NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4850 8.3044 120.3345 54.8812 33.1597 174.9214 2 V 3.5561 8.2974 124.4007 61.5737 32.2960 171.8827 3 E 4.0953 9.4218 128.8163 55.9832 31.0960 175.3329 4 I 4.2549 8.2986 127.2573 59.9668 38.3567 174.6595 5 N 5.1024 8.2875 123.3437 50.7602 40.1386 174.4521 6 N 4.3915 8.5562 114.5836 56.6878 38.8660 177.0163 7 Q 4.0943 8.1430 119.2692 59.2477 28.8735 178.9971 8 R 4.1209 8.9823 119.3180 59.0525 30.0519 179.0372 9 K 3.9689 8.1954 119.4052 59.2987 32.1570 178.7751 10 A 3.9194 8.2818 121.5095 54.8059 18.2819 179.2249 11 F 4.3425 9.0024 119.7098 61.4461 39.4109 177.2607 12 L 3.7061 8.2416 118.5804 57.9779 41.5288 179.1137 13 D 4.4192 8.1234 118.6208 57.7222 40.7901 178.5695 14 M 4.0436 8.5799 118.8429 58.8074 32.1512 178.3392 15 L 3.7326 7.9311 118.9985 57.5625 41.5943 179.2077 16 A 4.1502 8.5009 122.4586 53.9971 18.1970 179.4390 17 W 4.1562 8.2991 126.6601 60.1443 30.7963 178.1022 18 S 3.3995 8.5281 112.6891 61.3701 61.7599 175.2666 19 E 4.0728 8.5733 117.6626 56.8390 29.6302 176.5686 20 G 3.6599 7.9935 107.1932 47.1525 0.0000 174.4838 21 T 4.3760 8.7164 111.0189 61.5852 71.2029 173.2503 22 D 4.9862 7.7118 119.9732 52.1526 40.8336 173.9521 23 N 5.2508 7.8973 113.4279 51.7263 38.9276 175.4989 24 G 4.3256 8.5608 111.5319 46.4763 0.0000 175.3948 25 R 3.9206 7.7522 118.6769 58.3090 30.7463 175.8464 26 Q 3.8115 8.6554 117.2863 56.3174 29.4517 176.7873 27 K 4.3240 8.4547 126.1913 56.8231 33.0277 175.7377 28 T 4.3930 7.7915 116.5659 61.4118 69.9749 173.6179 29 R 4.2468 9.6669 127.6987 57.5801 31.3899 176.6470 30 N 4.8982 7.8623 118.0302 53.6204 40.5681 175.3185 31 H 4.6885 9.1008 105.8728 54.3812 28.5706 175.4558 32 G 4.1786 8.5738 109.3798 45.3753 0.0000 174.0938 33 Y 4.4070 7.3837 116.3518 60.1233 38.1411 176.9290 34 D 3.3700 7.7289 117.2819 52.0251 40.6307 176.0578 35 V 3.9273 7.5031 121.9887 62.9466 32.2828 174.9685 36 I 4.8730 8.4386 127.9597 59.0334 39.4318 175.7343 37 V 4.3894 7.5821 122.1951 62.6195 31.6724 176.4950 38 G 3.9295 8.3530 110.3486 44.6410 0.0000 174.2751 39 G 4.5162 7.7017 106.5847 44.9038 0.0000 173.8392 40 E 4.3217 8.1459 118.7311 56.4289 30.9371 175.6052 41 L 5.4689 8.3770 119.9826 52.9744 45.2098 176.0137 42 F 5.1969 8.5319 115.7558 55.4986 40.1365 175.1734 43 T 4.3295 8.7799 108.4672 61.3272 70.4478 173.3698 44 D 4.8535 8.1277 122.1389 53.2486 42.3086 175.1768 45 Y 4.8451 8.6549 122.7851 57.8256 39.0987 177.5051 46 S 4.3413 8.2992 115.6432 60.9652 63.2250 173.1269 47 D 4.8415 7.5921 118.0044 52.8967 43.7273 173.6728 48 H 2.5800 7.8514 121.4821 54.6165 29.9906 174.2954 49 P 3.5030 0.0000 0.0000 63.9281 31.1512 176.2516 50 R 3.5277 6.9790 116.5684 56.7565 28.2178 175.9250 51 K 4.2084 7.7801 117.7171 54.6128 33.2079 175.1153 52 L 4.3927 8.3483 129.4124 54.4133 42.3060 175.6201 53 V 4.1820 8.6232 128.3434 61.8922 33.0001 174.8677 54 T 4.4101 8.4705 119.0372 61.3715 68.9479 174.6378 55 L 4.1680 8.6075 127.3699 56.5838 42.0981 176.8203 56 N 5.1511 7.5725 113.4101 49.8196 40.6416 173.0249 57 P 4.2776 0.0000 0.0000 65.3631 31.3038 177.3952 58 K 4.4407 7.4798 115.8652 55.7677 32.5750 175.2960 59 L 4.6646 8.2047 119.0007 54.1574 45.2161 174.4277 60 K 5.1587 8.2183 122.3670 55.1722 36.4560 175.4166 61 S 4.6448 8.7671 113.3738 57.6654 65.3776 174.8681 62 T 4.4000 8.4678 115.2143 61.7411 69.8307 175.0502 63 G 3.9185 7.6334 111.0503 46.1131 0.0000 172.5114 64 A 4.9662 8.8232 125.9433 51.6815 22.7985 175.9742 65 G 4.7063 9.1880 108.7241 44.9959 0.0000 174.8073 66 R 3.4537 9.0349 118.1224 58.7682 29.5622 177.8223 67 Y 4.4069 6.9551 112.2849 58.3250 38.9143 176.0315 68 Q 3.4879 8.0610 116.5382 56.9587 27.0750 174.3326 69 L 4.7496 8.5166 120.9106 54.5295 43.5076 176.2536 70 L 4.5284 8.8295 126.2366 54.7304 43.6461 178.4170 71 S 3.9983 8.2837 116.7002 61.1778 62.9435 176.6205 72 R 3.5498 7.8368 122.1018 59.4360 29.5970 178.3655 73 W 4.4024 7.4980 117.6123 59.0338 29.1666 178.2766 74 W 4.6733 8.2086 128.3147 60.8663 30.2056 177.7242 75 D 3.9196 8.4419 118.8302 57.0719 40.1353 178.4021 76 A 3.7557 7.6358 120.9325 55.6790 18.4185 179.4236 77 Y 4.1063 8.4625 115.3240 60.9322 38.0007 178.8660 78 R 3.7325 7.9713 117.6362 58.7268 29.2964 179.0358 79 K 3.7497 7.6934 120.2814 59.3016 32.0698 178.3547 80 Q 3.9694 7.9660 118.8080 58.9233 28.9303 177.8086 81 L 4.6578 8.3109 116.6219 53.0681 42.2519 176.4207 82 G 4.0198 7.9036 106.5272 46.2292 0.0000 174.2877 83 L 4.2017 8.1490 119.7447 54.0018 41.5258 177.4521 84 K 4.0758 8.5153 125.4410 58.0116 32.5744 178.3010 85 D 5.8500 7.7491 118.5397 51.6344 41.9830 175.8483 86 F 4.7759 8.7417 120.6504 57.8644 39.5662 176.4810 87 S 4.3052 8.3043 114.2224 57.3923 64.4805 172.3413 88 P 3.1914 0.0000 0.0000 65.0185 30.6630 178.6625 89 K 3.8095 7.7664 118.0018 59.9580 32.2260 178.8978 90 S 4.4278 8.0661 114.8703 61.6801 62.6762 176.7710 91 Q 4.2560 8.1876 121.1748 58.8660 28.2913 178.4597 92 D 4.5129 8.7443 120.1824 57.1536 41.1187 178.2042 93 A 4.0474 8.1640 121.5037 55.5163 18.3289 179.8663 94 V 3.2933 8.0216 115.4930 66.0171 31.7437 177.6602 95 A 4.2522 7.9135 120.2855 55.7407 18.0963 179.7411 96 L 3.9513 8.2266 117.3502 57.8193 41.5346 179.5934 97 Q 3.9143 7.7693 119.3222 59.0743 28.8440 178.3166 98 Q 3.8850 7.7844 119.0923 58.8573 28.8713 178.5124 99 I 3.7272 7.8759 120.8484 64.4739 37.2079 178.3343 100 K 3.9095 8.5372 120.5595 59.6431 31.7373 178.6427 101 E 4.0413 8.1596 118.2313 59.2460 29.4784 178.8320 102 R 4.2074 8.0829 115.2749 55.8928 30.0234 176.7019 103 G 3.8979 7.7805 106.4489 46.7417 0.0000 174.9160 104 A 4.4478 7.5745 119.1263 51.5746 19.3239 179.3848 105 L 3.9361 7.5280 118.6278 57.3882 41.8678 177.4852 106 P 3.8941 0.0000 0.0000 65.6696 31.2111 178.7088 107 M 4.0086 7.7253 117.1536 58.3210 32.0521 178.6097 108 I 3.5492 8.4110 121.0408 64.4634 37.0476 178.0114 109 D 4.4800 8.5033 119.4893 57.0988 40.7072 178.3706 110 R 4.4925 7.7596 113.6104 55.7106 30.0662 177.7238 111 G 4.0628 8.2151 107.4866 46.5431 0.0000 174.3544 112 D 4.9200 7.7929 121.5574 54.0546 36.8466 177.2308 113 I 3.8979 7.3232 122.6176 64.0839 37.6318 178.6933 114 R 3.9008 7.8478 118.8065 59.3081 30.0856 178.4805 115 Q 3.9395 8.0974 118.6411 59.0310 28.8221 178.2303 116 A 3.8826 8.3558 122.0718 55.2312 18.6190 179.5089 117 I 3.9656 8.5457 119.1585 64.9292 36.9946 178.2366 118 D 4.4248 8.6716 117.8759 57.0682 41.0882 177.8932 119 R 4.1128 7.9850 118.8646 58.7432 30.3309 177.1687 120 C 4.6962 9.0116 115.8860 59.5018 28.4316 175.4967 121 S 4.3009 7.9604 118.0593 61.3403 62.5823 175.9425 122 N 4.8015 8.0992 115.8761 54.1374 37.8011 175.9950 123 I 3.4640 7.9514 120.5466 62.6668 37.5994 176.2698 124 W 4.7035 7.8761 119.1627 54.4294 31.6961 176.4606 125 A 4.4953 8.7842 126.2169 55.2259 18.2424 178.4675 126 S 4.7101 8.3695 108.1480 58.9018 63.6860 173.7564 127 L 4.8285 7.7811 122.5671 52.5220 42.8843 174.2530 128 P 4.6460 0.0000 0.0000 64.2715 31.6281 176.7214 129 G 3.9097 9.4760 111.7407 45.0944 0.0000 174.2384 130 A 4.3012 6.9240 121.6318 54.7000 18.2324 179.5895 131 G 3.6664 8.9966 101.5773 46.9050 0.0000 173.3752 132 Y 4.4656 8.1098 114.6216 56.8338 37.9686 177.4848 133 G 3.9578 8.1835 106.2518 46.2187 0.0000 174.3128 134 Q 4.2600 7.8495 118.4272 54.7322 29.5477 175.5356 135 F 4.1365 8.7084 121.0267 58.6912 39.0925 173.5332 136 E 4.5187 8.0666 128.6668 54.9575 30.1301 176.2519 137 H 4.0786 8.4629 123.0193 55.4147 29.6044 175.8839 138 K 4.1486 8.2820 120.9501 56.7172 33.4444 177.9071 139 A 4.0188 8.8698 124.1174 55.6148 18.2448 179.8422 140 D 4.3525 8.1277 117.0789 57.5943 41.1277 178.8058 141 S 4.2875 7.9891 113.7939 60.2309 63.2120 176.4100 142 L 4.0422 7.6853 122.9491 57.6893 41.7967 178.5177 143 I 3.6652 7.7384 119.5107 64.5239 37.0738 177.9159 144 A 3.8783 7.8616 121.1911 55.3075 17.9809 179.5876 145 K 3.6352 7.2212 115.9944 59.2195 32.4092 178.3398 146 F 4.1639 8.5837 121.2340 61.5068 39.4150 177.1166 147 K 4.2506 8.9294 119.7380 58.5812 31.6800 178.2184 148 E 4.1991 7.7560 114.4582 57.0295 30.0367 177.4913 149 A 4.2547 7.6702 121.6138 52.0187 19.3263 177.7986 150 G 3.8423 7.4708 104.3762 44.9859 0.0000 174.8523 151 G 2.6601 7.1550 108.6218 45.2987 0.0000 172.4958 152 T 4.7503 8.8726 116.0095 61.5305 71.4601 174.1911 153 V 4.7728 8.1056 123.4558 60.7549 34.4604 175.4333 154 R 4.1700 8.5177 119.6513 56.9262 30.8666 175.6922 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 1 M 8.30 4.49 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 2 V 8.30 3.56 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 0.73 0.00 0.00 1.03 0.00 0.00 3 E 9.42 4.10 0.00 1.96 1.84 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 2.30 2.40 0.00 4 I 8.30 4.25 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.94 0.00 0.00 5 N 8.29 5.10 0.00 2.92 2.95 0.00 0.00 5.88 6.96 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 6 N 8.56 4.39 0.00 2.84 2.83 0.00 0.00 6.92 7.58 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 7 Q 8.14 4.09 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 8 R 8.98 4.12 0.00 2.03 2.00 0.00 3.28 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 9 K 8.20 3.97 0.00 2.04 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 10 A 8.28 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 9.00 4.34 0.00 3.38 3.10 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 12 L 8.24 3.71 0.00 2.04 1.83 0.98 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.12 4.42 0.00 2.67 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 14 M 8.58 4.04 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.51 0.00 15 L 7.93 3.73 0.00 1.64 0.91 -0.56 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.50 4.15 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 17 W 8.30 4.16 0.00 3.54 3.29 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 18 S 8.53 3.40 0.00 4.06 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 19 E 8.57 4.07 0.00 2.05 2.03 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 2.43 2.52 0.00 20 G 7.99 3.66 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 21 T 8.72 4.38 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 1.29 0.00 0.00 22 D 7.71 4.99 0.00 2.54 2.52 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 23 N 7.90 5.25 0.00 2.77 2.66 0.00 0.00 6.41 7.00 0.00 0.00 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 8.56 4.33 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 0.00 25 R 7.75 3.92 0.00 1.77 2.03 0.00 3.32 0.00 0.00 3.14 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 26 Q 8.66 3.81 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 27 K 8.45 4.32 0.00 1.71 1.66 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.45 7.81 28 T 7.79 4.39 4.17 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 1.18 0.00 0.00 29 R 9.67 4.25 0.00 1.93 1.96 0.00 3.15 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 30 N 7.86 4.90 0.00 2.72 2.63 0.00 0.00 6.85 7.89 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 31 H 9.10 4.69 0.00 3.17 3.52 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.57 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 33 Y 7.38 4.41 0.00 3.18 3.13 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 34 D 7.73 3.37 0.00 2.28 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 35 V 7.50 3.93 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 0.93 0.00 0.00 0.89 0.00 0.00 36 I 8.44 4.87 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.08 0.93 0.00 0.00 37 V 7.58 4.39 2.31 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 1.09 0.00 0.00 0.95 0.00 0.00 38 G 8.35 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 39 G 7.70 4.52 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 40 E 8.15 4.32 0.00 1.92 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 2.40 2.29 0.00 41 L 8.38 5.47 0.00 1.44 1.52 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.53 5.20 0.00 2.79 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 43 T 8.78 4.33 4.28 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 1.20 0.00 0.00 44 D 8.13 4.85 0.00 2.68 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 45 Y 8.65 4.85 0.00 3.10 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 46 S 8.30 4.34 0.00 4.10 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 0.00 47 D 7.59 4.84 0.00 2.69 2.53 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 48 H 7.85 2.58 0.00 1.44 2.57 0.00 5.73 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 3.50 0.00 1.88 1.04 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.00 50 R 6.98 3.53 0.00 1.80 1.91 0.00 3.07 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 51 K 7.78 4.21 0.00 1.62 1.65 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.44 7.81 52 L 8.35 4.39 0.00 1.65 1.58 0.91 0.97 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 53 V 8.62 4.18 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 0.91 0.00 0.00 0.98 0.00 0.00 54 T 8.47 4.41 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 1.21 0.00 0.00 55 L 8.61 4.17 0.00 1.70 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.57 5.15 0.00 2.89 2.88 0.00 0.00 6.07 7.76 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 57 P 0.00 4.28 0.00 2.06 2.19 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 58 K 7.48 4.44 0.00 1.70 1.80 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.41 7.81 59 L 8.20 4.66 0.00 1.68 1.66 0.95 0.23 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 60 K 8.22 5.16 0.00 1.72 1.64 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.40 7.81 61 S 8.77 4.64 0.00 3.82 3.66 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 62 T 8.47 4.40 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 1.18 0.00 0.00 63 G 7.63 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 64 A 8.82 4.97 1.08 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 65 G 9.19 4.71 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 0.00 0.00 0.00 66 R 9.03 3.45 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.89 0.00 67 Y 6.96 4.41 0.00 3.44 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 68 Q 8.06 3.49 0.00 2.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 69 L 8.52 4.75 0.00 2.19 2.00 1.37 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.83 4.53 0.00 2.03 1.64 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.28 4.00 0.00 3.90 3.62 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 72 R 7.84 3.55 0.00 1.45 1.20 0.00 2.67 0.00 0.00 2.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 73 W 7.50 4.40 0.00 3.71 3.57 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 74 W 8.21 4.67 0.00 3.59 3.21 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 75 D 8.44 3.92 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.76 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 0.00 0.00 0.00 0.00 0.00 77 Y 8.46 4.11 0.00 3.24 3.10 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 78 R 7.97 3.73 0.00 1.48 0.66 0.00 2.55 0.00 0.00 2.71 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.24 0.00 79 K 7.69 3.75 0.00 1.78 1.89 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.37 7.81 80 Q 7.97 3.97 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 81 L 8.31 4.66 0.00 1.70 1.73 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.90 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 83 L 8.15 4.20 0.00 1.58 1.89 1.17 1.00 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 84 K 8.52 4.08 0.00 1.84 1.88 0.00 1.80 0.00 0.00 1.99 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.43 7.81 85 D 7.75 5.85 0.00 3.13 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 86 F 8.74 4.78 0.00 2.41 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 87 S 8.30 4.31 0.00 3.96 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 88 P 0.00 3.19 0.00 1.46 0.49 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.00 89 K 7.77 3.81 0.00 1.76 1.80 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.57 7.81 90 S 8.07 4.43 0.00 4.33 4.60 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 91 Q 8.19 4.26 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 92 D 8.74 4.51 0.00 2.91 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 93 A 8.16 4.05 1.56 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 0.00 0.00 94 V 8.02 3.29 2.44 0.00 0.00 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 1.54 0.00 0.00 95 A 7.91 4.25 1.03 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 0.00 0.00 96 L 8.23 3.95 0.00 1.80 1.72 0.95 0.87 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 97 Q 7.77 3.91 0.00 2.22 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.69 2.87 0.00 98 Q 7.78 3.88 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 1.83 2.28 0.00 99 I 7.88 3.73 2.04 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 1.68 1.55 0.70 0.00 0.00 100 K 8.54 3.91 0.00 1.83 1.97 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 101 E 8.16 4.04 0.00 2.18 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 0.00 2.41 2.67 0.00 102 R 8.08 4.21 0.00 1.89 2.08 0.00 3.43 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 103 G 7.78 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 0.00 0.00 0.00 0.00 104 A 7.57 4.45 1.16 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 0.00 105 L 7.53 3.94 0.00 1.65 1.68 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 3.89 0.00 2.12 2.08 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 107 M 7.73 4.01 0.00 2.15 2.14 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 2.77 2.58 0.00 108 I 8.41 3.55 1.80 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.55 0.95 0.00 0.00 109 D 8.50 4.48 0.00 2.83 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 0.00 110 R 7.76 4.49 0.00 1.96 2.00 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 111 G 8.22 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 0.00 112 D 7.79 4.92 0.00 2.68 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 0.00 113 I 7.32 3.90 1.65 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.40 0.39 0.00 0.00 114 R 7.85 3.90 0.00 1.85 1.97 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 115 Q 8.10 3.94 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 116 A 8.36 3.88 1.07 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 0.00 117 I 8.55 3.97 2.12 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 1.35 1.23 0.98 0.00 0.00 118 D 8.67 4.42 0.00 2.70 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 0.00 119 R 7.98 4.11 0.00 2.11 2.07 0.00 3.34 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 120 C 9.01 4.70 0.00 3.41 3.62 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 0.00 121 S 7.96 4.30 0.00 4.20 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 0.00 122 N 8.10 4.80 0.00 2.90 2.99 0.00 0.00 6.03 7.81 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 0.00 123 I 7.95 3.46 1.14 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.52 -1.27 0.00 0.00 124 W 7.88 4.70 0.00 3.54 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 0.00 125 A 8.78 4.50 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 0.00 126 S 8.37 4.71 0.00 4.20 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 0.00 127 L 7.78 4.83 0.00 1.97 1.73 1.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.65 0.00 2.18 2.25 0.00 3.81 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 2.02 2.06 0.00 129 G 9.48 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 0.00 0.00 0.00 130 A 6.92 4.30 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 0.00 131 G 9.00 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 0.00 0.00 0.00 132 Y 8.11 4.47 0.00 3.17 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 0.00 133 G 8.18 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 0.00 134 Q 7.85 4.26 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 135 F 8.71 4.14 0.00 3.08 2.93 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 0.00 136 E 8.07 4.52 0.00 1.73 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 137 H 8.46 4.08 0.00 3.22 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.28 4.15 0.00 1.73 1.95 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.57 7.81 139 A 8.87 4.02 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 0.00 140 D 8.13 4.35 0.00 2.72 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 0.00 141 S 7.99 4.29 0.00 4.11 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 0.00 142 L 7.69 4.04 0.00 1.92 1.74 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.74 3.67 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.83 0.94 0.00 0.00 144 A 7.86 3.88 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 0.00 145 K 7.22 3.64 0.00 0.86 1.43 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.94 7.81 146 F 8.58 4.16 0.00 3.02 3.18 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 0.00 147 K 8.93 4.25 0.00 1.95 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.59 7.81 148 E 7.76 4.20 0.00 2.02 1.93 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 2.24 2.16 0.00 149 A 7.67 4.25 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 0.00 150 G 7.47 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 0.00 151 G 7.15 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 0.00 0.00 0.00 152 T 8.87 4.75 4.43 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 1.27 0.00 0.00 153 V 8.11 4.77 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 1.17 0.00 0.00 1.12 0.00 0.00 154 R 8.52 4.17 0.00 1.99 1.88 0.00 3.33 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00