NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.9213 8.3244 119.3986 57.1901 40.5437 175.0250 4 S 4.1987 8.3686 117.9613 57.1203 64.4994 171.7822 5 E 4.0045 8.8026 126.3274 59.2442 29.9208 178.3418 6 E 3.9869 8.1266 119.3461 59.2433 29.7953 178.7041 7 Q 4.3246 8.0438 117.1796 59.4156 28.9158 178.1965 8 T 3.4337 8.4599 117.8053 65.9575 68.2459 176.6712 9 A 4.0963 7.9842 122.5952 55.2861 18.4957 179.5993 10 E 4.2373 7.9429 116.9934 58.7557 29.5688 179.5253 11 F 3.9489 8.5230 118.4737 60.2891 38.9233 177.6754 12 K 2.0000 7.6879 118.2659 59.2567 31.8199 178.6900 13 E 3.7997 7.6909 119.8644 59.2243 29.2504 179.2911 14 A 3.8857 7.7223 119.1479 55.0196 18.5939 179.3160 15 F 4.0293 7.8073 118.8910 61.5669 39.3826 177.3776 16 Q 4.3371 8.2364 115.3898 57.6344 28.6862 177.3816 17 L 4.1727 7.6084 120.2155 55.5087 43.4499 177.5061 18 F 4.6868 7.1529 118.0978 53.1370 37.3621 172.7276 19 D 4.5828 7.1941 118.4045 53.3806 43.4453 175.6759 20 R 4.0533 8.1789 125.8444 58.7794 31.6905 179.8927 21 T 4.0123 8.4899 111.1401 61.1635 68.2008 174.8120 22 G 4.4291 9.0332 109.3081 45.2469 0.0000 174.8289 23 D 4.4453 8.5556 120.1865 55.0741 40.9233 177.0243 24 G 4.0730 8.3520 107.3634 46.3408 0.0000 172.7148 25 K 5.0347 8.1665 118.2860 54.2842 34.4929 175.9961 26 I 4.0115 10.5167 126.0895 59.9604 38.4860 175.4206 27 L 4.4286 8.2590 128.9263 55.7876 42.6691 177.2556 28 Y 4.1939 8.5180 125.6463 60.9618 38.5542 177.8091 29 S 4.2671 8.4185 113.8445 61.1737 63.9048 175.1546 30 Q 4.4549 7.3453 121.6744 56.1530 28.1548 175.1264 31 C 4.6202 7.7930 119.4008 60.6772 34.4997 175.2538 32 G 3.7683 7.5886 106.0742 48.3920 0.0000 175.2777 33 D 4.3254 7.8745 121.3509 56.5724 40.5866 179.0475 34 V 2.7838 6.9702 117.4983 65.8780 31.7361 177.6129 35 M 4.4597 8.1752 118.3776 58.5524 31.8897 178.9455 36 R 4.7937 8.4107 119.3186 59.0060 30.0528 178.8401 37 A 4.2712 8.2301 119.6754 55.1588 18.3233 178.7671 38 L 4.1890 7.3730 114.4870 54.5851 41.6278 177.1274 39 G 3.8100 8.4837 106.9041 46.7439 0.0000 173.5798 40 Q 4.7579 7.9021 119.0816 54.0457 31.6131 175.1415 41 N 5.2787 8.3908 121.0387 51.8177 39.3376 173.5504 42 P 4.5097 0.0000 0.0000 62.7855 32.3854 176.3994 43 T 4.1166 8.6421 111.6396 61.6088 69.3409 174.1411 44 N 4.4198 8.6595 117.8532 54.1020 38.7627 174.9251 45 A 4.5627 7.9438 117.0665 53.3498 20.6900 178.7647 46 E 3.8630 7.8992 116.2742 59.8994 29.4359 180.0771 47 V 3.5430 7.7817 109.9312 64.9091 31.9310 177.8764 48 M 4.1545 7.9873 117.2850 58.3677 32.1843 178.0487 49 K 3.9303 8.3554 119.5206 60.0769 32.4832 178.8913 50 V 3.9009 7.8320 117.1910 63.9574 31.8919 176.7237 51 L 4.4464 7.6501 118.0553 54.2992 41.4838 178.2186 52 G 3.9369 8.0893 105.4470 45.4004 0.0000 173.0762 53 N 4.2420 7.8988 114.4564 53.1280 35.2088 171.6979 54 P 4.5265 0.0000 0.0000 62.9667 32.7212 176.2262 55 K 4.6097 8.2200 117.3904 54.5472 34.6473 177.6072 56 S 4.1635 8.7268 118.0666 61.9798 62.3252 176.8151 57 D 4.3660 7.9762 121.1392 56.3238 39.6894 178.1155 58 E 4.0968 8.1243 118.9010 58.5516 29.9256 178.6046 59 M 4.2883 8.6264 120.5471 58.0546 31.8084 177.2926 60 N 4.7907 7.7206 113.7209 54.3112 39.3279 175.0155 61 L 4.8485 7.5203 118.1196 54.9253 43.3763 176.0164 62 K 4.7136 8.0471 117.4682 54.8887 35.2262 175.1449 63 T 4.9328 7.9393 111.3625 60.2540 72.2189 173.4042 64 L 4.4332 8.0582 120.6338 54.6736 45.5669 174.1730 65 K 4.8958 8.7288 126.2523 55.1706 33.3539 177.7769 66 F 2.4058 8.5286 124.0893 61.3813 38.6943 177.6263 67 E 3.5425 7.8098 116.1445 59.3709 29.3438 178.9121 68 Q 4.1384 7.7389 116.8010 58.6044 29.1954 177.8132 69 F 4.2643 8.6867 122.4035 60.6333 39.2667 176.7282 70 L 3.9981 7.8118 120.7053 57.8990 41.8098 177.2168 71 P 5.0007 0.0000 0.0000 65.8153 31.0036 178.1527 72 M 4.2009 7.7307 119.1564 57.5087 31.8108 177.9880 73 M 4.0399 7.8208 118.3562 58.9073 32.5094 178.3153 74 Q 3.6625 7.9090 118.0829 59.0239 28.8573 178.5775 75 T 3.8237 7.5570 110.3012 65.3084 68.2780 176.2610 76 I 3.6993 7.6686 121.2181 63.7171 37.2197 178.0504 77 A 4.4265 8.2633 120.9099 53.0517 18.1922 177.2233 78 K 4.4831 7.6022 116.5367 54.9412 33.6133 174.6679 79 N 4.8517 8.3490 125.3686 52.2175 41.2876 173.3083 80 K 4.3619 8.9514 115.9184 58.9465 34.5061 175.6384 81 D 4.9893 7.6824 116.5666 51.9480 43.9911 175.1469 82 Q 4.3557 8.3147 120.8846 54.6139 32.1850 175.0073 83 G 3.1227 8.2972 112.7613 46.0105 0.0000 171.3645 84 C 4.6807 7.5472 111.4991 57.5075 32.2729 175.7849 85 F 3.8001 8.8678 122.7801 61.9813 40.1395 178.0733 86 E 4.0470 7.9536 119.2003 59.2704 29.7901 177.8168 87 D 4.8947 9.7647 117.2548 56.0204 42.2254 177.6696 88 Y 4.4645 7.4508 113.6838 62.4622 38.1275 178.8033 89 V 3.6364 8.3908 111.6591 65.1384 31.6322 179.0063 90 E 3.9569 7.7921 118.7449 59.1011 30.0677 179.3449 91 G 3.5876 7.9474 105.5764 47.5573 0.0000 175.7339 92 L 4.2165 9.0451 121.7196 57.2776 41.5334 179.5008 93 R 3.1274 6.9983 117.6095 58.9212 29.7711 178.4853 94 V 3.6602 6.8108 115.6499 65.3187 31.3755 176.9576 95 F 4.8936 7.0531 113.7271 56.2780 39.2627 174.8529 96 D 4.3555 8.1449 119.4813 55.0024 40.7401 175.9985 97 K 4.1637 8.2471 127.2395 59.4676 32.7381 177.5551 98 E 4.6838 8.6293 117.9241 56.0432 31.0791 175.7548 99 G 3.8943 8.5571 104.3768 46.6198 0.0000 175.0437 100 N 4.4209 8.4958 115.7370 53.3173 38.6331 175.9653 101 G 4.5657 8.8488 106.3310 45.8197 0.0000 173.5153 102 T 4.5268 7.9299 108.0849 60.3844 72.0028 173.7269 103 V 4.3825 8.4711 124.5329 62.0242 35.0523 174.0192 104 M 4.6822 8.3301 121.5436 54.1628 34.0941 177.5309 105 G 3.7547 8.3887 103.8538 46.8463 0.0000 175.7895 106 A 4.1461 7.7072 122.4291 54.4919 19.4416 178.5216 107 E 3.6923 8.1225 117.3445 59.6591 29.4422 179.1410 108 I 3.5114 7.2645 117.9513 64.3559 37.0559 178.3872 109 R 3.8475 7.3305 117.5142 59.6047 30.0395 178.1343 110 H 4.2552 8.4664 116.8744 59.4875 30.1179 176.8297 111 V 3.5122 7.2684 119.2888 66.0817 31.3417 177.5956 112 L 4.1991 7.9694 116.4367 55.9601 41.2134 178.0667 113 V 4.3400 7.4554 118.7967 62.2513 32.0349 175.8426 114 T 4.5247 7.7878 110.4711 63.4559 73.5771 173.4985 115 L 4.6991 7.5653 121.9269 53.5488 45.2582 176.9778 116 G 3.6639 8.6688 112.9050 46.6775 0.0000 177.0416 117 E 4.2847 8.6099 115.7044 55.7701 26.6753 174.7184 118 K 3.9931 8.0103 119.3135 57.0029 32.9218 176.2829 119 M 4.6076 8.3680 125.4563 53.6996 33.2569 176.5415 120 T 4.0066 8.8775 117.8267 62.3174 68.6051 174.7471 121 E 3.8874 8.8954 125.6811 60.4477 29.5932 178.7901 122 E 3.9254 8.5070 119.4515 58.4171 28.8715 179.4860 123 E 3.8341 7.7229 117.5834 59.5900 29.9122 180.3539 124 V 3.5912 7.6672 111.9809 64.3604 31.6374 178.1417 125 E 3.8828 8.2418 119.2498 59.4483 29.3863 178.8504 126 Q 4.0599 8.3329 116.6004 58.3458 28.8012 177.7603 127 L 4.0341 7.4020 122.3068 57.8600 42.4812 178.3480 128 V 4.0943 7.4914 110.1105 60.3485 32.4169 173.6283 129 A 4.5011 6.9985 122.2015 54.0015 17.5486 175.9642 130 G 3.6131 8.3321 109.7563 46.4407 0.0000 172.6617 131 H 4.6001 9.1982 118.6819 56.7695 29.6612 175.0373 132 E 4.8716 8.2903 118.3423 55.1938 31.0595 175.3418 133 D 5.0525 8.4838 128.7134 53.0062 40.4298 177.5799 134 S 4.0413 8.8275 111.1007 61.9748 63.0702 175.5053 135 N 4.4148 8.2776 116.2975 52.7643 39.2228 174.7083 136 G 3.7549 8.0030 106.5866 46.9636 0.0000 172.9611 137 C 5.1233 9.0232 115.9967 57.7769 31.6794 175.1818 138 I 4.9698 8.6346 123.2262 58.2156 39.9055 174.5103 139 N 4.5433 8.7163 127.4953 53.7493 39.4598 175.2227 140 Y 4.1279 8.3692 125.2603 60.3414 38.4624 178.3993 141 E 4.0478 7.1114 114.7780 56.5869 28.9627 177.0184 142 E 4.8728 9.0883 118.1836 56.1052 36.1787 177.3155 143 L 4.1770 8.1486 120.8590 58.1443 42.1435 178.8113 144 V 3.5724 7.8672 117.7057 66.2653 31.4080 177.9550 145 R 4.0996 8.1797 117.1949 59.5617 29.9709 178.5446 146 M 4.1489 8.0415 117.4145 58.0286 31.9326 178.1802 147 V 3.9927 7.4967 110.9046 63.7969 32.2231 177.1999 148 L 4.2437 8.5030 119.8833 57.2552 41.2579 179.3119 149 S 4.4974 8.5216 119.1113 61.4091 63.1744 174.9627 150 G 4.2430 7.3891 114.5017 45.2238 0.0000 173.1809 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 F 8.32 4.92 0.00 2.81 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.37 4.20 0.00 4.01 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 5 E 8.80 4.00 0.00 2.13 1.94 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 2.39 2.45 0.00 6 E 8.13 3.99 0.00 2.10 1.95 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 2.35 2.34 0.00 7 Q 8.04 4.32 0.00 2.59 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.09 0.00 8 T 8.46 3.43 4.38 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 1.26 0.00 0.00 9 A 7.98 4.10 1.47 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 10 E 7.94 4.24 0.00 2.38 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 2.33 2.47 0.00 11 F 8.52 3.95 0.00 3.40 3.38 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 12 K 7.69 2.00 0.00 1.50 0.88 0.00 1.40 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.68 1.98 7.81 13 E 7.69 3.80 0.00 1.98 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 2.28 2.48 0.00 14 A 7.72 3.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.81 4.03 0.00 3.02 2.79 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 16 Q 8.24 4.34 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.66 2.37 0.00 17 L 7.61 4.17 0.00 1.54 1.61 0.71 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.15 4.69 0.00 2.97 2.57 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 19 D 7.19 4.58 0.00 2.60 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 20 R 8.18 4.05 0.00 1.96 1.91 0.00 3.11 0.00 0.00 3.29 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 21 T 8.49 4.01 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 1.22 0.00 0.00 22 G 9.03 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 0.00 0.00 0.00 0.00 23 D 8.56 4.45 0.00 2.73 2.82 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 24 G 8.35 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 25 K 8.17 5.03 0.00 1.75 1.84 0.00 1.94 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 26 I 10.52 4.01 1.86 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.46 1.06 0.00 0.00 27 L 8.26 4.43 0.00 1.87 1.68 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.52 4.19 0.00 2.97 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 29 S 8.42 4.27 0.00 4.10 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 30 Q 7.35 4.45 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 31 C 7.79 4.62 0.00 2.97 2.87 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 32 G 7.59 3.77 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 0.00 33 D 7.87 4.33 0.00 2.33 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.97 2.78 1.97 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 0.27 0.00 0.00 -0.06 0.00 0.00 35 M 8.18 4.46 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.09 0.00 36 R 8.41 4.79 0.00 2.01 2.00 0.00 3.22 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 37 A 8.23 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.37 4.19 0.00 1.82 1.36 1.10 0.51 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 39 G 8.48 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.90 4.76 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 41 N 8.39 5.28 0.00 2.79 2.83 0.00 0.00 7.00 8.02 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 42 P 0.00 4.51 0.00 2.18 2.12 0.00 3.91 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 2.01 1.99 0.00 43 T 8.64 4.12 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 1.30 0.00 0.00 44 N 8.66 4.42 0.00 2.65 3.07 0.00 0.00 6.75 7.96 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 45 A 7.94 4.56 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.90 3.86 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 2.34 2.39 0.00 47 V 7.78 3.54 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 0.70 0.00 0.00 0.95 0.00 0.00 48 M 7.99 4.15 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.66 0.00 49 K 8.36 3.93 0.00 1.98 2.27 0.00 1.34 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.43 7.81 50 V 7.83 3.90 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 0.77 0.00 0.00 0.91 0.00 0.00 51 L 7.65 4.45 0.00 1.84 1.66 0.43 0.16 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 52 G 8.09 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 53 N 7.90 4.24 0.00 2.97 3.01 0.00 0.00 6.95 7.93 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 54 P 0.00 4.53 0.00 2.38 2.20 0.00 3.74 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.92 0.00 55 K 8.22 4.61 0.00 2.04 2.16 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.42 7.81 56 S 8.73 4.16 0.00 4.05 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 57 D 7.98 4.37 0.00 2.85 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 58 E 8.12 4.10 0.00 2.14 2.20 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 2.39 2.56 0.00 59 M 8.63 4.29 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.92 0.00 60 N 7.72 4.79 0.00 2.93 2.84 0.00 0.00 7.00 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 61 L 7.52 4.85 0.00 1.62 1.58 0.92 0.81 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 62 K 8.05 4.71 0.00 1.57 1.05 0.00 0.61 0.00 0.00 1.40 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.00 7.81 63 T 7.94 4.93 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 1.24 0.00 0.00 64 L 8.06 4.43 0.00 2.11 1.91 1.10 1.08 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 65 K 8.73 4.90 0.00 1.93 1.72 0.00 2.07 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.49 7.81 66 F 8.53 2.41 0.00 1.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.81 3.54 0.00 1.88 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 2.24 2.27 0.00 68 Q 7.74 4.14 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 69 F 8.69 4.26 0.00 3.40 3.27 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 70 L 7.81 4.00 0.00 1.42 1.61 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 5.00 0.00 2.25 2.26 0.00 3.84 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 2.13 1.88 0.00 72 M 7.73 4.20 0.00 1.74 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 73 M 7.82 4.04 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.24 3.37 0.00 74 Q 7.91 3.66 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.50 0.00 0.00 0.00 0.00 0.00 2.18 2.51 0.00 75 T 7.56 3.82 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 76 I 7.67 3.70 2.11 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 0.93 0.00 0.00 77 A 8.26 4.43 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 78 K 7.60 4.48 0.00 1.70 1.70 0.00 1.45 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.48 7.81 79 N 8.35 4.85 0.00 2.64 2.64 0.00 0.00 6.96 7.61 0.00 0.00 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 K 8.95 4.36 0.00 1.80 1.86 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.31 7.81 81 D 7.68 4.99 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 82 Q 8.31 4.36 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 83 G 8.30 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 0.00 0.00 0.00 84 C 7.55 4.68 0.00 3.17 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 85 F 8.87 3.80 0.00 3.20 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 86 E 7.95 4.05 0.00 2.01 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 2.36 2.51 0.00 87 D 9.76 4.89 0.00 2.56 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 88 Y 7.45 4.46 0.00 3.05 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 89 V 8.39 3.64 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 -0.07 0.00 0.00 0.66 0.00 0.00 90 E 7.79 3.96 0.00 2.08 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 2.31 2.38 0.00 91 G 7.95 3.59 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 0.00 0.00 0.00 92 L 9.05 4.22 0.00 1.41 1.52 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.00 3.13 0.00 1.63 1.92 0.00 3.15 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 94 V 6.81 3.66 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 0.57 0.00 0.00 0.72 0.00 0.00 95 F 7.05 4.89 0.00 3.23 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 96 D 8.14 4.36 0.00 2.97 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 97 K 8.25 4.16 0.00 1.79 2.15 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.61 7.81 98 E 8.63 4.68 0.00 1.96 1.88 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 2.26 2.32 0.00 99 G 8.56 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.50 4.42 0.00 2.91 2.92 0.00 0.00 7.09 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 0.00 101 G 8.85 4.57 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 0.00 0.00 0.00 102 T 7.93 4.53 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 1.10 0.00 0.00 103 V 8.47 4.38 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 1.08 0.00 0.00 1.15 0.00 0.00 104 M 8.33 4.68 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 105 G 8.39 3.75 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 0.00 0.00 0.00 106 A 7.71 4.15 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 0.00 107 E 8.12 3.69 0.00 2.05 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 2.40 2.46 0.00 108 I 7.26 3.51 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.87 0.00 0.00 109 R 7.33 3.85 0.00 1.83 1.98 0.00 3.29 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 110 H 8.47 4.26 0.00 3.13 3.21 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.27 3.51 1.94 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 0.87 0.00 0.00 -0.08 0.00 0.00 112 L 7.97 4.20 0.00 1.75 1.64 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.46 4.34 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 0.86 0.00 0.00 1.03 0.00 0.00 114 T 7.79 4.52 4.10 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 1.12 0.00 0.00 115 L 7.57 4.70 0.00 1.71 1.56 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.67 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 0.00 117 E 8.61 4.28 0.00 1.97 1.94 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 2.32 2.29 0.00 118 K 8.01 3.99 0.00 1.63 1.76 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.49 7.81 119 M 8.37 4.61 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 120 T 8.88 4.01 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 1.24 0.00 0.00 121 E 8.90 3.89 0.00 2.19 2.20 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 2.36 2.39 0.00 122 E 8.51 3.93 0.00 2.01 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 0.00 2.32 2.50 0.00 123 E 7.72 3.83 0.00 2.30 1.97 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 2.39 2.45 0.00 124 V 7.67 3.59 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 0.98 0.00 0.00 1.02 0.00 0.00 125 E 8.24 3.88 0.00 2.07 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 0.00 2.29 2.35 0.00 126 Q 8.33 4.06 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 127 L 7.40 4.03 0.00 1.75 1.87 0.89 1.30 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 0.00 128 V 7.49 4.09 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 0.78 0.00 0.00 0.99 0.00 0.00 129 A 7.00 4.50 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 0.00 130 G 8.33 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.20 4.60 0.00 3.28 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.29 4.87 0.00 2.16 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 2.37 2.26 0.00 133 D 8.48 5.05 0.00 2.85 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 0.00 134 S 8.83 4.04 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.28 4.41 0.00 2.77 2.91 0.00 0.00 7.14 7.77 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 0.00 136 G 8.00 3.75 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 0.00 0.00 0.00 137 C 9.02 5.12 0.00 2.93 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.63 4.97 1.92 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 1.17 1.64 0.99 0.00 0.00 139 N 8.72 4.54 0.00 2.72 2.64 0.00 0.00 6.89 7.56 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 0.00 140 Y 8.37 4.13 0.00 3.18 3.19 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 0.00 141 E 7.11 4.05 0.00 1.95 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 1.75 1.83 0.00 142 E 9.09 4.87 0.00 1.91 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 2.29 2.48 0.00 143 L 8.15 4.18 0.00 1.94 1.73 0.97 0.81 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 0.00 144 V 7.87 3.57 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 0.95 0.00 0.00 0.97 0.00 0.00 145 R 8.18 4.10 0.00 2.19 2.05 0.00 3.20 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 146 M 8.04 4.15 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.77 0.00 147 V 7.50 3.99 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 0.84 0.00 0.00 1.03 0.00 0.00 148 L 8.50 4.24 0.00 1.99 1.71 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.52 4.50 0.00 4.10 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 0.00 150 G 7.39 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 0.00 0.00 0.00 0.00