8.74 4.79 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 1.06 0.00 0.00 0.94 0.00 0.00 56 V 8.80 4.76 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 0.71 0.00 0.00 1.02 0.00 0.00 57 E 8.95 5.17 0.00 2.12 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 0.00 2.27 2.28 0.00 58 S 8.92 4.99 0.00 3.95 3.88 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 59 V 8.60 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 0.77 0.00 0.00 0.94 0.00 0.00 60 K 7.98 4.24 0.00 1.82 1.70 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.34 1.00 7.81 61 A 7.64 4.65 1.23 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 62 A 8.19 5.28 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.65 4.59 0.00 3.94 3.70 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 64 D 8.83 4.81 0.00 2.34 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 0.00 0.00 0.00 65 V 8.58 4.39 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 1.27 0.00 0.00 0.95 0.00 0.00 66 Y 9.12 5.26 0.00 3.01 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 67 A 9.24 4.66 1.48 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 68 P 0.00 4.76 0.00 2.20 2.04 0.00 3.96 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 69 L 7.54 4.94 0.00 1.69 1.72 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 D 9.35 4.71 0.00 2.65 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 71 G 7.47 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 72 E 7.84 5.07 0.00 2.05 1.79 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 2.20 2.45 0.00 73 V 8.88 4.31 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 0.98 0.00 0.00 0.63 0.00 0.00 74 V 9.05 4.66 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 0.81 0.00 0.00 1.04 0.00 0.00 75 E 8.38 5.11 0.00 2.10 1.91 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 2.59 2.29 0.00 76 I 8.45 5.19 1.89 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 1.24 0.78 1.03 0.00 0.00 77 N 8.21 3.96 0.00 1.44 2.01 0.00 0.00 7.48 8.37 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 78 A 8.52 4.06 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 79 A 7.93 3.74 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 80 L 7.42 4.11 0.00 1.54 1.56 0.76 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.30 4.08 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 82 E 8.01 4.30 0.00 2.08 1.87 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 2.20 1.96 0.00 83 S 8.09 5.19 0.00 3.90 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 84 P 0.00 4.27 0.00 2.36 2.24 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 85 E 8.12 4.30 0.00 2.17 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 2.35 2.30 0.00 86 L 7.90 4.18 0.00 1.82 1.73 0.96 0.82 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 87 V 7.48 3.60 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 0.92 0.00 0.00 0.95 0.00 0.00 88 N 7.85 4.78 0.00 2.86 2.92 0.00 0.00 7.32 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.30 4.21 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 90 K 8.50 4.61 0.00 1.73 1.71 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.53 7.81 91 A 8.23 4.14 1.47 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 92 E 7.99 3.70 0.00 1.62 1.19 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 1.68 2.13 0.00 93 T 7.85 4.47 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 1.06 0.00 0.00 94 E 9.56 4.25 0.00 2.04 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 2.41 2.37 0.00 95 G 8.37 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 0.00 0.00 0.00 96 W 7.82 4.54 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 97 L 8.93 4.47 0.00 1.65 1.96 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 98 W 7.64 6.13 0.00 3.59 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 99 K 9.78 5.19 0.00 1.69 1.65 0.00 1.37 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.95 0.78 7.81 100 M 9.29 5.52 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.74 0.00 101 T 8.81 5.01 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 V 8.32 4.71 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 0.84 0.00 0.00 1.05 0.00 0.00 103 Q 8.97 4.31 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.26 1.91 0.00 104 D 7.81 4.86 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 0.00 105 E 8.64 4.54 0.00 1.99 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 2.27 1.95 0.00 106 T 8.31 4.05 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 0.00 107 Q 7.93 3.88 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 108 L 7.82 3.87 0.00 1.78 1.74 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.48 3.84 0.00 2.14 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 2.44 0.00 110 R 7.94 3.79 0.00 1.92 1.98 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 111 L 7.47 3.96 0.00 1.47 0.73 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.91 4.06 0.00 1.68 1.58 0.37 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.07 4.36 0.00 2.71 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 0.00 114 E 8.48 4.05 0.00 2.09 1.90 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 2.26 2.33 0.00 115 A 7.67 3.77 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 0.00 116 A 7.85 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.41 5.16 0.00 2.63 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 0.00 118 K 8.20 4.69 0.00 0.79 1.47 0.00 1.39 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.17 7.81 119 E 8.97 4.49 0.00 2.14 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 2.22 2.13 0.00 120 L 8.82 4.65 0.00 1.87 1.66 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.30 4.03 1.86 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 1.29 0.79 0.94 0.00 0.00