NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0866 8.0549 120.3924 62.6444 32.6831 174.9299 2 L 4.1967 8.2801 126.8181 51.8287 42.9212 175.6131 3 S 4.4962 9.1070 117.6105 57.7569 66.1227 174.8495 4 E 4.2672 8.7849 122.2686 59.4988 29.3561 178.9686 5 G 3.6069 8.0809 105.3448 47.8154 0.0000 175.4262 6 E 3.9383 8.2864 120.9270 58.9381 29.4073 179.4473 7 W 4.3208 8.1682 119.0929 59.8981 28.9914 178.5682 8 Q 4.2147 8.6198 118.3192 58.9138 28.1916 178.8819 9 L 4.0618 8.0475 120.1296 57.6878 41.6649 179.5959 10 V 3.7684 8.0500 118.2344 66.3061 31.5551 178.1473 11 L 4.2814 8.6881 118.7044 57.5018 41.2142 179.0121 12 H 4.2016 8.5005 118.6803 59.2736 30.2299 177.3854 13 V 3.7336 7.9015 120.4938 64.2874 31.4203 178.1105 14 W 3.7594 8.6075 128.9186 60.0593 30.2281 177.7024 15 A 4.7847 7.7691 121.5280 54.5840 17.9058 179.4439 16 K 3.8825 7.6984 116.9749 59.3625 32.0058 179.7224 17 V 2.6905 6.9114 118.1420 65.5462 31.3477 177.5064 18 E 3.9447 7.7210 117.1534 58.1947 29.0190 178.8328 19 A 4.2507 7.4010 120.5705 53.8984 19.5653 177.3211 20 D 4.4959 7.8607 116.6064 52.3342 42.7784 175.5998 21 V 3.5649 8.1500 124.5098 65.4250 31.8097 177.0583 22 A 4.0609 7.9840 120.2730 54.8897 18.2529 179.7705 23 G 3.4323 8.3671 104.4746 48.2283 0.0000 175.8181 24 H 4.1361 8.1626 118.8454 58.4301 28.5864 178.2137 25 G 3.5355 8.1844 107.6909 47.7909 0.0000 175.8790 26 Q 3.8959 8.1929 120.5120 58.8475 28.7510 178.5720 27 D 4.3051 8.0499 119.9166 57.2322 40.8077 178.9588 28 I 3.6619 7.9233 120.5451 64.4763 37.0777 178.5965 29 L 3.5227 7.9914 119.9707 57.4868 41.3075 179.6502 30 I 3.7332 7.9900 120.4028 64.0952 36.9795 178.4742 31 R 3.7902 8.0001 119.6802 59.2261 29.8902 178.1746 32 L 3.8971 7.7313 120.1161 58.4367 41.9677 179.0699 33 F 4.7132 8.2532 120.1951 60.8028 38.5829 178.6214 34 K 4.1129 8.0532 122.9618 59.7043 31.7317 182.7352 35 S 4.4558 8.3472 115.7779 60.3107 64.2137 174.6266 36 H 4.6750 8.2857 118.4882 51.9351 29.4237 171.7523 37 P 4.7097 0.0000 0.0000 64.7417 31.5155 177.6549 38 E 4.2608 8.2256 116.2097 59.5496 29.5344 179.1152 39 T 3.9229 8.1927 110.6919 64.1886 68.7970 176.2572 40 L 3.6156 8.0188 123.3199 57.6267 41.7246 178.5679 41 E 3.9998 7.9777 117.8970 58.9904 29.4257 178.6751 42 K 4.2246 7.7823 116.3128 56.7727 32.7711 177.0876 43 F 4.3439 7.5541 119.2364 55.0124 38.9403 175.5503 44 D 4.2716 8.2573 125.9663 57.1314 40.8637 178.4014 45 R 4.2392 7.7048 115.9640 57.9110 30.4602 177.7516 46 F 4.9502 7.7903 111.8551 57.3960 39.1857 176.2939 47 K 3.9659 7.9705 121.9205 59.9369 32.3802 177.1223 48 H 4.7067 7.8851 114.7153 55.7275 29.3469 175.3774 49 L 4.2271 7.9457 120.4676 54.9023 41.9068 177.0464 50 K 4.5398 9.2151 120.6015 56.0265 34.7145 176.8804 51 T 4.7359 7.6496 107.9533 58.9083 73.0486 174.2049 52 E 3.8848 8.6952 121.5500 59.6670 29.5980 178.9289 53 A 4.1394 7.9718 120.0846 55.0689 18.2107 179.3392 54 E 3.9152 7.6812 116.4406 59.8585 29.9488 179.1688 55 M 4.1664 8.2223 118.7786 58.3459 31.8263 178.9957 56 K 3.9419 8.4313 117.6711 59.1658 32.2622 178.6866 57 A 4.2473 7.8341 119.4861 52.5345 18.9513 177.3987 58 S 4.1968 7.3161 113.5244 57.6327 63.1354 174.4440 59 E 3.9162 8.9105 128.5557 59.5953 29.4594 178.4574 60 D 4.4052 8.0363 118.4965 57.1631 40.8635 178.3894 61 L 2.9012 7.5396 120.9125 57.5284 41.9396 178.9257 62 K 3.8351 7.9395 119.5799 59.3762 32.0425 178.8557 63 K 3.9570 8.2898 119.0689 59.7813 31.9019 178.8066 64 H 4.3373 8.6283 118.8105 59.2554 29.7862 177.4499 65 G 3.5811 8.3768 107.9490 47.8103 0.0000 175.8478 66 V 3.5986 7.6683 120.0062 65.9650 31.6136 177.9541 67 T 3.8694 8.1404 115.8937 66.8376 68.2884 176.2692 68 V 3.6039 7.8938 119.8431 66.4097 31.5741 178.1815 69 L 4.2437 8.2027 118.4318 57.7736 41.4482 179.5494 70 T 3.9177 8.4583 116.2395 66.7422 68.4190 176.4600 71 A 4.0061 7.9037 122.1128 54.9153 18.3638 179.4865 72 L 3.6806 8.2610 119.3808 58.0353 42.1296 179.4156 73 G 3.0829 8.7316 105.8600 47.4655 0.0000 175.5650 74 A 3.9577 7.6978 122.2554 54.8100 18.6465 179.4592 75 I 3.7188 7.6625 118.2922 64.6655 37.1596 178.6505 76 L 3.9286 7.6778 119.6865 57.7199 41.1647 179.7672 77 K 3.9027 7.7475 117.2159 58.7765 32.1573 178.7209 78 K 3.9415 7.9812 117.8159 56.0272 32.7558 176.5282 79 K 2.0000 8.3637 119.0223 56.2591 29.7466 175.4694 80 G 3.9091 7.5777 105.6918 45.6530 0.0000 173.3653 81 H 4.5514 7.4355 119.1199 55.4879 27.6631 175.4308 82 H 5.3642 7.2456 113.6549 54.9090 29.3541 175.6685 83 E 3.9593 8.2717 123.3509 60.2667 29.0236 179.0641 84 A 4.0432 7.8798 119.0023 55.0944 18.2260 179.0878 85 E 4.0928 8.1187 116.8073 59.4704 29.5995 179.3026 86 L 4.1753 8.3324 119.3663 57.1099 41.6192 179.1327 87 K 3.8687 8.2232 120.2961 59.2191 32.2310 177.0431 88 P 4.3305 0.0000 0.0000 65.5176 31.1065 178.1052 89 L 3.9362 7.5015 116.7977 58.1683 42.0670 178.7457 90 A 4.2043 8.4418 121.1074 55.2038 18.1937 179.5457 91 Q 3.9627 8.1694 116.8117 59.3707 28.8360 179.3782 92 S 4.0803 8.0769 114.7949 61.5701 63.2314 176.0389 93 H 4.2244 9.1276 119.8618 58.0575 28.2146 177.4611 94 A 2.7213 8.0158 122.5448 53.9504 18.6203 178.7588 95 T 4.0996 7.7334 106.3086 61.8771 69.9838 175.3205 96 K 4.1891 7.5286 120.2009 58.0592 33.6092 176.6383 97 H 4.2992 8.0458 114.3280 55.9520 29.5358 175.4429 98 K 3.0173 7.3909 117.0398 56.9439 28.5595 175.3241 99 I 4.2061 7.6197 118.2057 58.8128 38.0185 174.8356 100 P 4.3900 0.0000 0.0000 62.7761 31.9481 177.7831 101 I 3.7703 8.4004 121.6957 64.5874 36.9707 178.7041 102 K 3.7630 8.0665 118.7981 59.8824 31.7795 178.6800 103 Y 4.2503 7.9921 116.8726 61.0360 37.8705 178.3883 104 L 4.2470 7.9424 119.6087 57.5949 41.7785 179.1235 105 E 4.0056 8.3933 118.8894 59.4991 29.4367 179.2167 106 F 4.9895 7.9445 119.0448 60.3363 38.9249 177.6560 107 I 3.9119 8.1656 117.7802 63.7352 37.7582 178.0630 108 S 4.2259 8.0947 116.2713 61.6774 62.6139 176.4140 109 E 4.0818 8.5657 121.0998 59.3155 29.1122 179.2857 110 A 4.0446 8.2378 120.9277 55.0458 18.3683 179.5645 111 I 3.6788 8.0733 118.5578 64.8414 37.2593 178.7248 112 I 3.8595 8.0075 120.4062 64.5571 36.8921 177.8523 113 H 4.1068 8.4303 119.0706 59.5270 29.6836 177.4545 114 V 3.5476 8.1925 120.1900 65.9680 31.2550 177.9744 115 L 3.7527 8.0097 118.9370 57.8253 41.0424 178.9879 116 H 4.4474 8.1570 117.4426 59.2804 29.9055 177.0687 117 S 4.1426 7.9940 114.0505 61.3545 62.3699 175.7925 118 R 4.1391 7.9905 119.2145 57.3448 30.9448 176.3337 119 H 5.0336 8.4354 116.4578 54.3215 29.7433 173.5805 120 P 4.2985 0.0000 0.0000 65.6352 31.6797 178.9513 121 G 3.6871 8.1625 106.9625 47.6480 0.0000 173.7297 122 D 5.0378 8.2661 118.0616 53.9200 41.8772 176.7871 123 F 4.9684 7.8763 119.9666 56.1503 39.5975 173.8414 124 G 3.8764 7.7938 109.5390 43.5972 0.0000 172.1882 125 A 3.8897 8.4905 120.9725 55.7039 18.0692 179.6516 126 D 4.1887 7.9876 116.2089 57.4083 40.8865 178.7777 127 A 3.9742 7.7433 120.8849 54.9607 18.4100 179.3286 128 Q 3.0736 7.9865 118.8099 58.7183 28.9161 178.6267 129 G 3.4765 8.1707 106.8978 47.5772 0.0000 175.6212 130 A 3.8310 7.9916 123.4368 54.9890 18.3623 179.4294 131 M 4.0272 8.4314 117.1421 58.9367 32.3434 178.0367 132 N 4.3604 8.5678 117.0476 56.3428 38.6128 177.5276 133 K 3.8944 8.3798 119.8755 59.4293 32.1791 179.2716 134 A 3.9505 7.9894 121.0478 55.1846 18.2075 179.7047 135 L 4.1854 8.3087 117.6787 57.6773 41.7264 179.2095 136 E 3.9687 8.4882 119.6881 59.1243 29.5543 178.6848 137 L 3.9988 8.3036 120.7026 57.9507 42.1882 178.6356 138 F 4.1402 8.4365 120.6270 61.5237 39.3482 177.3577 139 R 3.4108 8.3441 118.0076 58.7293 29.8120 178.8596 140 K 3.8007 8.0342 119.4306 59.7593 32.2273 178.6407 141 D 4.3051 7.9914 118.9846 57.2603 40.6709 178.6851 142 I 3.3380 7.3966 120.0971 64.1904 36.9936 178.2665 143 A 3.7420 7.7553 121.1669 55.1137 18.2229 179.5965 144 A 3.9624 7.9918 119.2303 55.2199 18.2925 180.0756 145 K 4.0220 8.0888 117.0977 59.5067 32.0647 179.1049 146 Y 4.5279 8.3949 117.6294 61.2780 37.8092 178.8454 147 K 4.0535 8.1289 119.1454 59.7853 31.9954 179.0808 148 E 4.0560 7.9821 117.2678 59.0872 29.4338 178.5368 149 L 4.5251 7.5357 116.4305 53.9800 42.0119 177.1054 150 G 3.8611 8.2596 107.4736 46.1674 0.0000 172.5649 151 Y 4.6615 7.9242 120.2080 55.5057 40.4865 175.6594 152 Q 3.8325 8.1083 126.6478 58.7808 29.3628 176.2115 153 G 3.8179 6.5740 109.1966 45.5029 0.0000 172.9958 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 V 8.05 4.09 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.28 4.20 0.00 0.70 0.73 0.64 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.11 4.50 0.00 4.01 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 4 E 8.78 4.27 0.00 2.20 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 2.44 2.51 0.00 5 G 8.08 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 6 E 8.29 3.94 0.00 1.91 1.70 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 2.20 2.25 0.00 7 W 8.17 4.32 0.00 3.57 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.62 4.21 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.79 0.00 9 L 8.05 4.06 0.00 1.91 1.77 0.91 0.86 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 10 V 8.05 3.77 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 1.23 0.00 0.00 0.91 0.00 0.00 11 L 8.69 4.28 0.00 1.89 1.81 0.97 1.00 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 12 H 8.50 4.20 0.00 3.25 3.58 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.90 3.73 2.43 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 0.91 0.00 0.00 0.78 0.00 0.00 14 W 8.61 3.76 0.00 3.69 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 15 A 7.77 4.78 1.33 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 16 K 7.70 3.88 0.00 1.49 1.44 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.41 1.39 7.81 17 V 6.91 2.69 0.67 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 0.06 0.00 0.00 0.06 0.00 0.00 18 E 7.72 3.94 0.00 2.12 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 2.34 2.24 0.00 19 A 7.40 4.25 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 20 D 7.86 4.50 0.00 2.71 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 21 V 8.15 3.56 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 7.98 4.06 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 23 G 8.37 3.43 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 24 H 8.16 4.14 0.00 3.27 3.20 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.18 3.54 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 0.00 0.00 0.00 26 Q 8.19 3.90 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 27 D 8.05 4.31 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 28 I 7.92 3.66 1.95 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 1.51 0.81 0.89 0.00 0.00 29 L 7.99 3.52 0.00 1.43 1.03 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.99 3.73 1.90 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 1.43 0.73 0.90 0.00 0.00 31 R 8.00 3.79 0.00 1.93 2.11 0.00 3.03 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 32 L 7.73 3.90 0.00 1.68 1.35 1.00 0.88 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 33 F 8.25 4.71 0.00 3.06 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 34 K 8.05 4.11 0.00 1.86 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 35 S 8.35 4.46 0.00 3.56 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 36 H 8.29 4.68 0.00 2.95 2.83 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.71 0.00 2.16 2.13 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 38 E 8.23 4.26 0.00 2.29 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 0.00 2.39 2.59 0.00 39 T 8.19 3.92 4.34 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 0.49 0.00 0.00 40 L 8.02 3.62 0.00 1.43 1.79 0.17 0.81 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 41 E 7.98 4.00 0.00 2.21 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 0.00 2.33 2.35 0.00 42 K 7.78 4.22 0.00 1.26 1.36 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.81 7.81 43 F 7.55 4.34 0.00 2.38 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.27 0.00 2.55 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 45 R 7.70 4.24 0.00 1.98 2.37 0.00 3.64 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 46 F 7.79 4.95 0.00 3.06 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 47 K 7.97 3.97 0.00 1.77 1.92 0.00 1.41 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 0.99 7.81 48 H 7.89 4.71 0.00 3.16 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.95 4.23 0.00 1.69 1.63 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.22 4.54 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.48 7.81 51 T 7.65 4.74 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 52 E 8.70 3.88 0.00 2.05 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 2.36 2.38 0.00 53 A 7.97 4.14 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.68 3.92 0.00 2.13 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 2.35 2.35 0.00 55 M 8.22 4.17 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.63 0.00 56 K 8.43 3.94 0.00 1.74 1.84 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.83 4.25 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 58 S 7.32 4.20 0.00 3.84 3.72 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 59 E 8.91 3.92 0.00 2.07 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 2.38 2.39 0.00 60 D 8.04 4.41 0.00 2.92 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.54 2.90 0.00 0.54 1.21 0.77 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 3.84 0.00 1.90 1.90 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 63 K 8.29 3.96 0.00 2.04 1.90 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.54 7.81 64 H 8.63 4.34 0.00 3.55 3.47 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.38 3.58 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 0.00 66 V 7.67 3.60 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 1.07 0.00 0.00 1.00 0.00 0.00 67 T 8.14 3.87 4.44 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 0.00 0.00 0.00 1.31 0.00 0.00 68 V 7.89 3.60 2.22 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 1.17 0.00 0.00 0.90 0.00 0.00 69 L 8.20 4.24 0.00 1.81 1.91 0.90 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 70 T 8.46 3.92 4.30 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 1.24 0.00 0.00 71 A 7.90 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.26 3.68 0.00 1.61 1.63 0.34 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.73 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.70 3.96 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 75 I 7.66 3.72 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.81 0.00 0.00 76 L 7.68 3.93 0.00 1.20 1.57 0.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.75 3.90 0.00 1.85 1.80 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 7.98 3.94 0.00 1.77 1.79 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.17 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.62 1.75 7.81 79 K 8.36 2.00 0.00 1.12 0.74 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.49 1.05 7.81 80 G 7.58 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 81 H 7.44 4.55 0.00 3.18 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.25 5.36 0.00 3.31 3.43 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.27 3.96 0.00 2.05 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 2.43 2.43 0.00 84 A 7.88 4.04 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 85 E 8.12 4.09 0.00 2.22 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 2.38 2.45 0.00 86 L 8.33 4.18 0.00 1.74 1.70 0.97 0.93 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 87 K 8.22 3.87 0.00 1.99 1.97 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 88 P 0.00 4.33 0.00 2.34 2.32 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 89 L 7.50 3.94 0.00 1.88 1.81 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.20 1.39 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 91 Q 8.17 3.96 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 92 S 8.08 4.08 0.00 4.01 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 93 H 9.13 4.22 0.00 3.59 3.69 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.02 2.72 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.73 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 1.16 0.00 0.00 96 K 7.53 4.19 0.00 1.57 1.65 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.32 7.81 97 H 8.05 4.30 0.00 2.94 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.39 3.02 0.00 1.75 1.73 0.00 1.63 0.00 0.00 1.11 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 1.25 7.81 99 I 7.62 4.21 2.12 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 1.30 0.93 1.20 0.00 0.00 100 P 0.00 4.39 0.00 1.74 1.78 0.00 2.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.88 0.00 101 I 8.40 3.77 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.89 0.85 0.00 0.00 102 K 8.07 3.76 0.00 1.64 1.40 0.00 1.47 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.43 7.81 103 Y 7.99 4.25 0.00 3.26 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.94 4.25 0.00 1.83 1.82 0.65 1.19 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 0.00 105 E 8.39 4.01 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 106 F 7.94 4.99 0.00 3.17 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.17 3.91 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 1.10 0.00 0.00 108 S 8.09 4.23 0.00 4.22 4.01 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 0.00 0.00 0.00 109 E 8.57 4.08 0.00 2.35 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 0.00 2.44 2.50 0.00 110 A 8.24 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.07 3.68 2.19 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 1.61 0.84 1.05 0.00 0.00 112 I 8.01 3.86 2.15 0.00 0.00 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 1.75 1.04 1.19 0.00 0.00 113 H 8.43 4.11 0.00 3.25 3.53 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.19 3.55 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 1.00 0.00 0.00 0.99 0.00 0.00 115 L 8.01 3.75 0.00 0.94 0.32 0.58 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.16 4.45 0.00 3.41 3.55 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.14 0.00 3.84 4.01 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 0.00 0.00 0.00 118 R 7.99 4.14 0.00 1.60 1.57 0.00 2.89 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 119 H 8.44 5.03 0.00 3.23 3.19 0.00 5.82 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 0.00 120 P 0.00 4.30 0.00 2.18 2.28 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 121 G 8.16 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 5.04 0.00 2.71 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 0.00 123 F 7.88 4.97 0.00 2.88 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.79 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 0.00 125 A 8.49 3.89 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 0.00 126 D 7.99 4.19 0.00 2.65 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 0.00 127 A 7.74 3.97 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 0.00 128 Q 7.99 3.07 0.00 1.38 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.33 1.97 0.00 129 G 8.17 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.83 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 0.00 131 M 8.43 4.03 0.00 2.42 2.46 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 2.79 2.92 0.00 132 N 8.57 4.36 0.00 2.90 2.87 0.00 0.00 7.07 7.44 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 0.00 133 K 8.38 3.89 0.00 1.77 1.70 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.50 7.81 134 A 7.99 3.95 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 0.00 135 L 8.31 4.19 0.00 1.79 1.86 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.49 3.97 0.00 2.09 2.23 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 2.31 2.32 0.00 137 L 8.30 4.00 0.00 1.85 1.98 0.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.44 4.14 0.00 3.13 3.28 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 0.00 139 R 8.34 3.41 0.00 1.93 1.83 0.00 3.19 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.99 0.00 140 K 8.03 3.80 0.00 1.79 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 D 7.99 4.31 0.00 2.78 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 0.00 142 I 7.40 3.34 1.37 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.12 -0.12 0.00 0.00 143 A 7.76 3.74 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 0.00 144 A 7.99 3.96 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 0.00 145 K 8.09 4.02 0.00 1.93 1.91 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 146 Y 8.39 4.53 0.00 3.19 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 0.00 147 K 8.13 4.05 0.00 2.03 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 148 E 7.98 4.06 0.00 2.13 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 2.37 2.58 0.00 149 L 7.54 4.53 0.00 1.78 1.73 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.26 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.92 4.66 0.00 2.73 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 0.00 152 Q 8.11 3.83 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.26 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 153 G 6.57 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00