NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5087 8.1633 120.6166 55.1504 33.3221 173.8009 2 K 4.3055 8.1410 123.4164 55.8785 33.8463 170.7014 3 V 4.9193 9.2553 116.4364 60.2577 37.2031 173.1606 4 I 4.6940 8.5183 124.9023 60.5187 38.8364 176.2009 5 L 4.9643 7.8685 127.1302 55.2654 44.3610 174.9799 6 L 4.2799 8.4354 128.0085 55.3312 49.8100 177.8691 7 E 3.8512 9.6529 133.8632 56.7110 29.1997 174.7879 8 P 4.4676 0.0000 0.0000 63.2369 31.8637 175.9608 9 L 4.7236 7.7560 117.6328 53.8126 45.3179 175.2038 10 E 4.3172 8.6789 119.2588 56.8969 30.6192 177.2579 11 N 4.1630 8.9895 121.4979 53.7876 38.0056 173.8840 12 L 4.2249 7.8221 114.2396 56.5414 42.1161 173.5188 13 G 4.0616 8.4309 113.8080 45.8961 0.0000 166.7611 14 D 4.3284 8.5239 128.3170 53.7535 38.9261 173.9317 15 V 3.5454 8.2592 117.7608 60.9106 32.6482 176.3236 16 G 3.9586 8.5945 106.4687 46.3660 0.0000 172.4987 17 Q 4.3862 7.8486 121.0511 54.8356 30.4267 174.9868 18 V 4.4658 8.3718 126.7592 62.6364 33.0446 175.5970 19 V 4.5661 8.5535 126.0975 60.7039 34.9039 172.4361 20 D 5.1288 8.7768 125.0731 52.7963 40.8817 175.7486 21 V 4.6819 8.4200 114.0569 59.4637 36.4712 174.9374 22 K 4.2676 8.6408 120.2478 55.7122 32.9145 176.2809 23 P 4.3440 0.0000 0.0000 65.8829 31.1673 178.5931 24 G 3.8751 8.2672 103.7081 48.1930 0.0000 174.6267 25 Y 4.4500 8.0296 121.8075 60.3220 38.7847 177.9241 26 A 3.8213 8.0483 120.9850 55.1888 18.3992 179.2553 27 R 3.8446 8.4996 116.0328 59.2475 30.3040 177.6120 28 N 4.9315 8.2085 112.4295 53.7714 39.3320 174.2637 29 Y 4.5928 7.7061 120.1010 58.4737 41.3311 176.5962 30 L 3.6343 7.7621 118.5037 58.1665 42.9878 179.7450 31 L 3.9327 8.6008 117.9362 57.6254 41.9977 178.4314 32 P 4.2084 0.0000 0.0000 65.3754 31.3498 177.2737 33 R 4.1929 7.8835 115.0416 55.1840 29.7795 176.3241 34 G 3.9404 7.4276 105.1150 46.8728 0.0000 174.4415 35 L 4.5234 7.4625 116.5337 53.5911 42.4860 176.0473 36 A 4.4099 7.1715 119.6932 52.0773 22.0036 175.2180 37 V 4.4885 8.0885 117.6157 61.2073 35.8482 174.0870 38 L 4.3424 8.4081 123.7437 54.1095 41.8689 178.6187 39 A 4.4923 8.1306 127.9186 51.3938 15.5910 176.7274 40 T 4.4235 7.5435 112.4751 59.4068 71.4664 176.7345 41 E 3.7868 8.8810 124.5310 60.4706 29.3397 178.9935 42 S 4.0334 8.3050 111.8195 62.1370 62.2200 175.8573 43 N 4.2879 8.4660 117.6085 56.1783 38.4935 176.9481 44 L 3.9061 8.7962 123.2584 58.5053 42.2190 179.4516 45 K 4.0475 8.6830 118.2881 59.6407 32.3829 178.6017 46 A 4.1403 7.5258 120.6765 53.9472 18.4418 178.9959 47 L 4.0218 7.8082 119.7521 58.0785 42.3614 178.2829 48 E 3.8631 8.0768 118.8956 59.1979 29.0900 178.9758 49 A 3.9698 7.8437 120.4131 55.0197 18.3143 178.7461 50 R 4.2004 7.8006 113.6395 57.0213 30.1623 177.3772 51 I 4.1612 7.1046 119.1114 63.9747 37.6689 177.3118 52 R 4.3063 7.7036 114.9414 56.5201 29.8542 176.7262 53 A 4.6862 7.9164 119.1139 51.8337 19.5076 176.7758 54 Q 4.4472 7.9759 116.3622 55.7034 31.2873 177.0107 55 A 4.1156 8.0126 120.0202 54.4988 19.6346 178.9198 56 K 4.2539 7.8036 114.2272 56.8960 32.2359 177.3957 57 R 4.4446 8.0474 118.0586 55.8994 31.2425 176.1446 58 L 4.2801 7.5079 117.3974 55.4140 42.4688 176.7026 59 A 4.8507 7.8658 119.8291 52.5590 19.1111 177.1074 60 E 4.6018 8.0403 118.6395 57.0168 31.3309 176.2094 61 R 4.5532 7.4272 112.1813 56.1193 30.6480 176.6541 62 K 4.5186 7.6749 117.2013 56.4301 33.4869 176.2025 63 A 4.6105 8.0667 120.3417 51.7368 21.2809 177.5932 64 E 4.2008 8.1265 115.6477 58.2306 30.3238 177.3789 65 A 4.1859 7.9144 118.5286 53.6059 18.7307 177.2790 66 E 4.4205 7.9554 114.9179 56.8818 30.7837 178.5020 67 R 4.0703 8.2976 119.5517 58.9475 29.8431 178.2109 68 L 4.0846 8.0247 119.2210 57.3805 41.6624 178.8581 69 K 4.0459 7.3287 117.6052 59.1398 33.7140 177.5961 70 E 4.4109 7.5724 119.9364 53.1663 28.0638 174.5478 71 I 4.1593 6.9402 129.4955 61.4909 41.3670 176.1653 72 L 4.8475 7.7655 118.1369 55.3751 40.6488 176.9209 73 E 4.9441 8.6674 118.1108 57.3985 31.2334 176.3415 74 N 4.5069 7.7602 115.9210 55.0586 38.7834 175.9968 75 L 4.3513 7.4125 120.7624 53.3956 40.3746 177.4162 76 T 4.1030 7.2159 113.2356 61.5503 68.4094 172.1115 77 L 4.1714 8.3493 122.2189 55.5835 42.5954 178.1729 78 T 4.4328 8.1026 121.9883 61.5613 69.1115 171.1901 79 I 4.2277 7.7950 125.2009 59.1514 38.3672 174.3380 80 P 4.7065 0.0000 0.0000 61.3569 29.8397 175.5097 81 V 4.0544 7.3490 124.7384 61.3536 34.0988 175.9806 82 R 4.5261 8.4004 117.4139 54.0835 33.2241 174.4654 83 A 2.5978 8.0326 125.7203 53.4339 22.5093 176.4293 84 G 4.2735 8.3880 97.5572 44.8990 0.0000 172.5535 85 E 4.9932 7.5014 131.0082 57.2185 31.4706 177.2962 86 T 4.4370 7.1026 107.2422 61.8442 69.2397 172.6215 87 K 4.5475 8.3614 115.7593 55.7181 33.5122 173.6270 88 I 3.8212 7.9393 127.2730 60.4694 38.8879 175.6798 89 Y 4.6928 9.4363 120.0547 56.0856 37.3207 177.0177 90 G 4.7126 9.2014 119.8795 45.3489 0.0000 173.5917 91 S 3.4236 7.7983 114.1146 59.8203 64.1500 171.1424 92 V 4.6149 7.8672 115.8833 61.7010 33.6125 172.6554 93 T 4.8457 8.1000 111.0333 60.4595 71.4515 174.0196 94 A 3.7606 8.5990 123.6422 54.8241 18.3788 179.9171 95 K 3.8063 8.2127 115.0516 58.7936 31.8709 177.0802 96 D 4.8999 8.5033 119.4175 54.3828 41.7844 178.1946 97 I 3.6514 7.5641 119.0860 65.1025 37.1964 177.9693 98 A 3.9895 7.9537 119.2537 55.5825 18.7058 178.9623 99 E 3.1095 9.3427 112.1907 58.8519 29.9334 178.9636 100 A 4.0435 8.1383 120.2802 55.9035 17.5268 179.6565 101 L 3.6980 7.4628 117.4432 58.4737 42.1433 179.1073 102 S 4.9252 8.0313 116.5079 61.2765 62.6828 176.9408 103 R 3.7612 8.7870 120.4782 60.0916 29.6258 180.8467 104 Q 3.1823 6.7199 117.0799 57.5054 30.4963 178.2395 105 H 4.6598 7.8893 108.3643 55.3972 29.5775 172.9963 106 G 3.4672 8.1741 108.5250 46.7252 0.0000 172.6571 107 V 4.2195 8.4959 120.4353 61.3602 32.8342 174.9949 108 T 4.4500 8.2755 124.3290 63.6645 69.0760 174.4007 109 I 4.5709 7.7283 123.9798 60.7738 41.0986 173.4844 110 D 4.9103 8.2068 119.1826 52.4080 44.4487 174.3438 111 P 4.4753 0.0000 0.0000 64.9087 31.6679 177.1759 112 K 4.5667 7.8060 114.0944 56.0908 35.4173 176.7524 113 R 4.4833 7.6579 120.9545 53.7029 27.9356 173.5390 114 L 4.7422 6.5804 120.5917 53.6437 49.8100 174.8214 115 A 4.4415 7.8269 124.5782 51.9458 22.1948 176.4291 116 L 4.1421 8.1900 118.6795 56.0923 43.7534 174.3642 117 E 4.6224 8.2133 122.3786 56.5350 29.4878 179.5763 118 K 4.1769 8.8741 129.4032 55.7799 32.9745 173.8773 119 P 5.3149 0.0000 0.0000 61.7206 31.8016 179.0412 120 I 2.5474 8.7546 122.5419 59.6801 38.2412 175.5507 121 K 3.8525 9.5850 123.7355 57.7800 29.5387 175.8300 122 E 4.9772 7.9982 113.1341 55.6425 32.1612 175.3424 123 L 4.0331 8.9003 128.7996 55.0492 42.9271 177.8219 124 G 3.3854 7.2206 109.3463 44.9436 0.0000 171.1211 125 E 4.5365 7.9748 121.7071 54.8047 31.3864 174.5776 126 Y 5.2295 8.1583 120.7818 56.2022 41.2485 175.4106 127 V 4.6046 8.1803 120.5927 61.5594 34.6783 174.1880 128 L 4.8850 8.1852 126.5036 53.3851 45.1651 176.7233 129 T 4.4109 8.6097 119.7871 63.1944 69.9093 173.4374 130 Y 5.0314 8.3207 124.3027 57.2300 40.0978 174.4155 131 K 5.0089 8.6031 120.9695 55.3476 35.8510 173.7843 132 P 4.7067 0.0000 0.0000 64.4116 32.8161 175.7660 133 H 3.9390 7.7366 108.7926 56.6402 26.1912 172.0633 134 P 4.7011 0.0000 0.0000 63.2797 31.8417 175.7539 135 E 3.2641 7.6245 113.6623 58.1589 31.2580 173.6835 136 V 4.7834 7.7010 118.0919 59.2294 34.7742 173.4595 137 P 4.9007 0.0000 0.0000 63.2184 33.0612 174.9998 138 I 4.4961 8.0011 118.5753 61.0767 41.4072 174.3676 139 Q 4.7982 7.9204 126.3334 55.3332 30.1825 174.5880 140 L 4.5486 8.1006 120.2978 54.9841 44.9429 176.4753 141 K 4.8083 8.1537 123.4568 53.6664 32.6235 176.5657 142 V 3.8726 7.6640 123.5041 61.2831 29.6135 174.9886 143 S 4.3573 7.2785 119.6050 58.9652 63.7797 174.6151 144 V 4.3680 7.9963 118.0386 61.7885 34.6832 175.4339 145 V 4.0243 7.9345 117.7437 61.4184 31.3578 175.7434 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 8.16 4.51 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 K 8.14 4.31 0.00 1.81 1.72 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 9.26 4.92 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 0.79 0.00 0.00 1.02 0.00 0.00 4 I 8.52 4.69 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.90 0.00 0.00 5 L 7.87 4.96 0.00 1.49 1.64 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.44 4.28 0.00 1.54 0.70 0.96 0.82 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 7 E 9.65 3.85 0.00 1.92 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 2.31 2.38 0.00 8 P 0.00 4.47 0.00 2.18 2.16 0.00 3.71 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 2.00 2.01 0.00 9 L 7.76 4.72 0.00 1.81 1.68 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.68 4.32 0.00 1.98 1.82 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 2.34 2.23 0.00 11 N 8.99 4.16 0.00 2.87 2.90 0.00 0.00 6.90 7.78 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 12 L 7.82 4.22 0.00 1.89 1.79 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.43 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 14 D 8.52 4.33 0.00 3.03 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 15 V 8.26 3.55 2.07 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 0.89 0.00 0.00 0.93 0.00 0.00 16 G 8.59 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 17 Q 7.85 4.39 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 18 V 8.37 4.47 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 0.86 0.00 0.00 0.93 0.00 0.00 19 V 8.55 4.57 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 0.60 0.00 0.00 0.96 0.00 0.00 20 D 8.78 5.13 0.00 2.83 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 21 V 8.42 4.68 2.29 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 0.84 0.00 0.00 1.04 0.00 0.00 22 K 8.64 4.27 0.00 1.87 1.76 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 23 P 0.00 4.34 0.00 2.17 2.16 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 24 G 8.27 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 25 Y 8.03 4.45 0.00 2.97 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 26 A 8.05 3.82 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 27 R 8.50 3.84 0.00 2.03 1.99 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 28 N 8.21 4.93 0.00 2.97 2.90 0.00 0.00 6.78 8.24 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 29 Y 7.71 4.59 0.00 3.05 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 30 L 7.76 3.63 0.00 1.74 1.48 0.64 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.60 3.93 0.00 1.86 1.69 0.91 1.37 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 32 P 0.00 4.21 0.00 1.98 2.08 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 33 R 7.88 4.19 0.00 1.49 1.67 0.00 2.21 0.00 0.00 2.65 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 34 G 7.43 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 35 L 7.46 4.52 0.00 1.40 1.61 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.17 4.41 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 37 V 8.09 4.49 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 0.92 0.00 0.00 0.90 0.00 0.00 38 L 8.41 4.34 0.00 1.56 1.59 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.13 4.49 1.28 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 0.00 0.00 40 T 7.54 4.42 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 1.22 0.00 0.00 41 E 8.88 3.79 0.00 2.03 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 2.41 2.42 0.00 42 S 8.30 4.03 0.00 3.88 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 43 N 8.47 4.29 0.00 2.80 2.84 0.00 0.00 6.77 6.33 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 44 L 8.80 3.91 0.00 1.70 1.79 0.92 0.36 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 45 K 8.68 4.05 0.00 1.97 2.05 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.83 1.45 7.81 46 A 7.53 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.81 4.02 0.00 1.78 1.97 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.08 3.86 0.00 2.02 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 2.31 2.35 0.00 49 A 7.84 3.97 1.41 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 0.00 0.00 50 R 7.80 4.20 0.00 1.81 2.03 0.00 3.24 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 51 I 7.10 4.16 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.89 0.91 0.00 0.00 52 R 7.70 4.31 0.00 1.82 1.95 0.00 3.11 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 53 A 7.92 4.69 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 54 Q 7.98 4.45 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 55 A 8.01 4.12 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 56 K 7.80 4.25 0.00 1.73 1.98 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 57 R 8.05 4.44 0.00 1.91 1.71 0.00 3.43 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 58 L 7.51 4.28 0.00 1.88 1.77 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.87 4.85 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 60 E 8.04 4.60 0.00 1.87 2.07 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 2.17 2.30 0.00 61 R 7.43 4.55 0.00 1.89 1.92 0.00 3.36 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 62 K 7.67 4.52 0.00 1.87 1.84 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.33 1.48 7.81 63 A 8.07 4.61 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 64 E 8.13 4.20 0.00 2.05 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 2.33 2.36 0.00 65 A 7.91 4.19 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 66 E 7.96 4.42 0.00 2.20 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 2.35 2.26 0.00 67 R 8.30 4.07 0.00 1.98 1.97 0.00 3.47 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 68 L 8.02 4.08 0.00 1.78 1.96 1.20 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.33 4.05 0.00 1.88 1.98 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.74 7.81 70 E 7.57 4.41 0.00 2.02 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 2.31 2.28 0.00 71 I 6.94 4.16 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.23 0.92 0.00 0.00 72 L 7.77 4.85 0.00 1.72 1.70 0.97 0.85 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 73 E 8.67 4.94 0.00 2.20 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 0.00 2.35 2.22 0.00 74 N 7.76 4.51 0.00 2.85 2.93 0.00 0.00 6.05 7.79 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 75 L 7.41 4.35 0.00 1.81 1.69 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.22 4.10 4.42 0.00 0.00 0.00 0.00 0.00 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 77 L 8.35 4.17 0.00 1.62 1.54 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.10 4.43 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 1.19 0.00 0.00 79 I 7.79 4.23 1.96 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 1.45 1.16 0.94 0.00 0.00 80 P 0.00 4.71 0.00 2.15 2.06 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 81 V 7.35 4.05 2.07 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 0.75 0.00 0.00 0.94 0.00 0.00 82 R 8.40 4.53 0.00 1.87 1.86 0.00 3.24 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 83 A 8.03 2.60 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 84 G 8.39 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 85 E 7.50 4.99 0.00 2.11 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 0.00 2.10 2.08 0.00 86 T 7.10 4.44 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 1.24 0.00 0.00 87 K 8.36 4.55 0.00 1.74 1.70 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.19 1.49 7.81 88 I 7.94 3.82 2.01 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 1.46 0.71 1.06 0.00 0.00 89 Y 9.44 4.69 0.00 3.07 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 90 G 9.20 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 91 S 7.80 3.42 0.00 4.09 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 92 V 7.87 4.61 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 0.73 0.00 0.00 0.95 0.00 0.00 93 T 8.10 4.85 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 1.22 0.00 0.00 94 A 8.60 3.76 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 95 K 8.21 3.81 0.00 1.75 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.42 7.81 96 D 8.50 4.90 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.56 3.65 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 1.58 1.29 0.89 0.00 0.00 98 A 7.95 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 99 E 9.34 3.11 0.00 1.99 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 2.31 2.53 0.00 100 A 8.14 4.04 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 0.00 101 L 7.46 3.70 0.00 2.02 1.91 0.90 0.88 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 0.00 102 S 8.03 4.93 0.00 3.96 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 0.00 103 R 8.79 3.76 0.00 1.93 1.95 0.00 3.43 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 104 Q 6.72 3.18 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.58 0.00 0.00 0.00 0.00 0.00 1.95 2.21 0.00 105 H 7.89 4.66 0.00 3.18 3.31 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.17 3.47 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 0.00 107 V 8.50 4.22 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 0.98 0.00 0.00 1.01 0.00 0.00 108 T 8.28 4.45 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 1.24 0.00 0.00 109 I 7.73 4.57 1.84 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 1.34 0.19 0.80 0.00 0.00 110 D 8.21 4.91 0.00 2.74 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 0.00 111 P 0.00 4.48 0.00 2.18 2.18 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 112 K 7.81 4.57 0.00 1.72 1.81 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 113 R 7.66 4.48 0.00 1.81 2.35 0.00 3.31 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 114 L 6.58 4.74 0.00 1.67 1.49 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.83 4.44 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 0.00 116 L 8.19 4.14 0.00 1.60 1.62 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.21 4.62 0.00 1.91 1.12 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 2.18 2.37 0.00 118 K 8.87 4.18 0.00 1.69 1.68 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 119 P 0.00 5.31 0.00 2.23 2.09 0.00 3.42 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 120 I 8.75 2.55 1.97 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 1.62 0.75 1.20 0.00 0.00 121 K 9.58 3.85 0.00 2.11 1.99 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.48 7.81 122 E 8.00 4.98 0.00 1.96 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 2.35 2.11 0.00 123 L 8.90 4.03 0.00 1.66 1.55 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.22 3.39 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 0.00 125 E 7.97 4.54 0.00 1.86 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 2.17 2.16 0.00 126 Y 8.16 5.23 0.00 2.95 2.72 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 0.00 127 V 8.18 4.60 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 0.86 0.00 0.00 0.97 0.00 0.00 128 L 8.19 4.89 0.00 1.62 1.52 0.91 0.89 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 0.00 129 T 8.61 4.41 4.29 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 1.31 0.00 0.00 130 Y 8.32 5.03 0.00 2.89 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 0.00 131 K 8.60 5.01 0.00 1.71 1.86 0.00 1.20 0.00 0.00 1.25 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.28 7.81 132 P 0.00 4.71 0.00 2.24 2.13 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 133 H 7.74 3.94 0.00 3.35 3.68 0.00 5.48 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.70 0.00 2.16 2.13 0.00 3.98 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 135 E 7.62 3.26 0.00 2.37 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 0.00 2.21 2.23 0.00 136 V 7.70 4.78 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 1.01 0.00 0.00 1.09 0.00 0.00 137 P 0.00 4.90 0.00 2.16 2.24 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 138 I 8.00 4.50 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.87 0.00 0.00 139 Q 7.92 4.80 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 140 L 8.10 4.55 0.00 1.58 1.76 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.15 4.81 0.00 1.78 1.68 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.29 7.81 142 V 7.66 3.87 2.25 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 0.72 0.00 0.00 0.88 0.00 0.00 143 S 7.28 4.36 0.00 3.86 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 0.00 144 V 8.00 4.37 2.00 0.00 0.00 0.00 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 0.84 0.00 0.00 145 V 7.93 4.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.80 0.00 0.00