NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4219 8.3049 118.1871 54.8050 32.5760 175.1068 2 M 3.8041 8.1738 120.1534 53.7646 32.5032 174.2637 3 Q 4.5118 7.7433 118.8825 54.1285 32.8527 173.8587 4 I 4.0153 8.3957 119.5604 61.2468 38.5011 176.5081 5 S 4.5630 8.8920 122.5641 57.4055 65.6284 175.6524 6 S 4.0616 8.3792 117.3273 61.6380 62.4158 176.3710 7 N 4.3570 8.2030 119.4542 56.6494 38.7397 176.9475 8 G 3.6027 8.1829 107.1251 47.7997 0.0000 175.7517 9 I 3.6464 7.9931 122.4546 64.3554 37.1491 178.5476 10 T 3.8410 8.0770 116.7431 66.9060 68.3491 176.9125 11 R 3.9513 8.1568 119.9242 59.0447 29.9531 178.9570 12 L 3.9564 8.0593 120.2406 58.0398 42.0145 179.0597 13 K 3.9037 8.3933 118.9327 59.4455 31.7365 179.1604 14 R 3.8783 7.7951 117.9399 59.5973 30.0770 178.1850 15 E 4.1514 8.0769 117.1385 59.3801 29.5585 178.7126 16 E 4.2479 8.4703 117.9581 56.0497 30.2134 177.8510 17 G 4.0666 8.1759 105.1488 45.8140 0.0000 172.1015 18 E 4.8539 8.4115 121.7037 53.9710 32.2537 175.2098 19 R 4.6206 8.8450 124.0069 54.6847 33.0901 175.8752 20 L 4.5850 8.7913 123.0487 54.8253 43.1769 176.0612 21 K 5.1171 7.8427 118.2649 53.9595 34.4617 176.0414 22 A 4.5895 8.6984 126.7448 52.8195 19.1664 176.0882 23 Y 4.9255 8.7473 117.9029 55.9142 42.4879 173.6673 24 S 5.0661 8.5861 115.9273 56.7157 64.6067 174.6743 25 D 4.8618 8.6505 125.3678 52.6200 40.1767 177.1320 26 S 4.2418 8.6012 112.8557 60.6759 62.9641 175.1529 27 R 4.1915 7.9874 118.5275 56.1499 30.5081 176.9649 28 G 4.0771 8.2163 105.7368 44.8868 0.0000 173.2982 29 I 4.1488 8.3463 122.0550 59.4308 38.4381 173.7710 30 P 4.6272 0.0000 0.0000 63.2687 31.8129 175.9340 31 T 4.8279 8.6080 119.9921 62.2290 73.4415 172.5762 32 I 4.8301 8.7579 123.0840 59.7532 42.4015 176.5161 33 G 3.8500 9.6636 114.7487 47.2369 0.0000 176.5602 34 V 4.6525 8.3728 117.7567 61.0425 30.4208 174.7491 35 G 3.9989 8.5669 108.5492 45.8497 0.0000 170.2989 36 H 4.5952 8.4504 120.9407 55.5479 29.9539 174.3622 37 T 5.0016 7.9717 116.2074 59.2231 72.0994 173.6085 38 G 3.7441 7.9358 109.0829 45.8748 0.0000 173.8293 39 K 4.7348 8.7237 124.7928 56.3070 33.6047 176.7315 40 V 4.2605 8.5380 121.6560 62.2456 33.5780 175.3972 41 D 4.1614 10.0162 126.6017 55.3883 38.2740 174.7212 42 G 3.9921 8.7376 105.2230 45.3370 0.0000 173.6682 43 N 5.1026 7.8874 116.7189 50.8638 41.6757 174.0393 44 S 4.5605 8.4369 117.3587 58.1890 63.7639 174.4027 45 V 3.7291 7.4513 124.7200 63.9338 31.7619 175.0070 46 A 4.5917 8.5052 126.7738 50.5836 22.7339 175.2614 47 S 4.1469 8.7107 113.9452 60.3486 62.5708 174.6946 48 G 4.0553 9.0056 115.6609 45.3349 0.0000 173.2369 49 M 4.4083 8.2278 121.1781 55.7044 33.1742 175.2794 50 T 5.3609 8.4970 115.2053 60.0207 72.1564 172.6135 51 I 4.8820 8.5288 115.9829 59.5471 41.4220 174.6066 52 T 4.3347 8.3177 112.5186 60.4046 70.3451 175.6989 53 A 3.9533 8.4301 123.2428 55.0409 18.1900 179.3604 54 E 3.8261 8.1535 117.4704 59.2991 29.7361 178.7363 55 K 3.8383 7.9826 119.5122 59.6604 32.2702 178.3575 56 S 4.0864 8.2435 113.4840 61.8162 62.1302 176.4866 57 S 4.1135 8.3520 117.8094 61.6060 62.6769 176.5651 58 E 3.9531 8.4511 121.5448 59.2191 29.0950 179.3377 59 L 3.9562 8.5036 119.4733 57.6409 41.6886 179.3321 60 L 3.9163 8.0454 120.2586 58.1051 41.8170 179.0385 61 K 3.8749 8.0274 117.6040 59.4746 32.2497 178.6325 62 E 4.1005 8.1049 119.0598 59.4010 29.4336 178.5973 63 D 4.6572 8.3504 117.9175 56.8357 41.1072 177.8058 64 L 3.9722 7.9006 118.1358 55.1962 41.6245 178.3379 65 Q 3.9534 8.0366 121.8119 58.9763 28.9857 178.2726 66 W 4.2606 8.1461 117.3180 59.3433 28.1728 178.5141 67 V 3.0003 6.4871 118.5462 65.7149 30.9989 177.6115 68 E 3.9319 8.0836 118.4576 59.6607 29.2211 179.2474 69 D 4.3961 8.4457 118.7921 57.1343 40.8898 178.6535 70 A 4.1730 8.0097 122.7017 54.6750 18.4398 179.7472 71 I 3.7018 7.8355 118.3510 64.6550 36.9744 178.5704 72 S 4.1955 8.0862 112.9076 61.4220 62.1237 175.9429 73 S 4.3942 8.5555 116.7850 60.2723 62.8628 175.6828 74 L 4.5694 8.0222 120.8232 53.9431 42.9931 176.6923 75 V 4.3086 7.5558 118.9275 61.8834 32.1122 175.6356 76 R 4.5559 9.5159 125.4956 56.0288 30.8464 176.0889 77 V 4.6450 7.3017 110.2395 58.3715 35.2257 173.5464 78 P 4.5499 0.0000 0.0000 62.6293 31.8107 176.1810 79 L 5.0000 8.2511 121.0659 52.4794 44.7402 177.0730 80 N 4.6520 9.0616 121.8314 52.1553 39.6722 176.2115 81 Q 3.9204 8.3632 120.4572 59.2316 29.1032 177.5838 82 N 4.3119 8.0158 117.1159 56.3052 38.5728 177.0658 83 Q 3.5688 7.7981 118.8509 58.9996 28.7010 178.1436 84 Y 3.9296 8.2279 120.5272 60.9859 38.9326 177.9917 85 D 4.3864 8.6607 119.8589 57.2698 40.9086 178.7422 86 A 4.1152 8.2480 121.3064 55.4678 18.3692 179.4943 87 M 4.0191 8.5170 117.4790 58.8251 31.9460 178.7175 88 C 3.7597 8.0783 116.9670 62.7521 28.1076 176.2168 89 S 4.0500 7.8961 114.1355 61.1255 61.9145 175.8813 90 L 3.9213 7.9449 122.9529 58.3708 41.7599 179.1275 91 I 3.4681 7.6278 119.8916 64.1470 36.7249 178.0433 92 F 4.0170 8.0169 120.7967 61.4533 39.1070 176.4902 93 N 4.4278 7.8343 116.2853 56.4548 39.0451 176.6383 94 I 3.9128 7.9030 113.9350 60.9452 38.5029 177.0530 95 G 4.0825 7.9353 106.1020 45.3692 0.0000 174.3882 96 K 4.1179 8.6046 119.8227 59.5619 32.2187 179.0649 97 S 4.0514 8.0002 112.5954 61.3015 62.2052 175.6844 98 A 4.0403 7.8512 121.6915 55.2099 18.4320 178.8679 99 F 4.0777 8.1573 118.8974 61.3358 39.2043 177.1306 100 A 3.8799 8.2876 119.9328 54.4668 18.1911 178.8216 101 G 3.9348 7.5366 101.1975 44.0576 0.0000 174.5557 102 S 4.8190 7.2420 116.9422 57.7888 65.6813 175.3526 103 T 3.8969 8.4800 119.6171 66.5099 68.1374 176.9259 104 V 3.6137 8.0057 119.9638 66.0555 31.4016 177.5967 105 L 3.7927 7.6712 119.5933 58.1065 41.7561 178.7253 106 R 3.8118 7.6942 118.2696 59.7407 30.0082 178.5080 107 Q 3.9632 8.3980 118.0526 58.6039 28.5868 178.2408 108 L 3.7694 8.0843 121.5847 58.4070 41.9876 178.8461 109 N 4.4140 8.1453 114.0016 55.1382 38.5573 176.3404 110 L 4.2970 7.2787 119.0321 53.8254 42.0900 176.5469 111 K 3.5396 7.7864 117.5936 58.0057 30.1723 177.3338 112 N 4.8033 7.6324 117.8557 52.3183 36.1006 174.6478 113 Y 4.2421 8.0547 122.2012 60.9153 38.5318 177.2810 114 Q 4.0650 8.3263 119.9194 59.2180 29.2912 177.9941 115 A 3.9918 8.0978 121.1494 54.9065 18.2249 179.2757 116 A 3.9393 8.0555 118.4506 55.2298 18.9142 179.3269 117 A 3.4256 7.9719 119.2467 55.3937 18.4537 179.6372 118 D 4.3550 8.3636 117.2222 57.3855 40.9756 178.6262 119 A 4.2433 8.1637 120.4394 54.0496 18.3512 179.2581 120 F 4.1734 8.3421 116.7720 60.7827 38.7917 177.3352 121 L 4.3114 8.0056 116.7363 56.7816 41.4721 178.9174 122 L 4.0271 7.8036 118.4711 56.0954 42.8210 177.7308 123 W 4.4797 7.8607 121.5782 55.3468 27.7142 176.0529 124 K 4.5219 7.5839 117.4196 56.4561 34.6069 176.8056 125 K 4.7284 7.9009 120.2816 55.5353 33.3694 175.5246 126 A 4.6415 8.6316 127.2049 51.8944 23.1989 176.0189 127 G 3.7315 8.3944 111.8566 47.3240 0.0000 174.1775 128 K 4.3257 8.7500 124.1742 55.7955 32.2654 175.2368 129 D 4.8468 7.9631 120.6224 51.6523 42.1532 174.9611 130 P 4.5249 0.0000 0.0000 64.5136 31.7701 176.4880 131 D 4.9104 8.6282 117.5193 52.9241 40.3674 177.2030 132 I 3.6575 7.9609 121.1495 63.9270 38.2062 176.3940 133 L 4.4676 8.2032 119.0375 54.8830 42.2346 178.1104 134 L 3.9951 8.2393 122.2175 57.7870 41.9237 176.9867 135 P 4.2562 0.0000 0.0000 65.4998 31.2289 178.4373 136 R 3.9261 8.0190 116.9706 59.6621 30.0067 178.5700 137 R 4.1113 8.3152 117.8891 59.4428 30.0207 179.3048 138 R 3.9640 8.4424 118.2048 59.3179 30.0592 179.3616 139 R 3.9520 8.1140 117.9374 59.2313 29.9646 179.0005 140 E 4.0040 8.5473 118.7106 59.2933 29.4844 179.2462 141 R 3.2400 8.2424 118.9231 59.2029 29.8666 178.4074 142 A 3.9742 7.8704 119.4127 54.9616 18.6571 178.9826 143 L 4.0229 8.0047 118.8364 58.3258 41.9687 178.8091 144 F 3.9806 8.1506 119.5021 61.2921 39.3682 176.4334 145 L 4.3809 7.8322 115.3355 55.7200 41.8139 177.6293 146 S 4.4112 7.7430 120.5081 58.7725 62.9158 173.6482 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.42 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 2 M 8.17 3.80 0.00 1.14 1.67 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 3 Q 7.74 4.51 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 4 I 8.40 4.02 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.88 0.00 0.00 5 S 8.89 4.56 0.00 4.06 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 6 S 8.38 4.06 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.20 4.36 0.00 2.81 2.80 0.00 0.00 7.09 7.90 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 8 G 8.18 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 9 I 7.99 3.65 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.86 0.00 0.00 10 T 8.08 3.84 4.36 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 1.20 0.00 0.00 11 R 8.16 3.95 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 12 L 8.06 3.96 0.00 1.76 1.71 0.93 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.39 3.90 0.00 1.97 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.56 7.81 14 R 7.80 3.88 0.00 1.82 2.19 0.00 3.44 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 1.65 1.83 0.00 15 E 8.08 4.15 0.00 2.18 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 2.60 2.54 0.00 16 E 8.47 4.25 0.00 2.07 2.15 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 2.56 2.68 0.00 17 G 8.18 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 18 E 8.41 4.85 0.00 1.91 1.81 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 2.19 2.31 0.00 19 R 8.85 4.62 0.00 1.93 1.75 0.00 3.16 0.00 0.00 2.88 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 0.00 20 L 8.79 4.59 0.00 1.61 1.91 0.96 1.08 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 21 K 7.84 5.12 0.00 1.65 1.74 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 22 A 8.70 4.59 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 23 Y 8.75 4.93 0.00 3.08 3.01 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 24 S 8.59 5.07 0.00 3.80 3.83 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 25 D 8.65 4.86 0.00 2.91 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 26 S 8.60 4.24 0.00 4.03 4.09 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 27 R 7.99 4.19 0.00 1.91 2.00 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 28 G 8.22 4.08 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 29 I 8.35 4.15 1.96 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 1.18 0.55 0.84 0.00 0.00 30 P 0.00 4.63 0.00 1.93 1.93 0.00 3.57 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 1.98 2.08 0.00 31 T 8.61 4.83 3.06 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 1.22 0.00 0.00 32 I 8.76 4.83 1.91 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 1.24 1.36 0.98 0.00 0.00 33 G 9.66 3.85 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 0.00 0.00 0.00 34 V 8.37 4.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 35 G 8.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.60 0.00 3.32 3.43 0.00 5.72 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 37 T 7.97 5.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 38 G 7.94 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.72 4.73 0.00 1.68 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.44 7.81 40 V 8.54 4.26 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 1.00 0.00 0.00 0.97 0.00 0.00 41 D 10.02 4.16 0.00 2.85 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 42 G 8.74 3.99 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 0.00 0.00 0.00 43 N 7.89 5.10 0.00 2.89 2.69 0.00 0.00 6.99 7.70 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 44 S 8.44 4.56 0.00 3.75 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 45 V 7.45 3.73 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 0.64 0.00 0.00 1.03 0.00 0.00 46 A 8.51 4.59 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 47 S 8.71 4.15 0.00 3.85 3.83 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 48 G 9.01 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 49 M 8.23 4.41 0.00 2.19 1.96 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 2.61 2.51 0.00 50 T 8.50 5.36 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 1.23 0.00 0.00 51 I 8.53 4.88 1.88 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 1.44 0.74 0.93 0.00 0.00 52 T 8.32 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 A 8.43 3.95 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 54 E 8.15 3.83 0.00 2.04 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 2.37 2.36 0.00 55 K 7.98 3.84 0.00 1.92 1.96 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 56 S 8.24 4.09 0.00 3.93 4.08 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 57 S 8.35 4.11 0.00 4.01 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 58 E 8.45 3.95 0.00 2.10 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 2.31 2.47 0.00 59 L 8.50 3.96 0.00 1.74 1.58 0.80 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.05 3.92 0.00 1.78 1.75 0.46 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.03 3.87 0.00 1.87 1.84 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.57 7.81 62 E 8.10 4.10 0.00 2.13 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 2.34 2.45 0.00 63 D 8.35 4.66 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 64 L 7.90 3.97 0.00 1.79 1.49 0.72 0.21 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 65 Q 8.04 3.95 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 66 W 8.15 4.26 0.00 3.63 3.33 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 67 V 6.49 3.00 1.66 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 0.66 0.00 0.00 -0.75 0.00 0.00 68 E 8.08 3.93 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 2.44 2.43 0.00 69 D 8.45 4.40 0.00 3.00 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 70 A 8.01 4.17 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 71 I 7.84 3.70 1.93 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.94 0.00 0.00 72 S 8.09 4.20 0.00 4.04 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 73 S 8.56 4.39 0.00 4.13 4.15 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 74 L 8.02 4.57 0.00 1.94 1.77 1.06 0.67 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 75 V 7.56 4.31 2.35 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 0.94 0.00 0.00 1.15 0.00 0.00 76 R 9.52 4.56 0.00 1.89 1.95 0.00 3.16 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 77 V 7.30 4.64 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 0.75 0.00 0.00 0.95 0.00 0.00 78 P 0.00 4.55 0.00 2.10 2.02 0.00 3.81 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 2.10 2.16 0.00 79 L 8.25 5.00 0.00 1.76 1.67 1.10 1.30 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 80 N 9.06 4.65 0.00 2.85 2.86 0.00 0.00 6.33 7.99 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 81 Q 8.36 3.92 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 82 N 8.02 4.31 0.00 2.67 3.04 0.00 0.00 7.14 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 83 Q 7.80 3.57 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 84 Y 8.23 3.93 0.00 3.09 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 85 D 8.66 4.39 0.00 2.93 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 86 A 8.25 4.12 1.61 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 87 M 8.52 4.02 0.00 1.82 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.21 2.77 0.00 88 C 8.08 3.76 0.00 2.99 2.78 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 89 S 7.90 4.05 0.00 3.92 4.08 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 90 L 7.94 3.92 0.00 1.63 1.48 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.63 3.47 1.49 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.19 0.70 0.00 0.00 92 F 8.02 4.02 0.00 2.85 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.83 4.43 0.00 2.79 3.02 0.00 0.00 7.26 7.84 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 94 I 7.90 3.91 1.26 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.36 0.69 0.00 0.00 95 G 7.94 4.08 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 96 K 8.60 4.12 0.00 2.03 1.81 0.00 1.90 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.69 7.81 97 S 8.00 4.05 0.00 3.90 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 98 A 7.85 4.04 1.05 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 0.00 0.00 99 F 8.16 4.08 0.00 2.86 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 0.00 100 A 8.29 3.88 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 G 7.54 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.24 4.82 0.00 4.43 4.31 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 0.00 103 T 8.48 3.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 104 V 8.01 3.61 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 1.12 0.00 0.00 0.97 0.00 0.00 105 L 7.67 3.79 0.00 1.14 1.42 0.63 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.69 3.81 0.00 1.87 1.89 0.00 3.29 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 107 Q 8.40 3.96 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 108 L 8.08 3.77 0.00 2.02 1.87 1.08 1.00 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 0.00 109 N 8.15 4.41 0.00 2.78 2.84 0.00 0.00 7.12 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 0.00 110 L 7.28 4.30 0.00 1.71 1.68 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.79 3.54 0.00 1.93 2.04 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.41 7.81 112 N 7.63 4.80 0.00 2.89 2.78 0.00 0.00 7.08 6.79 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 0.00 113 Y 8.05 4.24 0.00 3.09 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.33 4.06 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 115 A 8.10 3.99 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 0.00 116 A 8.06 3.94 1.44 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 0.00 0.00 0.00 117 A 7.97 3.43 1.21 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 0.00 0.00 118 D 8.36 4.36 0.00 2.86 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 0.00 119 A 8.16 4.24 1.48 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 0.00 120 F 8.34 4.17 0.00 3.22 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 0.00 121 L 8.01 4.31 0.00 1.74 1.77 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.80 4.03 0.00 1.43 1.33 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 W 7.86 4.48 0.00 3.46 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.58 4.52 0.00 1.93 2.15 0.00 1.49 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.54 7.81 125 K 7.90 4.73 0.00 1.81 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.58 7.81 126 A 8.63 4.64 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 0.00 127 G 8.39 3.73 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 0.00 0.00 0.00 128 K 8.75 4.33 0.00 1.76 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.36 7.81 129 D 7.96 4.85 0.00 2.67 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 0.00 130 P 0.00 4.52 0.00 2.21 2.15 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 131 D 8.63 4.91 0.00 2.81 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 0.00 132 I 7.96 3.66 1.89 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 1.44 0.84 0.99 0.00 0.00 133 L 8.20 4.47 0.00 2.03 1.76 1.01 0.72 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 0.00 134 L 8.24 4.00 0.00 1.81 1.79 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.26 0.00 2.23 2.11 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 136 R 8.02 3.93 0.00 1.93 2.17 0.00 3.25 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 137 R 8.32 4.11 0.00 2.11 2.22 0.00 3.73 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 138 R 8.44 3.96 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 139 R 8.11 3.95 0.00 2.14 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 140 E 8.55 4.00 0.00 2.35 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 2.45 2.54 0.00 141 R 8.24 3.24 0.00 1.70 2.04 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 142 A 7.87 3.97 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 0.00 143 L 8.00 4.02 0.00 1.79 1.87 0.92 0.77 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 0.00 144 F 8.15 3.98 0.00 2.83 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 0.00 145 L 7.83 4.38 0.00 1.72 1.74 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.74 4.41 0.00 4.03 3.76 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