NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.6194 8.1776 116.7498 58.4782 64.5942 173.0157 13 S 4.7536 8.2442 120.5596 55.8138 65.3062 172.2107 14 C 4.8393 9.3946 121.6193 57.0129 39.6700 173.6741 15 K 4.6532 8.8168 124.7971 55.0886 37.1124 175.0826 16 R 4.4641 8.3116 121.5171 56.2699 31.1557 175.0690 17 H 4.9817 8.8417 121.7779 53.0651 32.7439 171.4656 18 P 4.5066 0.0000 0.0000 62.9014 32.4121 175.9595 19 L 4.1587 7.6275 121.0427 54.6137 45.4262 172.2456 20 Y 4.5286 8.5914 127.9846 55.6411 40.8793 174.4952 21 V 3.9898 7.5219 127.0040 61.0682 33.8979 173.7200 22 D 4.9922 8.2051 127.2110 52.4712 42.4361 176.6832 23 F 4.5094 8.3626 125.9405 60.2214 38.8217 177.9994 24 S 5.2263 7.9239 116.2422 61.3701 62.5669 175.8145 25 D 4.3663 7.7210 120.0859 57.5809 40.7343 178.8762 26 V 3.9479 7.6643 108.7596 60.1876 32.2635 175.8774 27 G 4.0766 8.6590 107.2698 46.9924 0.0000 174.5524 28 W 5.3479 9.3432 119.1152 56.4095 30.6386 177.7827 29 N 4.6081 8.2638 116.2387 54.1491 37.0726 176.0214 30 D 4.7350 8.1891 118.1017 54.5007 40.3275 176.6160 31 W 5.0100 7.8296 114.2896 55.5021 29.6541 174.3591 32 I 3.9495 6.6075 120.0506 58.9470 36.0333 175.3306 33 V 3.6397 8.1478 124.8236 65.1759 31.6133 176.0023 34 A 4.5625 7.7553 120.4916 50.0989 22.1086 174.2483 35 P 4.7839 0.0000 0.0000 61.3627 33.0973 174.6013 36 P 4.5041 0.0000 0.0000 65.7435 31.5795 175.9725 37 G 3.8162 7.7188 104.6735 45.9460 0.0000 170.5951 38 Y 4.3827 6.6675 116.0829 56.4429 41.8315 173.7952 39 H 4.4876 8.8132 117.1085 54.9451 28.0195 175.0867 40 A 4.1368 7.5996 126.3907 52.0512 20.1014 178.3665 41 F 4.1434 8.0219 115.1748 57.4530 38.8287 172.8400 42 Y 4.9047 8.1425 117.5113 57.1730 41.4247 172.3964 43 C 5.4441 8.7748 116.6906 55.6859 40.6538 173.2052 44 H 4.7535 8.2601 120.8191 55.2448 33.3613 172.1476 45 G 5.0738 8.0869 109.4574 44.1671 0.0000 172.2019 46 E 4.1775 8.8708 122.9317 55.1810 30.4079 175.3358 47 C 4.6943 8.6330 123.9208 55.2090 39.7771 171.6166 48 P 4.3309 0.0000 0.0000 62.9774 31.0577 175.5249 49 F 4.6570 8.2715 114.8460 56.6694 41.7195 171.5417 50 P 4.2340 0.0000 0.0000 62.2221 31.3149 174.2020 51 P 4.1626 0.0000 0.0000 62.9648 31.7125 176.2310 52 A 4.0999 8.4911 125.3103 52.4056 18.4786 175.9033 53 D 4.4259 7.8173 119.6113 57.0429 41.3735 177.6729 54 H 4.7419 7.7710 116.4306 56.2552 28.7643 174.8516 55 L 4.5825 7.7309 122.4223 52.6898 43.4705 175.5618 56 N 4.3910 8.6082 124.8772 54.7143 39.8013 173.2387 57 S 5.1758 8.6560 117.8986 58.3725 65.5786 173.8266 58 T 4.4602 8.3857 116.1106 60.7322 70.7354 175.1329 59 N 4.2481 9.0483 120.9928 57.2409 38.5161 176.9631 60 H 4.0147 8.3306 118.4205 59.3107 29.9122 176.9250 61 A 3.9955 7.7528 122.3851 55.0777 18.2886 179.7614 62 I 3.6695 7.7581 118.4881 64.5265 37.1761 178.8406 63 V 3.5603 7.9619 119.3194 65.9831 31.3181 177.9064 64 Q 3.8837 8.2998 119.6336 59.2622 28.6895 178.2168 65 T 3.8371 7.8313 117.0083 66.2170 68.5535 176.8331 66 L 3.4877 7.6477 120.7587 57.6193 41.7508 179.5423 67 V 3.6066 7.7687 118.1987 65.8582 31.1011 177.5793 68 N 4.9785 8.0179 117.7989 56.1866 38.8821 176.6155 69 S 4.1150 7.1467 114.5184 61.1190 62.8144 176.3970 70 V 3.9300 7.0686 113.4015 61.6810 32.5452 175.8110 71 N 4.9443 8.1805 117.2785 51.8906 40.4315 174.8805 72 S 4.5960 8.3696 119.6462 58.7633 64.0543 176.0290 73 K 3.6723 8.7541 121.6473 58.3532 32.1078 176.4863 74 I 4.2588 6.9360 120.1462 58.8501 37.8214 174.0038 75 P 4.3456 0.0000 0.0000 62.1751 31.7841 175.9217 76 K 4.1348 8.2320 120.9741 55.7112 33.0535 176.0336 77 A 4.2844 7.6534 122.6748 52.0245 19.1184 176.6249 78 C 4.5179 8.4743 119.7746 58.1400 33.8862 173.1816 79 C 5.1062 8.6890 126.0164 56.2907 42.9513 172.6706 80 V 4.7226 9.0520 119.1799 58.8040 36.6079 173.0159 81 P 4.9056 0.0000 0.0000 63.3628 31.0793 176.6736 82 T 4.5809 9.3828 114.2812 61.3761 70.7934 173.8565 83 E 4.6787 8.0210 123.5079 54.6149 32.8489 173.7863 84 L 5.5371 8.7144 126.0409 52.9953 45.6873 175.6542 85 S 4.9334 9.2361 116.2276 56.6324 66.8200 172.4893 86 A 5.3459 8.5282 121.7414 50.3392 21.6135 175.8273 87 I 4.7286 8.1322 111.5164 59.4174 41.2148 174.8121 88 S 5.1702 8.6610 119.5292 58.0987 64.4670 173.4506 89 M 4.9450 9.0460 121.5357 53.6908 36.8438 173.9724 90 L 5.2421 8.9501 122.2167 53.4521 44.0841 175.4082 91 Y 5.1156 8.7839 121.1267 55.9530 42.3405 173.2650 92 L 5.0343 8.6727 119.8965 53.1985 43.6077 177.3417 93 D 5.0247 8.1277 125.9568 52.5545 41.6995 176.3115 94 E 3.9387 8.9878 115.3370 59.8333 29.4674 177.2917 95 N 4.7286 8.8338 114.6814 52.3019 38.6521 174.4977 96 E 3.7406 7.8773 116.0136 57.5040 27.4036 174.5343 97 K 4.4646 7.9391 117.7648 54.5115 34.1477 176.8980 98 V 3.8069 8.3887 125.7832 63.2365 32.2166 175.2857 99 V 4.2795 8.8519 126.9310 60.9049 35.1513 173.7664 100 L 5.0048 8.5712 129.3291 53.4642 43.1738 175.0372 101 K 4.7656 8.9720 127.6859 54.5935 36.0021 174.4574 102 N 5.1083 8.7632 123.2615 52.6973 39.8997 173.9124 103 Y 4.4893 8.8723 121.8190 56.2323 39.9252 175.7895 104 Q 4.1616 8.8047 123.4150 55.3746 29.9415 175.5538 105 D 4.4570 8.2799 118.3998 56.4650 38.3026 173.6652 106 M 4.7626 8.0028 116.8409 55.5655 35.3652 178.3610 107 V 4.8168 8.1503 119.0717 60.8504 34.3296 175.0939 108 V 4.2885 8.7739 128.8329 63.1035 31.4276 175.3606 109 E 4.4320 9.3306 127.0707 56.2385 31.4130 176.2991 110 G 4.1408 7.5712 104.4464 45.4638 0.0000 173.1935 111 C 5.6151 8.6535 119.5890 55.3879 40.9252 172.8422 112 G 4.0723 8.8957 106.9614 46.2865 0.0000 170.9343 113 C 5.5459 8.6748 116.9591 55.3104 42.5777 175.0294 114 R 4.2986 8.8837 121.7309 56.4534 30.4211 175.0932 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 S 8.18 4.62 0.00 3.83 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 13 S 8.24 4.75 0.00 3.99 4.03 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 0.00 0.00 0.00 14 C 9.39 4.84 0.00 3.01 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 15 K 8.82 4.65 0.00 1.64 1.54 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.37 7.81 16 R 8.31 4.46 0.00 1.72 1.71 0.00 2.66 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 17 H 8.84 4.98 0.00 1.75 2.90 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.51 0.00 1.96 1.94 0.00 3.79 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 2.07 2.18 0.00 19 L 7.63 4.16 0.00 1.90 1.50 0.74 0.66 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 20 Y 8.59 4.53 0.00 2.71 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 21 V 7.52 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.53 0.00 0.00 22 D 8.21 4.99 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 4.51 0.00 3.34 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 24 S 7.92 5.23 0.00 4.14 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 25 D 7.72 4.37 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 3.95 1.58 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 0.52 0.00 0.00 0.92 0.00 0.00 27 G 8.66 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 28 W 9.34 5.35 0.00 3.68 3.12 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 29 N 8.26 4.61 0.00 2.97 3.19 0.00 0.00 5.99 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 30 D 8.19 4.74 0.00 2.93 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 31 W 7.83 5.01 0.00 3.58 3.26 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 32 I 6.61 3.95 1.04 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.05 0.00 0.00 33 V 8.15 3.64 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 0.74 0.00 0.00 0.89 0.00 0.00 34 A 7.76 4.56 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 35 P 0.00 4.78 0.00 2.48 2.18 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.04 0.00 36 P 0.00 4.50 0.00 2.37 2.44 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 37 G 7.72 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 38 Y 6.67 4.38 0.00 3.01 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 39 H 8.81 4.49 0.00 3.02 2.83 0.00 5.89 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 40 A 7.60 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.02 4.14 0.00 3.23 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 42 Y 8.14 4.90 0.00 3.05 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 43 C 8.77 5.44 0.00 2.90 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 44 H 8.26 4.75 0.00 3.14 2.94 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.09 5.07 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 46 E 8.87 4.18 0.00 1.98 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 2.29 2.28 0.00 47 C 8.63 4.69 0.00 3.11 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 48 P 0.00 4.33 0.00 2.19 2.13 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 49 F 8.27 4.66 0.00 2.89 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 50 P 0.00 4.23 0.00 2.12 1.85 0.00 3.54 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 51 P 0.00 4.16 0.00 2.10 2.12 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 52 A 8.49 4.10 1.24 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 53 D 7.82 4.43 0.00 2.47 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 54 H 7.77 4.74 0.00 3.15 3.29 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.73 4.58 0.00 1.55 1.55 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.61 4.39 0.00 2.85 2.70 0.00 0.00 6.60 7.36 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 57 S 8.66 5.18 0.00 3.89 3.67 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 58 T 8.39 4.46 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 59 N 9.05 4.25 0.00 2.80 2.95 0.00 0.00 6.54 8.16 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 60 H 8.33 4.01 0.00 3.26 3.32 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.75 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.76 3.67 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.29 0.93 0.00 0.00 63 V 7.96 3.56 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 0.92 0.00 0.00 0.93 0.00 0.00 64 Q 8.30 3.88 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 65 T 7.83 3.84 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 1.26 0.00 0.00 66 L 7.65 3.49 0.00 1.92 1.60 0.96 0.61 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 67 V 7.77 3.61 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 0.86 0.00 0.00 0.93 0.00 0.00 68 N 8.02 4.98 0.00 2.80 2.88 0.00 0.00 7.16 7.80 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 69 S 7.15 4.12 0.00 3.97 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 70 V 7.07 3.93 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 0.71 0.00 0.00 0.95 0.00 0.00 71 N 8.18 4.94 0.00 2.61 2.72 0.00 0.00 7.19 7.67 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 72 S 8.37 4.60 0.00 3.90 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 73 K 8.75 3.67 0.00 1.66 1.93 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.41 7.81 74 I 6.94 4.26 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 0.88 0.00 0.00 75 P 0.00 4.35 0.00 2.17 2.05 0.00 3.76 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 1.98 1.95 0.00 76 K 8.23 4.13 0.00 1.72 1.77 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.39 7.81 77 A 7.65 4.28 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 78 C 8.47 4.52 0.00 3.03 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 79 C 8.69 5.11 0.00 3.11 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 80 V 9.05 4.72 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 0.73 0.00 0.00 0.95 0.00 0.00 81 P 0.00 4.91 0.00 1.98 2.05 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 82 T 9.38 4.58 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 1.24 0.00 0.00 83 E 8.02 4.68 0.00 1.99 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 2.26 2.32 0.00 84 L 8.71 5.54 0.00 1.56 1.57 0.98 0.98 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 85 S 9.24 4.93 0.00 3.87 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 86 A 8.53 5.35 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 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.13 4.73 1.80 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.56 0.90 0.00 0.00 88 S 8.66 5.17 0.00 3.80 3.87 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 89 M 9.05 4.95 0.00 1.62 1.61 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 90 L 8.95 5.24 0.00 1.50 1.53 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.78 5.12 0.00 3.01 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 92 L 8.67 5.03 0.00 1.65 1.66 0.95 0.88 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 93 D 8.13 5.02 0.00 2.94 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 94 E 8.99 3.94 0.00 2.09 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 2.29 2.34 0.00 95 N 8.83 4.73 0.00 2.65 2.86 0.00 0.00 7.07 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 96 E 7.88 3.74 0.00 2.16 2.05 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 2.26 2.28 0.00 97 K 7.94 4.46 0.00 1.92 1.66 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 V 8.39 3.81 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 0.66 0.00 0.00 0.89 0.00 0.00 99 V 8.85 4.28 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 0.00 0.00 0.86 0.00 0.00 0.66 0.00 0.00 100 L 8.57 5.00 0.00 1.64 1.55 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.97 4.77 0.00 2.05 1.99 0.00 1.68 0.00 0.00 1.00 0.00 0.00 2.60 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.99 1.28 7.81 102 N 8.76 5.11 0.00 2.63 2.74 0.00 0.00 6.85 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 0.00 103 Y 8.87 4.49 0.00 2.98 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 0.00 104 Q 8.80 4.16 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 105 D 8.28 4.46 0.00 2.86 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 0.00 106 M 8.00 4.76 0.00 1.82 2.12 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.83 0.00 107 V 8.15 4.82 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 1.38 0.00 0.00 1.28 0.00 0.00 108 V 8.77 4.29 2.19 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 0.79 0.00 0.00 1.10 0.00 0.00 109 E 9.33 4.43 0.00 1.89 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 2.21 2.34 0.00 110 G 7.57 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 0.00 0.00 0.00 111 C 8.65 5.62 0.00 2.81 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 0.00 112 G 8.90 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 0.00 113 C 8.67 5.55 0.00 2.93 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 0.00 114 R 8.88 4.30 0.00 1.62 1.77 0.00 3.37 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00