NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1474 8.1076 123.5054 52.6113 20.0044 179.5211 5 V 2.9424 6.8656 119.8255 60.0876 33.7308 174.2404 6 L 4.6045 8.1276 130.0693 52.9430 44.5692 176.0632 7 Y 4.6029 8.7856 125.5789 56.4074 40.7423 174.4587 8 K 4.9680 8.3022 120.4773 54.7748 35.3115 176.1598 9 S 4.6715 9.2081 121.9543 57.8063 63.1451 173.8743 10 N 4.6469 8.7002 119.1001 55.6469 39.4807 175.7678 11 H 5.1824 7.3733 111.3068 56.1930 28.0906 175.4816 12 N 5.2712 9.0977 122.3890 53.8824 39.3008 173.8219 13 V 4.3860 8.0820 118.5659 61.6155 33.5075 174.3906 14 V 4.7911 8.6168 128.8563 61.9282 32.3714 174.2648 15 Y 4.9659 8.5854 125.6053 56.2037 42.1961 174.5337 16 S 4.8664 8.7572 114.9810 58.0242 64.4242 173.0692 17 C 4.6920 9.2082 124.9775 57.8783 30.5105 172.9423 18 K 5.0876 8.2185 123.2920 54.8104 34.4391 175.2452 19 Y 5.2383 9.6072 121.6662 56.6221 42.5498 173.9440 20 H 5.2723 9.3624 120.7223 54.8291 30.9897 174.3324 21 I 5.3109 9.2883 123.6439 59.6480 41.1066 174.6783 22 V 5.0806 9.3214 125.6790 60.2189 35.2178 173.8232 23 W 5.5354 7.9970 122.6170 55.3125 31.7337 173.1852 24 C 5.3590 8.7131 117.5938 57.2250 31.2884 172.1098 25 P 5.1074 0.0000 0.0000 62.1276 32.7172 175.9422 26 K 3.8653 9.0015 122.9098 58.3760 32.4241 176.5905 27 Y 3.6351 8.7304 120.1300 58.1395 35.5955 169.8401 28 R 3.9633 8.3264 117.6128 56.9840 29.1547 176.1687 29 R 4.0603 8.0057 116.0249 56.0058 30.8037 177.7007 30 K 4.4821 8.4838 126.3220 55.8127 30.2386 176.9119 31 V 4.2385 7.4255 110.8359 61.3006 33.8037 177.4336 32 L 4.3824 7.8640 121.9599 53.2820 39.8408 175.6849 33 V 4.6251 7.1758 114.3182 59.8562 37.5673 176.3203 34 G 3.6796 8.6120 109.5376 46.1565 0.0000 175.1552 35 A 4.0082 8.8288 121.1680 55.5826 18.1113 179.4300 36 V 2.9015 7.3630 115.6562 65.9715 31.3293 177.6481 37 E 3.9083 7.9057 118.3014 59.4895 29.4937 178.6046 38 M 4.0614 7.8879 118.3514 58.7478 32.0375 179.0909 39 R 4.0342 8.2878 118.1401 58.9486 30.1892 178.9583 40 L 4.0804 8.2254 120.5626 58.2767 42.2081 179.2147 41 K 4.0426 8.2931 118.4727 59.4070 31.9744 179.1204 42 E 4.0193 8.4186 118.8525 59.5909 29.4809 179.4211 43 I 3.7712 8.0799 119.8496 64.7157 37.2568 178.6651 44 I 3.9345 8.0861 120.4144 64.3981 36.9717 178.5920 45 Q 4.1125 8.2628 119.1964 58.9643 28.5207 178.5721 46 E 4.0384 8.2872 119.6944 59.4192 29.4790 179.5721 47 V 3.6947 8.1371 118.1528 65.7870 31.4502 177.9839 48 A 3.9849 8.3671 120.7141 55.0950 18.2278 179.5895 49 K 3.7311 7.9935 117.7720 59.5299 32.0439 178.7110 50 E 3.9925 8.2477 118.8785 58.6735 29.5940 177.7660 51 L 4.2530 7.8351 116.4285 53.4682 41.9093 176.5357 52 R 3.7275 7.2059 115.6947 57.0398 28.2414 175.8880 53 V 3.8900 8.2714 118.3480 61.7240 32.7574 174.8762 54 E 4.2514 8.7290 129.3387 55.3001 30.7056 175.3058 55 I 4.3404 8.2586 129.2845 60.4762 36.6932 175.9618 56 I 4.0019 8.6806 129.3839 64.0319 37.5364 176.7914 57 E 4.8402 7.9665 119.1509 55.3747 34.1367 174.0332 58 M 5.3452 8.3290 120.9946 54.7198 35.5125 173.6887 59 Q 4.7096 9.0162 121.4966 55.5995 32.4093 173.3292 60 T 4.5465 8.1256 111.6395 60.2642 71.8370 174.3786 61 D 4.4598 8.4005 116.4234 54.2145 42.8061 172.9092 62 K 4.1261 7.6801 125.3511 56.1418 31.1471 177.0515 63 D 5.4002 7.3914 116.4916 52.8085 40.5067 174.7371 64 H 4.6659 7.5549 111.8044 55.8345 31.2490 172.2949 65 I 4.4809 7.3229 120.0795 59.3426 40.6703 173.5168 66 H 5.1906 9.4469 129.0029 54.4019 32.4938 172.3589 67 I 4.9450 9.0665 126.3889 59.4114 40.9433 174.4681 68 L 5.1627 9.5439 128.7056 53.4853 43.6439 174.7661 69 A 5.2962 9.1743 128.1501 49.9131 22.8875 174.1424 70 D 5.3499 9.0041 119.3023 52.5961 43.7576 174.9078 71 I 4.7312 8.2888 125.9086 58.9039 40.7549 175.1251 72 D 3.6453 8.6541 125.5525 53.6252 41.2753 175.1046 73 P 3.9778 0.0000 0.0000 65.9602 30.9683 177.2510 74 S 4.3600 8.5199 112.9775 59.2943 63.2304 174.6726 75 F 4.4261 8.7915 123.4432 59.1696 39.8067 176.1064 76 G 3.5962 8.3419 109.9321 46.0563 0.0000 173.5221 77 V 3.3249 8.4146 125.1482 66.4482 31.2856 177.8161 78 M 4.0620 7.7975 116.7293 57.6416 31.6041 178.4840 79 K 3.9197 7.9111 119.1985 58.6749 32.0901 179.0140 80 F 4.4863 7.9496 120.7904 61.2225 39.5227 177.3594 81 I 3.1203 7.5167 119.2861 63.7910 36.8705 178.0984 82 K 3.5985 7.9581 120.8763 59.9828 31.9798 178.9723 83 T 3.8464 7.5128 115.6002 66.3299 68.3888 176.5992 84 A 3.8637 7.9155 123.0339 55.1308 18.4050 179.8755 85 K 3.4550 7.7586 117.0296 59.1797 32.0154 179.6838 86 G 3.6641 8.1616 106.3099 47.9514 0.0000 175.6597 87 R 3.9101 8.4175 122.3654 58.9253 30.2308 178.4256 88 S 4.2586 8.0961 114.1130 61.7666 62.7894 176.4556 89 S 3.8814 8.3883 116.5523 60.9837 61.9423 176.1037 90 R 3.8692 7.5637 119.4402 59.5565 30.0956 178.3100 91 I 3.8591 8.1247 119.8257 64.3639 37.1409 178.1176 92 L 4.2511 8.4679 120.0685 58.4028 41.4063 180.0515 93 R 4.1497 7.8955 115.6225 58.4740 29.9955 178.2412 94 Q 4.1415 8.1297 119.4478 58.4281 29.2785 176.9480 95 E 4.1352 7.9321 117.9549 56.3799 29.9273 176.3183 96 F 4.7372 8.2053 117.9214 54.9621 41.8030 175.5487 97 N 4.4506 8.8847 124.4538 56.1601 38.5118 176.8278 98 H 4.5278 8.3609 115.8156 57.8938 28.3391 176.9342 99 L 4.1785 7.3881 121.0418 56.3498 41.7266 178.1173 100 K 4.1827 7.7084 118.6077 58.8181 32.6906 178.0734 101 T 4.1480 8.2700 109.4058 64.0270 69.1584 176.3701 102 K 4.2925 7.5855 117.7236 56.0783 32.8922 176.7197 103 L 4.9887 7.1934 118.2133 51.9356 45.2333 174.9586 104 P 4.3937 0.0000 0.0000 65.5191 31.6242 175.9311 105 T 4.5428 7.2078 106.5615 60.2683 71.8948 173.2221 106 L 3.7677 8.2711 122.6721 56.5425 42.3749 175.9472 107 W 5.1327 7.4237 116.4622 55.1284 31.6910 173.5432 108 T 4.6945 8.3724 108.9300 60.4383 70.8286 173.1545 109 N 4.6854 8.5984 116.7068 52.7721 37.3757 174.3836 110 S 4.7948 7.1354 112.7948 57.2493 64.8558 172.3691 111 C 5.0349 7.8109 115.7999 57.7081 31.8139 172.5476 112 F 4.9626 9.6062 123.5733 56.5679 41.8023 174.1606 113 I 5.2664 7.4382 125.4253 59.5877 40.7075 174.7612 114 S 4.6920 8.8896 121.1520 56.5792 66.3042 173.6505 115 T 4.4427 8.5863 114.1317 61.5430 69.5866 174.1129 116 V 4.4925 8.9479 122.7487 59.9666 34.5309 174.0335 117 G 4.1335 8.4470 108.4030 43.7273 0.0000 173.2655 118 G 3.9782 7.8520 111.1873 43.2379 0.0000 173.1813 119 A 4.1183 8.3404 121.9132 51.7668 19.0029 176.2637 120 P 4.3144 0.0000 0.0000 64.4557 32.7741 181.5347 121 L 3.3269 8.2326 115.2169 55.6135 42.2824 175.8040 122 N 4.3599 8.7427 123.4113 57.1343 39.8586 175.6610 123 V 3.6991 8.3175 120.3765 65.8483 31.5875 178.2346 124 V 3.7577 7.7740 117.7946 65.6595 31.4357 177.7960 125 K 4.0094 7.9512 119.6795 59.6326 31.9327 178.9176 126 Q 3.9762 8.2555 118.4651 58.7199 28.3711 177.9074 127 Y 4.0004 7.6276 121.1555 60.1476 39.1882 178.0101 128 I 3.6242 7.8664 120.5197 64.4397 37.0714 177.9602 129 E 3.8771 7.9745 118.6015 58.9592 29.3585 177.6443 130 N 4.6243 7.1722 113.4009 52.1670 39.2062 175.1835 131 Q 4.1660 7.2014 120.4379 55.2718 29.7048 176.1735 132 Q 4.1322 8.1695 120.6079 56.1420 29.3592 176.4060 133 N 4.8769 8.1831 117.5870 51.7914 37.8065 173.8610 134 S 4.4940 7.1157 112.1787 58.9272 64.5807 176.0956 135 N 4.6451 8.6668 116.0241 53.2285 39.0089 176.1603 136 R 4.0440 7.4117 117.6796 55.9448 31.1237 175.6361 137 P 4.2719 0.0000 0.0000 66.0931 31.2859 179.1003 138 K 4.0008 8.0943 116.4096 59.6470 31.9353 179.2702 139 Q 4.0410 8.0759 118.0277 58.8764 28.7021 178.7844 140 K 4.4337 7.9593 120.2348 58.6082 32.0903 179.2222 141 E 4.0275 8.2263 119.2715 59.0997 29.5689 178.7166 142 K 3.8856 8.1808 119.7439 59.3824 32.1802 178.5591 143 W 4.1746 8.4333 128.3013 60.4195 30.6846 177.7112 144 K 3.6540 8.2662 119.6094 59.5572 31.3623 178.3111 145 S 4.0119 8.2590 112.2839 61.6628 62.1473 175.1518 146 Y 4.1912 7.8116 121.8130 61.1211 38.3250 178.7425 147 V 3.0511 7.1018 111.9291 64.1102 31.5891 178.1681 148 D 4.3681 7.8883 118.1120 56.2419 40.8389 176.4130 149 N 4.7176 7.3798 116.7879 53.2041 40.4627 174.2627 150 L 4.7101 6.7886 116.5414 52.3201 46.0124 177.1181 151 Q 4.2181 7.9031 119.4209 56.3426 30.0711 175.2522 152 T 4.8899 8.1260 110.4632 60.5313 72.7138 174.0128 153 K 4.5496 8.5504 119.2068 54.4399 34.0105 178.4405 154 A 4.5321 8.0276 135.0000 49.1381 17.7474 177.7875 155 L 3.9769 8.7197 118.5128 57.3656 41.9645 174.1584 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 4 A 8.11 4.15 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 5 V 6.87 2.94 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 0.60 0.00 0.00 0.93 0.00 0.00 6 L 8.13 4.60 0.00 1.64 1.44 0.82 0.94 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 7 Y 8.79 4.60 0.00 1.76 2.42 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 0.00 8 K 8.30 4.97 0.00 1.58 1.51 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 9 S 9.21 4.67 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 10 N 8.70 4.65 0.00 2.65 2.84 0.00 0.00 6.75 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 11 H 7.37 5.18 0.00 3.17 2.44 0.00 5.59 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.10 5.27 0.00 2.88 3.19 0.00 0.00 6.62 7.68 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 13 V 8.08 4.39 2.30 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 1.05 0.00 0.00 1.05 0.00 0.00 14 V 8.62 4.79 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 0.96 0.00 0.00 1.35 0.00 0.00 15 Y 8.59 4.97 0.00 3.08 3.05 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 16 S 8.76 4.87 0.00 4.00 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 17 C 9.21 4.69 0.00 3.19 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 18 K 8.22 5.09 0.00 1.82 1.67 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 19 Y 9.61 5.24 0.00 2.87 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 20 H 9.36 5.27 0.00 3.39 3.40 0.00 5.56 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 21 I 9.29 5.31 2.03 0.00 0.00 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 1.26 0.86 1.17 0.00 0.00 22 V 9.32 5.08 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 1.15 0.00 0.00 0.69 0.00 0.00 23 W 8.00 5.54 0.00 3.19 3.09 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 24 C 8.71 5.36 0.00 2.97 3.07 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 25 P 0.00 5.11 0.00 2.32 1.99 0.00 3.89 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 26 K 9.00 3.87 0.00 1.64 1.56 0.00 1.31 0.00 0.00 1.40 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.23 7.81 27 Y 8.73 3.64 0.00 3.22 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 28 R 8.33 3.96 0.00 2.00 2.04 0.00 3.29 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 29 R 8.01 4.06 0.00 2.15 1.88 0.00 3.47 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 30 K 8.48 4.48 0.00 1.80 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 31 V 7.43 4.24 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 0.75 0.00 0.00 0.88 0.00 0.00 32 L 7.86 4.38 0.00 1.67 1.66 1.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.18 4.63 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 0.86 0.00 0.00 0.95 0.00 0.00 34 G 8.61 3.68 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 0.00 0.00 0.00 35 A 8.83 4.01 1.52 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 36 V 7.36 2.90 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 0.90 0.00 0.00 -0.17 0.00 0.00 37 E 7.91 3.91 0.00 2.15 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 2.31 2.35 0.00 38 M 7.89 4.06 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 39 R 8.29 4.03 0.00 2.00 2.17 0.00 3.55 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.24 0.00 40 L 8.23 4.08 0.00 1.96 1.97 1.33 1.06 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 41 K 8.29 4.04 0.00 2.02 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.65 7.81 42 E 8.42 4.02 0.00 2.22 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 0.00 2.38 2.64 0.00 43 I 8.08 3.77 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 1.02 0.00 0.00 44 I 8.09 3.93 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.30 1.16 0.00 0.00 45 Q 8.26 4.11 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 46 E 8.29 4.04 0.00 2.22 2.04 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 2.37 2.63 0.00 47 V 8.14 3.69 2.26 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 1.26 0.00 0.00 1.07 0.00 0.00 48 A 8.37 3.98 1.49 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 0.00 0.00 0.00 49 K 7.99 3.73 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 50 E 8.25 3.99 0.00 2.03 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 2.34 2.35 0.00 51 L 7.84 4.25 0.00 1.85 1.56 1.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.21 3.73 0.00 1.67 1.86 0.00 2.98 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.35 0.00 53 V 8.27 3.89 1.52 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 0.03 0.00 0.00 0.70 0.00 0.00 54 E 8.73 4.25 0.00 2.07 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 2.38 2.36 0.00 55 I 8.26 4.34 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.98 0.00 0.00 56 I 8.68 4.00 2.03 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 1.27 0.50 0.93 0.00 0.00 57 E 7.97 4.84 0.00 1.87 1.76 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 2.30 2.31 0.00 58 M 8.33 5.35 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 59 Q 9.02 4.71 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.35 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 60 T 8.13 4.55 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 1.16 0.00 0.00 61 D 8.40 4.46 0.00 2.51 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 62 K 7.68 4.13 0.00 2.04 1.88 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.40 7.81 63 D 7.39 5.40 0.00 2.81 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 64 H 7.55 4.67 0.00 3.21 3.36 0.00 5.41 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.32 4.48 1.55 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.21 -0.56 0.00 0.00 66 H 9.45 5.19 0.00 3.13 3.11 0.00 5.57 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 67 I 9.07 4.95 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.36 1.11 0.00 0.00 68 L 9.54 5.16 0.00 1.72 1.74 0.71 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.17 5.30 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 70 D 9.00 5.35 0.00 2.79 2.47 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 71 I 8.29 4.73 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.74 1.00 0.00 0.00 72 D 8.65 3.65 0.00 2.58 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 73 P 0.00 3.98 0.00 2.09 2.03 0.00 2.21 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 74 S 8.52 4.36 0.00 4.01 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 75 F 8.79 4.43 0.00 2.81 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 76 G 8.34 3.60 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 0.00 77 V 8.41 3.32 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 0.78 0.00 0.00 -0.02 0.00 0.00 78 M 7.80 4.06 0.00 1.93 1.96 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 2.59 2.46 0.00 79 K 7.91 3.92 0.00 0.94 1.40 0.00 1.02 0.00 0.00 1.32 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.05 7.81 80 F 7.95 4.49 0.00 3.25 3.25 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 81 I 7.52 3.12 1.67 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 1.39 0.47 0.50 0.00 0.00 82 K 7.96 3.60 0.00 1.79 1.68 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.55 7.81 83 T 7.51 3.85 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 84 A 7.92 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.76 3.45 0.00 1.24 1.41 0.00 0.61 0.00 0.00 0.81 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 86 G 8.16 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 87 R 8.42 3.91 0.00 1.87 2.10 0.00 3.17 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 1.69 1.67 0.00 88 S 8.10 4.26 0.00 4.45 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 0.00 89 S 8.39 3.88 0.00 3.93 4.16 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 90 R 7.56 3.87 0.00 2.00 2.06 0.00 3.49 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 91 I 8.12 3.86 1.95 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 1.55 0.72 0.96 0.00 0.00 92 L 8.47 4.25 0.00 1.73 1.79 1.01 1.17 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 93 R 7.90 4.15 0.00 1.93 1.96 0.00 3.06 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 94 Q 8.13 4.14 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 95 E 7.93 4.14 0.00 1.65 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 2.11 2.42 0.00 96 F 8.21 4.74 0.00 2.95 2.86 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 97 N 8.88 4.45 0.00 2.84 2.88 0.00 0.00 6.84 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 98 H 8.36 4.53 0.00 3.36 3.58 0.00 5.45 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 99 L 7.39 4.18 0.00 1.68 1.63 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.71 4.18 0.00 1.89 1.94 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.46 7.81 101 T 8.27 4.15 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 0.00 102 K 7.59 4.29 0.00 2.00 1.92 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.50 7.81 103 L 7.19 4.99 0.00 1.72 1.64 0.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.39 0.00 2.16 2.21 0.00 3.82 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 1.92 1.97 0.00 105 T 7.21 4.54 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 1.17 0.00 0.00 106 L 8.27 3.77 0.00 1.21 0.44 -0.32 0.24 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 0.00 107 W 7.42 5.13 0.00 3.20 2.91 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 0.00 108 T 8.37 4.69 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 0.00 109 N 8.60 4.69 0.00 2.81 2.91 0.00 0.00 5.72 7.64 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 0.00 110 S 7.14 4.79 0.00 3.83 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 0.00 111 C 7.81 5.03 0.00 3.23 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 0.00 112 F 9.61 4.96 0.00 3.13 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 0.00 113 I 7.44 5.27 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 1.43 0.74 1.01 0.00 0.00 114 S 8.89 4.69 0.00 3.88 3.78 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 0.00 0.00 0.00 115 T 8.59 4.44 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 0.94 0.00 0.00 116 V 8.95 4.49 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 0.65 0.00 0.00 1.00 0.00 0.00 117 G 8.45 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 0.00 0.00 0.00 118 G 7.85 3.98 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 0.00 0.00 0.00 119 A 8.34 4.12 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 0.00 120 P 0.00 4.31 0.00 2.25 2.32 0.00 3.83 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 2.08 1.99 0.00 121 L 8.23 3.33 0.00 1.81 1.57 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.74 4.36 0.00 2.80 2.83 0.00 0.00 6.53 7.71 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 0.00 123 V 8.32 3.70 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 1.01 0.00 0.00 0.96 0.00 0.00 124 V 7.77 3.76 2.27 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 1.06 0.00 0.00 0.96 0.00 0.00 125 K 7.95 4.01 0.00 1.83 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 126 Q 8.26 3.98 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 127 Y 7.63 4.00 0.00 3.18 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 0.00 128 I 7.87 3.62 1.87 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 1.52 0.84 0.88 0.00 0.00 129 E 7.97 3.88 0.00 1.94 1.99 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 2.29 2.35 0.00 130 N 7.17 4.62 0.00 1.84 2.46 0.00 0.00 7.06 8.98 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 0.00 131 Q 7.20 4.17 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 132 Q 8.17 4.13 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.85 0.00 0.00 0.00 0.00 0.00 2.68 2.08 0.00 133 N 8.18 4.88 0.00 2.76 2.83 0.00 0.00 5.98 7.64 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 0.00 134 S 7.12 4.49 0.00 3.93 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 0.00 135 N 8.67 4.65 0.00 2.71 2.88 0.00 0.00 6.87 7.66 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 0.00 136 R 7.41 4.04 0.00 1.91 1.87 0.00 3.14 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 137 P 0.00 4.27 0.00 2.16 2.13 0.00 3.61 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 2.12 2.21 0.00 138 K 8.09 4.00 0.00 1.80 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 139 Q 8.08 4.04 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 140 K 7.96 4.43 0.00 1.98 1.94 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.70 7.81 141 E 8.23 4.03 0.00 2.23 2.01 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 2.35 2.41 0.00 142 K 8.18 3.89 0.00 1.98 2.05 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.48 7.81 143 W 8.43 4.17 0.00 3.46 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 0.00 144 K 8.27 3.65 0.00 2.00 1.89 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.44 7.81 145 S 8.26 4.01 0.00 3.95 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 0.00 146 Y 7.81 4.19 0.00 3.08 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 0.00 147 V 7.10 3.05 1.67 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 -0.61 0.00 0.00 0.56 0.00 0.00 148 D 7.89 4.37 0.00 2.74 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 0.00 149 N 7.38 4.72 0.00 2.66 2.76 0.00 0.00 6.97 8.96 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 0.00 150 L 6.79 4.71 0.00 1.45 1.26 0.49 0.53 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 0.00 151 Q 7.90 4.22 0.00 1.25 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 152 T 8.13 4.89 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 1.18 0.00 0.00 153 K 8.55 4.55 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 154 A 8.03 4.53 1.09 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 0.00 155 L 8.72 3.98 0.00 1.68 1.58 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00