NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4327 8.3349 115.4057 58.1600 64.1560 175.6279 4 V 4.2321 8.2194 111.2651 56.2177 33.7453 172.6328 5 P 4.1749 0.0000 0.0000 62.6413 32.1956 174.0557 6 P 5.1618 0.0000 0.0000 61.7892 32.2285 175.7777 7 G 4.1866 8.4101 107.0384 45.6800 0.0000 172.7752 8 D 5.3619 8.6657 119.7453 52.6528 41.5417 175.1691 9 I 4.7236 7.9714 111.9230 59.0921 40.8329 174.1451 10 N 5.1185 8.8903 120.3861 51.5911 41.5676 173.9396 11 T 5.6475 8.2135 111.7682 59.0294 72.8542 172.8889 12 Q 4.4912 8.2567 121.1145 53.4169 32.4004 173.3682 13 P 4.8382 0.0000 0.0000 62.1264 32.6904 176.0015 14 G 4.2584 8.0318 106.5476 45.3942 0.0000 172.6389 15 S 4.8181 7.9952 116.7849 59.1785 70.0800 174.9857 16 K 4.4973 7.7457 116.0825 56.9831 35.2467 174.3417 17 I 4.3542 8.1583 119.2674 60.2217 41.5813 173.7358 18 V 4.8676 8.3024 129.3523 61.3129 33.4699 174.4961 19 F 4.7995 9.6733 126.7548 55.9364 41.1301 174.2943 20 N 5.4050 9.4014 121.9935 51.8821 39.8722 175.2528 21 A 3.0348 8.6840 125.8048 50.5110 19.4907 175.1059 22 P 3.9207 0.0000 0.0000 62.3566 32.2021 176.8735 23 Y 4.7763 7.4997 119.4398 57.2567 36.4498 175.7064 24 D 5.0735 7.8178 115.8073 53.8413 43.3791 175.5404 25 D 4.7729 7.8283 117.0686 52.4967 45.2572 174.1635 26 K 5.1327 8.6062 122.1685 55.5866 32.4303 175.2934 27 H 4.7201 9.0319 127.9687 55.4164 32.0920 174.0852 28 T 4.7493 7.7553 120.3350 62.2752 70.6462 173.1849 29 Y 4.6059 9.1261 125.3792 57.1644 40.4860 174.2012 30 H 5.5270 8.7372 116.0617 54.4654 33.0080 173.4069 31 I 4.8560 8.9104 119.9443 59.6185 42.0067 174.2236 32 K 4.8350 8.8602 127.2111 54.9097 34.1677 174.6957 33 I 4.6649 8.8252 129.2597 59.9414 39.5090 174.9689 34 T 4.7400 8.5594 123.0772 61.6609 72.5412 173.0786 35 N 4.8569 9.0466 125.4787 53.1672 38.1156 174.9873 36 A 4.3111 8.5290 127.7220 53.4927 19.2385 177.6387 37 G 3.8516 8.5551 105.0770 45.3428 0.0000 173.5919 38 G 3.8144 8.5183 106.8222 46.2416 0.0000 174.2417 39 R 4.5977 7.5319 116.8269 53.7017 32.7032 175.3323 40 R 4.4536 8.2121 118.9131 57.2595 31.0200 175.6231 41 I 4.7864 8.5629 112.1362 59.9236 41.6555 173.8566 42 G 4.9194 9.5159 110.7551 44.3178 0.0000 171.9685 43 W 6.3000 9.5000 121.2594 55.1793 32.1351 173.9422 44 A 4.9656 9.9540 122.1436 50.8846 22.4530 175.0467 45 I 5.0994 8.5176 121.1834 59.6241 39.3821 175.4163 46 K 4.6846 9.4357 126.9501 55.0558 35.6058 175.5389 47 T 5.5200 8.3884 116.9062 59.7844 71.5512 173.9242 48 T 4.5176 8.4436 115.5454 63.6939 69.7550 175.0322 49 N 4.9308 7.9639 120.7740 51.8078 39.6300 174.1394 50 M 4.0368 8.2863 121.8253 57.9822 32.8213 178.5676 51 R 4.0023 8.1043 116.6884 59.3168 30.8540 177.8521 52 R 3.9980 8.2393 117.7630 58.8468 30.3130 176.5443 53 L 5.4543 7.1223 115.8448 53.6969 43.4854 175.9606 54 G 4.2732 8.2239 104.6891 45.4909 0.0000 172.4914 55 V 5.1156 8.2641 121.9353 59.4325 35.5934 174.0204 56 D 4.9330 8.0002 122.5528 53.4107 44.0377 174.1302 57 P 4.7814 0.0000 0.0000 62.0531 32.4468 174.3873 58 P 4.7689 0.0000 0.0000 64.1845 32.5129 175.3086 59 S 3.1232 7.0402 112.3910 57.6124 65.2133 175.0358 60 G 3.6447 5.4217 106.9822 45.9560 0.0000 171.7423 61 V 5.2339 8.5839 118.9961 61.0747 34.3422 175.3186 62 L 5.1311 8.9122 126.3504 53.1882 45.5576 176.8899 63 D 5.1203 10.4387 125.0414 53.2964 42.4794 174.0625 64 P 4.4586 0.0000 0.0000 63.9142 32.2966 177.2116 65 S 3.8848 8.9577 115.1095 59.0546 61.7397 171.3794 66 E 4.5255 7.6897 121.8346 55.7881 30.8966 175.1449 67 K 5.2214 8.2837 121.1066 55.5516 35.9627 175.4209 68 V 4.5236 9.0999 119.9504 60.0805 35.5004 173.9929 69 L 5.0382 8.5682 123.8965 53.8012 43.5367 175.0852 70 M 4.7365 8.9856 124.5436 53.4479 34.3727 174.6600 71 A 4.9246 8.5940 122.6391 50.5007 21.1498 176.0819 72 V 4.5420 8.5751 123.4011 62.1779 33.5276 175.1566 73 S 5.5339 8.9642 122.6691 57.1464 66.9126 172.9141 74 C 5.0130 8.9489 121.8167 58.2484 34.4962 173.2930 75 D 5.1489 8.7306 126.5118 53.4983 42.0892 175.6559 76 T 4.3376 8.5725 111.7721 62.4218 69.4709 174.1697 77 F 4.7797 7.4729 114.0968 57.3542 41.7590 173.5847 78 N 4.8045 8.6971 110.9220 51.2547 38.5398 175.7706 79 A 4.1538 7.9699 122.7126 53.9724 19.4740 179.2256 80 A 4.2118 8.8094 119.2554 55.1198 18.8878 179.2860 81 T 4.0662 7.7263 104.3383 63.8995 69.2630 175.0016 82 E 4.3865 7.8114 120.2250 54.5336 31.2066 174.7009 83 D 4.6385 8.1206 119.1770 54.1797 41.8817 175.6909 84 L 4.8689 8.2740 121.6238 54.5018 43.8397 176.7174 85 N 4.8450 9.2576 116.0006 53.5003 39.2605 175.1892 86 N 5.0162 8.1042 115.5261 52.9634 39.5024 173.6772 87 D 5.0022 7.8892 116.9170 53.1695 43.3077 175.5947 88 R 4.6626 8.1418 118.8073 55.3792 34.4988 173.5105 89 I 4.8210 9.1736 124.1664 59.5916 40.6024 173.9261 90 C 5.1635 9.9107 128.7675 57.6804 33.8527 172.2315 91 I 5.0256 9.0483 127.4627 59.7088 39.4970 174.2993 92 E 5.7530 9.6180 127.3558 54.4933 32.6105 175.2619 93 W 6.2755 9.3853 120.0097 56.2329 32.3400 173.2080 94 T 4.6943 9.0296 114.4297 60.8375 71.0683 172.7798 95 N 4.9403 8.6179 122.2184 53.2767 39.3793 174.2836 96 T 4.1745 7.6756 109.3585 58.6331 71.1443 172.7129 97 P 4.1292 0.0000 0.0000 64.0656 31.8455 178.1426 98 D 4.3692 8.1483 122.5894 56.8734 41.2928 177.5626 99 G 4.0216 7.8919 107.1875 43.2108 0.0000 171.1760 100 A 4.7855 7.9958 126.0073 50.5302 21.9322 176.1694 101 A 4.6741 8.3567 122.4627 50.3222 20.4335 178.5750 102 K 4.2743 8.5927 122.5167 56.2473 30.0169 174.7439 103 Q 4.4383 8.0864 116.8925 54.7950 31.8274 173.4593 104 F 4.6048 9.2535 128.4841 58.6008 40.1125 174.5211 105 R 3.5993 5.8400 125.4309 53.6886 31.5074 175.8789 106 R 3.7562 7.9615 124.4591 59.5149 30.7021 177.8934 107 E 4.2335 8.0283 118.2269 58.8654 29.1143 179.2578 108 W 4.6319 7.7428 117.6111 59.9668 29.0898 178.2255 109 F 4.2244 8.4966 116.9976 60.1824 38.8805 177.4817 110 Q 4.3354 8.3273 117.3715 58.5862 28.5344 177.4935 111 G 4.1841 7.7182 106.5780 45.4314 0.0000 171.8884 112 D 4.7092 8.6932 118.2075 51.5722 41.0182 177.7830 113 G 3.7911 7.4981 107.3485 46.2524 0.0000 170.9003 114 M 4.5936 8.0295 121.3861 53.4418 34.3076 175.2675 115 V 4.2566 7.9873 121.6781 61.1169 34.5350 174.4395 116 R 4.2585 8.3742 128.1954 54.8085 32.0573 174.9801 117 R 5.4712 7.8903 121.2698 54.7006 34.7143 174.4368 118 K 4.7889 9.6415 122.1113 55.2422 36.0938 174.3602 119 N 5.4877 8.9420 124.1294 51.5442 40.9759 174.1563 120 L 4.7349 8.9627 123.9759 52.2932 44.4095 174.0423 121 P 4.7946 0.0000 0.0000 62.2166 33.3480 175.0359 122 I 4.5256 7.6764 122.9415 60.2431 38.3871 174.6969 123 E 4.4684 9.1165 128.7017 54.5941 31.6263 174.0903 124 Y 5.0250 8.5764 125.3390 57.2871 39.3065 174.3872 125 N 4.9198 10.2232 125.1914 51.9744 40.8500 174.9409 126 L 4.2644 8.5854 125.3442 54.9586 41.9926 176.5349 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 3 S 8.33 4.43 0.00 3.95 3.22 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 4 V 8.22 4.23 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 0.74 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.17 0.00 2.15 2.05 0.00 3.74 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 1.99 1.97 0.00 6 P 0.00 5.16 0.00 2.17 2.18 0.00 2.98 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 7 G 8.41 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 0.00 0.00 0.00 0.00 8 D 8.67 5.36 0.00 2.87 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 9 I 7.97 4.72 1.37 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 0.40 0.00 0.00 10 N 8.89 5.12 0.00 2.48 2.64 0.00 0.00 6.88 7.09 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 11 T 8.21 5.65 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 1.07 0.00 0.00 12 Q 8.26 4.49 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 13 P 0.00 4.84 0.00 2.11 2.07 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 14 G 8.03 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 0.00 0.00 0.00 0.00 15 S 8.00 4.82 0.00 3.70 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 16 K 7.75 4.50 0.00 1.76 1.75 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.67 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.36 7.81 17 I 8.16 4.35 1.82 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.11 1.03 0.00 0.00 18 V 8.30 4.87 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 1.03 0.00 0.00 0.93 0.00 0.00 19 F 9.67 4.80 0.00 2.97 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 20 N 9.40 5.41 0.00 2.67 2.77 0.00 0.00 7.04 7.82 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 21 A 8.68 3.03 0.62 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 0.00 0.00 22 P 0.00 3.92 0.00 1.95 1.90 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 23 Y 7.50 4.78 0.00 2.50 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 0.00 0.00 0.00 24 D 7.82 5.07 0.00 2.50 2.64 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 25 D 7.83 4.77 0.00 2.65 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 26 K 8.61 5.13 0.00 1.89 1.79 0.00 1.69 0.00 0.00 2.33 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.37 7.81 27 H 9.03 4.72 0.00 3.46 3.40 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.76 4.75 4.15 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 1.26 0.00 0.00 29 Y 9.13 4.61 0.00 2.70 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 30 H 8.74 5.53 0.00 2.94 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.91 4.86 1.76 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 1.08 0.78 0.84 0.00 0.00 32 K 8.86 4.83 0.00 1.75 1.57 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.34 7.81 33 I 8.83 4.66 1.27 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.29 0.40 0.00 0.00 34 T 8.56 4.74 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 1.13 0.00 0.00 35 N 9.05 4.86 0.00 2.75 2.79 0.00 0.00 6.74 7.72 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 36 A 8.53 4.31 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 37 G 8.56 3.85 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 0.00 0.00 0.00 38 G 8.52 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 39 R 7.53 4.60 0.00 1.78 1.82 0.00 3.22 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 40 R 8.21 4.45 0.00 1.65 1.83 0.00 3.17 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 41 I 8.56 4.79 2.26 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 0.94 1.12 0.00 0.00 42 G 9.52 4.92 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 43 W 9.50 6.30 0.00 3.57 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 44 A 9.95 4.97 0.60 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 45 I 8.52 5.10 2.11 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 1.53 1.07 0.97 0.00 0.00 46 K 9.44 4.68 0.00 1.74 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 47 T 8.39 5.52 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 1.22 0.00 0.00 48 T 8.44 4.52 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 49 N 7.96 4.93 0.00 2.60 2.53 0.00 0.00 7.15 7.65 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 50 M 8.29 4.04 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 51 R 8.10 4.00 0.00 1.95 1.96 0.00 3.17 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 R 8.24 4.00 0.00 1.77 1.75 0.00 2.68 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 53 L 7.12 5.45 0.00 1.56 1.62 0.78 0.63 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 54 G 8.22 4.27 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 0.00 55 V 8.26 5.12 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 1.01 0.00 0.00 0.97 0.00 0.00 56 D 8.00 4.93 0.00 2.87 2.51 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 57 P 0.00 4.78 0.00 2.31 2.09 0.00 3.93 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 2.32 2.09 0.00 58 P 0.00 4.77 0.00 2.12 2.32 0.00 3.44 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 59 S 7.04 3.12 0.00 2.72 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 60 G 5.42 3.64 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 0.00 61 V 8.58 5.23 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 0.99 0.00 0.00 1.21 0.00 0.00 62 L 8.91 5.13 0.00 1.82 1.57 1.43 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 D 10.44 5.12 0.00 2.60 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 64 P 0.00 4.46 0.00 2.22 2.33 0.00 3.83 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 2.06 2.16 0.00 65 S 8.96 3.88 0.00 4.00 4.04 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 0.00 0.00 0.00 66 E 7.69 4.53 0.00 2.09 1.92 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 2.33 2.28 0.00 67 K 8.28 5.22 0.00 1.71 1.64 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 68 V 9.10 4.52 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 0.42 0.00 0.00 1.00 0.00 0.00 69 L 8.57 5.04 0.00 1.60 1.60 0.91 0.98 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 70 M 8.99 4.74 0.00 1.96 2.29 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 71 A 8.59 4.92 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 72 V 8.58 4.54 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 1.25 0.00 0.00 0.98 0.00 0.00 73 S 8.96 5.53 0.00 3.90 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 74 C 8.95 5.01 0.00 3.63 3.30 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 75 D 8.73 5.15 0.00 2.82 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 76 T 8.57 4.34 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 1.29 0.00 0.00 77 F 7.47 4.78 0.00 3.09 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 78 N 8.70 4.80 0.00 2.72 2.74 0.00 0.00 6.77 8.15 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 79 A 7.97 4.15 1.39 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 0.00 0.00 80 A 8.81 4.21 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 81 T 7.73 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 1.23 0.00 0.00 82 E 7.81 4.39 0.00 1.82 1.83 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 2.28 2.51 0.00 83 D 8.12 4.64 0.00 2.60 2.50 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 84 L 8.27 4.87 0.00 1.76 1.74 1.02 0.81 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 85 N 9.26 4.84 0.00 2.67 2.87 0.00 0.00 6.72 8.07 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 86 N 8.10 5.02 0.00 2.66 2.77 0.00 0.00 6.88 8.06 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 87 D 7.89 5.00 0.00 2.52 2.41 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 88 R 8.14 4.66 0.00 1.86 1.69 0.00 3.03 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 89 I 9.17 4.82 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.91 0.00 0.00 90 C 9.91 5.16 0.00 2.86 2.81 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 91 I 9.05 5.03 2.09 0.00 0.00 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 1.25 0.65 0.95 0.00 0.00 92 E 9.62 5.75 0.00 2.13 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 2.36 2.34 0.00 93 W 9.39 6.28 0.00 3.78 3.46 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 94 T 9.03 4.69 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 0.40 0.00 0.00 95 N 8.62 4.94 0.00 2.76 2.65 0.00 0.00 6.42 7.05 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 96 T 7.68 4.17 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 -0.24 0.00 0.00 97 P 0.00 4.13 0.00 2.16 2.09 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.21 0.00 98 D 8.15 4.37 0.00 2.67 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 99 G 7.89 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 0.00 0.00 0.00 0.00 100 A 8.00 4.79 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 0.00 101 A 8.36 4.67 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 0.00 102 K 8.59 4.27 0.00 1.82 1.89 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 103 Q 8.09 4.44 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 104 F 9.25 4.60 0.00 2.99 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 0.00 105 R 5.84 3.60 0.00 0.67 0.66 0.00 2.97 0.00 0.00 2.80 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.96 0.00 106 R 7.96 3.76 0.00 1.90 1.85 0.00 3.31 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 1.67 1.83 0.00 107 E 8.03 4.23 0.00 1.74 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 2.28 2.38 0.00 108 W 7.74 4.63 0.00 3.34 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 0.00 109 F 8.50 4.22 0.00 3.21 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 0.00 110 Q 8.33 4.34 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 111 G 7.72 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 0.00 112 D 8.69 4.71 0.00 2.77 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 0.00 113 G 7.50 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 0.00 114 M 8.03 4.59 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 115 V 7.99 4.26 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 0.84 0.00 0.00 0.96 0.00 0.00 116 R 8.37 4.26 0.00 0.67 0.66 0.00 2.72 0.00 0.00 2.95 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.20 0.00 117 R 7.89 5.47 0.00 1.68 1.83 0.00 3.25 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 118 K 9.64 4.79 0.00 2.09 1.72 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.52 7.81 119 N 8.94 5.49 0.00 2.65 2.72 0.00 0.00 6.84 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 0.00 120 L 8.96 4.73 0.00 1.52 1.55 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.79 0.00 2.07 2.13 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 122 I 7.68 4.53 1.50 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 0.77 0.07 -0.38 0.00 0.00 123 E 9.12 4.47 0.00 1.94 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 2.23 2.25 0.00 124 Y 8.58 5.03 0.00 3.02 3.04 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 0.00 0.00 0.00 125 N 10.22 4.92 0.00 2.91 2.90 0.00 0.00 6.70 5.12 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 0.00 126 L 8.59 4.26 0.00 1.72 1.57 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00