NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3968 8.1476 120.3400 54.8172 32.8464 176.8703 2 K 3.5684 8.8572 113.8771 59.2131 32.4181 176.3768 3 G 3.9088 7.5023 107.4293 44.8229 0.0000 174.1101 4 D 4.4105 8.5564 122.4923 53.3488 42.3515 176.6341 5 K 3.8139 8.7511 128.0961 59.9653 32.2894 178.8151 6 K 4.1209 7.9860 117.9488 59.0487 31.9835 179.3154 7 V 3.6203 7.6067 117.3347 66.2886 31.3968 177.9751 8 I 3.7409 7.9121 119.4446 64.5951 36.9141 178.4300 9 Q 3.9437 8.0431 118.6319 59.2116 28.4912 178.4194 10 H 4.0993 8.1437 117.0535 58.9169 28.7657 177.5273 11 L 3.9860 8.4340 120.8254 58.2724 41.4827 179.4309 12 N 4.3107 8.4128 116.2709 56.1723 38.3725 177.4537 13 K 3.9067 8.0180 120.9559 59.5030 32.2974 178.8572 14 I 3.6725 7.9307 120.2380 64.4419 37.0076 177.8892 15 L 4.0170 8.6391 121.5254 58.3078 41.7600 179.3551 16 G 3.5713 8.2301 105.5373 47.9957 0.0000 175.4789 17 N 4.3914 8.3402 119.2611 55.9815 38.1606 177.4601 18 E 3.9976 8.3481 120.2444 59.2497 29.2190 179.2495 19 L 3.9652 8.1410 119.2637 57.6795 41.6152 179.6463 20 I 3.6338 7.5856 119.0397 64.4070 37.1259 178.1044 21 A 3.3409 7.6430 121.2089 55.1056 18.0139 179.4722 22 I 3.5877 7.6569 117.9857 64.8554 37.1574 178.4042 23 N 4.3475 7.7773 116.5610 56.2307 38.3282 177.3748 24 Q 3.8446 8.3438 121.2893 59.5718 29.2009 178.0315 25 Y 4.6721 7.8127 119.0666 60.4667 37.8176 178.4264 26 F 3.9241 8.5073 121.7404 61.1476 39.5849 176.8614 27 L 4.0052 8.3371 120.2492 58.6568 41.8754 178.6916 28 H 3.8805 8.4039 116.2289 58.6577 28.5019 177.3430 29 S 4.3439 8.5345 115.3722 62.0277 62.1818 176.7315 30 R 3.7987 7.8102 120.2622 59.3818 29.6964 179.0989 31 M 3.5409 7.9060 118.6847 57.8214 31.7708 178.8239 32 W 4.4214 7.8569 119.1878 59.6549 29.2425 178.4215 33 N 4.3896 8.4621 116.8056 56.3821 37.7626 176.9005 34 D 4.3526 7.8582 118.3526 56.9538 41.3613 177.6902 35 W 4.8337 7.6723 116.8855 57.1419 29.1182 177.2574 36 G 3.9989 8.3304 107.9652 45.7827 0.0000 174.0120 37 L 4.8248 7.8813 122.2340 53.4282 40.2629 177.5172 38 K 4.1219 8.5615 121.4149 58.5560 32.3849 178.7536 39 R 3.9923 8.0061 119.5717 58.9177 30.0183 178.3694 40 L 3.7966 7.6925 118.6227 57.3840 41.6481 179.2504 41 G 3.8035 8.1473 105.4980 48.1031 0.0000 175.5972 42 A 4.0446 8.0965 123.5946 54.8663 18.3653 179.2619 43 H 4.1155 8.1306 116.6868 59.3143 29.5335 177.1142 44 E 4.0473 8.3626 121.0788 58.8909 29.4292 178.0622 45 Y 4.0097 7.9619 119.8289 61.0283 38.7735 177.7577 46 H 4.0145 8.0420 116.6255 58.5631 28.7446 177.6238 47 E 3.7918 7.9876 120.5586 59.4608 29.3058 178.8726 48 S 4.1893 8.2822 113.1286 61.8286 62.4646 176.0518 49 I 3.5797 7.6569 122.0454 64.6124 37.0185 177.8465 50 D 4.2727 8.3027 119.7325 57.7670 40.7088 179.1203 51 E 4.2492 8.0410 119.8689 59.0521 29.3900 179.2484 52 M 4.0347 8.1162 118.8870 58.3651 31.9687 178.9512 53 K 4.0237 7.8788 118.5349 59.5964 32.2370 179.1503 54 H 4.2954 8.0573 116.1028 58.6530 28.6044 177.6968 55 A 3.9906 8.1902 122.7194 55.1264 18.2541 179.1038 56 D 4.2435 8.0349 116.5107 57.6161 41.1957 178.6014 57 K 3.9805 8.1581 118.8422 59.5744 32.0616 179.2883 58 L 4.0807 8.0657 119.1780 57.5304 41.5190 179.5275 59 I 3.8148 7.6974 119.9936 64.3163 36.9849 178.2634 60 E 4.0186 8.2288 119.5513 59.1498 29.1580 179.4429 61 R 4.0009 7.8068 118.9062 59.5289 30.2234 178.6196 62 I 3.7161 7.7010 119.4271 64.4784 37.1122 178.4114 63 L 3.9960 8.1259 119.8220 57.8326 41.2183 179.3601 64 F 4.3180 8.3012 119.8371 61.0423 39.4823 176.1540 65 L 3.9704 7.9751 117.0689 53.7790 41.1243 176.9062 66 E 3.8840 7.8001 116.7433 57.2893 27.4656 174.9233 67 G 3.8998 7.8927 108.0799 44.2879 0.0000 173.6196 68 L 4.5694 7.9978 118.9318 52.0113 42.5791 175.2766 69 P 4.3842 0.0000 0.0000 62.4093 31.8409 175.9139 70 N 4.7303 9.1421 121.7713 52.3421 38.9152 173.7977 71 L 4.5397 8.2724 124.1740 54.5538 42.2575 177.6667 72 Q 4.0591 8.6397 122.4254 58.2893 29.2548 175.8842 73 D 4.5516 8.0831 117.7383 52.9866 41.4328 175.5662 74 L 4.4501 8.2631 126.5103 52.5833 42.8317 175.9851 75 G 3.8401 8.3244 115.6968 44.8715 0.0000 170.6412 76 K 4.0853 8.3316 120.5761 55.8787 32.5054 176.8476 77 L 4.1799 8.3854 126.5993 54.6424 42.2602 177.2274 78 L 4.4970 8.7037 123.9023 53.1878 40.9315 174.5692 79 I 4.2838 7.9381 122.9142 59.6413 38.1445 176.6302 80 G 3.9553 8.6383 114.6008 45.2230 0.0000 172.7706 81 E 4.5757 8.3824 116.8213 56.5422 30.7077 176.1322 82 N 5.0382 7.6601 115.6466 50.3300 41.9328 174.8341 83 T 4.4644 8.7118 116.3638 67.3975 68.4526 176.3461 84 Q 3.9924 8.1104 120.5429 59.3383 29.2069 177.9269 85 E 4.1062 8.3489 119.4175 59.1889 29.4807 179.2523 86 M 3.8873 8.2452 119.0341 58.3846 32.0686 178.4045 87 L 4.1703 8.1180 119.1204 58.2463 41.7749 179.6164 88 Q 4.0122 8.1595 119.1406 59.3554 29.0788 177.9616 89 C 4.2047 8.6904 118.2191 62.9720 28.1866 175.7962 90 D 4.6777 8.4538 120.5038 57.3067 40.4004 178.5930 91 L 3.9848 8.0278 120.7655 58.4372 42.0263 178.9241 92 N 4.4414 8.5147 116.6321 56.0291 38.3882 177.2529 93 L 4.0497 8.0254 121.9431 58.0756 42.2116 178.8239 94 E 4.1137 8.4237 118.6912 59.4196 29.5235 179.3179 95 L 4.1196 8.0396 119.1603 57.4038 41.7162 179.5941 96 K 3.8984 8.0007 119.3435 59.3951 32.3822 178.4094 97 A 4.0145 8.5016 121.4583 55.8344 18.3094 179.6965 98 T 3.8243 8.4920 114.0864 66.5868 68.5354 176.5473 99 K 3.8704 7.9213 121.1475 59.9211 32.2304 178.4785 100 D 4.3917 8.0342 118.6795 57.1376 40.6952 178.4697 101 L 3.9624 7.8652 120.5919 58.3704 42.2135 179.3701 102 R 3.9586 7.8697 117.4079 59.3502 29.8640 178.9696 103 E 4.0234 8.2079 118.1825 59.1258 29.3227 179.2254 104 A 3.6447 8.1015 121.0830 54.8010 18.4113 179.7974 105 I 3.6170 7.8568 118.5064 64.4334 37.3027 178.6014 106 V 3.5728 7.6170 118.8153 66.4245 31.4279 177.6320 107 H 4.0944 7.8562 117.9061 59.4033 29.6920 176.8871 108 C 4.0301 8.2905 118.8398 62.8707 27.7821 175.8414 109 E 3.8144 8.2605 120.8609 59.2276 29.0152 178.6815 110 Q 3.9676 7.6920 118.4755 58.2392 29.1342 177.4832 111 V 3.9499 7.0572 110.1314 60.3873 32.1067 175.2211 112 H 3.1053 7.3546 114.3753 57.3559 26.5724 176.3339 113 D 4.5697 7.7683 119.5505 53.1971 38.0947 174.9288 114 Y 4.1789 7.4449 121.7603 60.6795 38.6060 177.8068 115 V 3.6498 7.9744 118.7223 66.2370 31.6447 178.0647 116 S 4.1651 8.3403 114.6869 61.6590 62.5894 176.6408 117 R 3.9263 8.0718 121.3756 59.3651 29.7674 178.1529 118 D 4.2972 8.3876 118.0578 57.0722 41.2581 177.7979 119 L 3.9461 7.8087 120.6039 58.3984 42.0226 179.0879 120 L 4.0873 8.1453 121.2479 58.2441 41.5297 180.2434 121 K 4.0045 8.3969 124.0386 59.8314 31.7099 181.2459 122 D 4.5602 8.1938 119.9667 57.4205 40.7965 178.9165 123 I 3.5273 7.7271 120.3294 64.1447 37.0120 178.2507 124 L 3.9584 8.1472 121.5631 58.0657 41.9691 178.6430 125 E 3.9291 8.2414 119.2955 59.4021 29.6450 178.7561 126 S 4.1576 7.9944 112.7151 61.4907 62.4803 176.0115 127 E 4.2504 8.3908 121.2565 59.2472 29.1435 178.9969 128 E 4.1566 8.2234 118.7202 58.9721 29.5081 178.9927 129 E 4.0594 8.2384 119.0247 59.4957 29.4277 178.7069 130 H 4.3571 8.2518 118.3948 59.1592 29.8279 177.4007 131 I 3.6856 7.8766 121.7364 64.4210 37.1179 177.6828 132 D 4.3426 8.2739 118.8545 57.5504 41.1324 177.6647 133 Y 4.0301 8.2714 119.8622 60.7255 38.8192 178.0533 134 L 3.8729 8.1756 119.8766 58.0553 41.7150 179.5438 135 E 3.9573 8.4800 118.6795 59.5423 29.3182 179.5605 136 T 3.7810 7.6832 115.5403 66.6755 68.5313 176.7328 137 Q 3.8036 7.5676 119.4627 58.7774 28.2430 178.6391 138 L 3.8899 7.7147 120.1593 57.7871 41.5289 179.9310 139 G 3.5603 8.2497 105.8078 47.6542 0.0000 175.7258 140 L 4.1203 8.1953 121.2954 57.1548 41.6949 179.5904 141 I 3.6553 7.2797 120.2335 64.2446 36.8240 178.2056 142 Q 3.9855 7.4477 117.2943 58.8714 28.5831 178.6715 143 K 4.2124 7.6123 118.1759 58.0519 32.4525 178.6481 144 V 4.2919 8.0140 109.6067 59.6612 33.5732 176.5196 145 G 4.0186 7.7795 106.6313 45.7655 0.0000 174.3113 146 L 3.9837 8.6065 123.4204 58.3228 42.0192 179.4882 147 E 4.0504 8.1308 117.8719 59.3687 29.6170 178.8960 148 N 4.3662 8.1108 116.2368 56.3460 38.4705 176.7132 149 Y 3.9870 7.9395 120.0789 60.7124 39.2121 177.7199 150 L 4.1302 8.1704 120.0334 57.7289 41.5732 179.2303 151 Q 3.9478 8.0973 119.6742 59.0755 28.7970 177.8281 152 S 4.3459 7.5778 113.3570 59.6637 63.2059 174.3132 153 H 4.7014 7.5454 118.9719 55.7052 29.6446 176.0182 154 M 4.1773 7.8210 121.8521 57.6842 31.9138 176.5294 155 H 5.1789 7.6981 112.9854 54.2461 31.3047 174.6452 156 E 4.2507 8.5260 119.1071 56.6646 29.5821 176.3076 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 8.15 4.40 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 2 K 8.86 3.57 0.00 1.90 1.88 0.00 1.27 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.20 7.81 3 G 7.50 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 4 D 8.56 4.41 0.00 2.79 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 5 K 8.75 3.81 0.00 1.84 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.53 7.81 6 K 7.99 4.12 0.00 1.82 1.58 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 7 V 7.61 3.62 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 1.10 0.00 0.00 1.03 0.00 0.00 8 I 7.91 3.74 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 0.90 0.00 0.00 9 Q 8.04 3.94 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 10 H 8.14 4.10 0.00 3.47 3.32 0.00 5.64 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 11 L 8.43 3.99 0.00 1.79 1.75 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.41 4.31 0.00 2.96 2.87 0.00 0.00 6.75 8.87 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 13 K 8.02 3.91 0.00 1.93 1.97 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.93 3.67 2.01 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 1.67 0.70 0.92 0.00 0.00 15 L 8.64 4.02 0.00 1.71 1.82 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.23 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 0.00 0.00 0.00 17 N 8.34 4.39 0.00 2.91 2.88 0.00 0.00 7.09 7.17 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 18 E 8.35 4.00 0.00 2.11 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 2.50 2.52 0.00 19 L 8.14 3.97 0.00 1.81 1.68 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.59 3.63 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.88 0.00 0.00 21 A 7.64 3.34 1.02 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 0.00 0.00 22 I 7.66 3.59 1.97 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 1.49 0.79 0.86 0.00 0.00 23 N 7.78 4.35 0.00 2.87 2.83 0.00 0.00 6.77 7.82 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 24 Q 8.34 3.84 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 25 Y 7.81 4.67 0.00 3.07 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 26 F 8.51 3.92 0.00 3.33 3.10 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 0.00 27 L 8.34 4.01 0.00 1.82 1.83 0.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.40 3.88 0.00 3.43 2.85 0.00 5.71 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 29 S 8.53 4.34 0.00 3.94 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 30 R 7.81 3.80 0.00 2.09 1.88 0.00 2.94 0.00 0.00 2.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 31 M 7.91 3.54 0.00 0.85 1.59 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.20 0.00 32 W 7.86 4.42 0.00 3.76 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 33 N 8.46 4.39 0.00 2.87 2.83 0.00 0.00 6.61 8.14 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 34 D 7.86 4.35 0.00 2.61 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 35 W 7.67 4.83 0.00 3.71 3.14 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 36 G 8.33 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 37 L 7.88 4.82 0.00 2.13 1.62 1.35 0.85 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 38 K 8.56 4.12 0.00 2.01 1.85 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 R 8.01 3.99 0.00 1.99 1.85 0.00 3.03 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 40 L 7.69 3.80 0.00 1.25 0.16 0.36 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.15 3.80 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 0.00 0.00 0.00 42 A 8.10 4.04 1.43 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 43 H 8.13 4.12 0.00 3.32 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.36 4.05 0.00 2.47 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 0.00 2.78 2.63 0.00 45 Y 7.96 4.01 0.00 3.02 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 46 H 8.04 4.01 0.00 3.31 3.24 0.00 5.87 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 47 E 7.99 3.79 0.00 1.97 1.69 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 2.22 2.13 0.00 48 S 8.28 4.19 0.00 4.13 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 49 I 7.66 3.58 1.81 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 1.02 0.49 0.83 0.00 0.00 50 D 8.30 4.27 0.00 2.82 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 51 E 8.04 4.25 0.00 2.14 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 2.64 2.52 0.00 52 M 8.12 4.03 0.00 2.03 2.19 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 2.74 2.55 0.00 53 K 7.88 4.02 0.00 1.93 1.81 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.57 7.81 54 H 8.06 4.30 0.00 3.54 3.33 0.00 5.64 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 55 A 8.19 3.99 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 56 D 8.03 4.24 0.00 2.90 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 57 K 8.16 3.98 0.00 2.00 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.66 7.81 58 L 8.07 4.08 0.00 1.96 1.72 0.97 0.65 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 59 I 7.70 3.81 2.01 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 1.52 0.68 0.92 0.00 0.00 60 E 8.23 4.02 0.00 2.05 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 2.34 2.68 0.00 61 R 7.81 4.00 0.00 2.06 2.12 0.00 3.36 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 62 I 7.70 3.72 1.89 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 1.54 0.53 0.91 0.00 0.00 63 L 8.13 4.00 0.00 2.08 1.78 0.93 0.93 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 64 F 8.30 4.32 0.00 3.05 3.44 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 65 L 7.98 3.97 0.00 1.83 1.55 0.95 0.94 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 66 E 7.80 3.88 0.00 1.99 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 2.19 2.13 0.00 67 G 7.89 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.00 4.57 0.00 1.61 1.60 0.91 0.99 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 69 P 0.00 4.38 0.00 2.04 1.98 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.14 4.73 0.00 2.59 2.84 0.00 0.00 7.12 7.48 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 71 L 8.27 4.54 0.00 1.63 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.64 4.06 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 D 8.08 4.55 0.00 2.69 2.58 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 74 L 8.26 4.45 0.00 1.51 1.54 0.88 1.06 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 75 G 8.32 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 0.00 0.00 0.00 76 K 8.33 4.09 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.39 4.18 0.00 1.64 1.55 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.70 4.50 0.00 1.76 1.66 0.96 1.09 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 79 I 7.94 4.28 1.89 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 1.35 0.78 0.92 0.00 0.00 80 G 8.64 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.38 4.58 0.00 2.03 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 2.25 0.00 82 N 7.66 5.04 0.00 2.87 2.77 0.00 0.00 6.24 7.22 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 83 T 8.71 4.46 4.47 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 1.50 0.00 0.00 84 Q 8.11 3.99 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 85 E 8.35 4.11 0.00 2.26 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 2.35 2.36 0.00 86 M 8.25 3.89 0.00 1.35 2.11 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.95 0.00 87 L 8.12 4.17 0.00 1.91 1.78 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.16 4.01 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.69 4.20 0.00 3.25 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 90 D 8.45 4.68 0.00 3.00 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 91 L 8.03 3.98 0.00 1.94 1.92 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.51 4.44 0.00 2.92 2.89 0.00 0.00 6.72 6.81 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 93 L 8.03 4.05 0.00 2.04 1.97 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.42 4.11 0.00 2.23 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 2.72 2.52 0.00 95 L 8.04 4.12 0.00 1.74 1.74 0.94 0.63 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 96 K 8.00 3.90 0.00 1.84 2.04 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.50 4.01 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 0.00 0.00 98 T 8.49 3.82 4.62 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 99 K 7.92 3.87 0.00 1.87 2.08 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 D 8.03 4.39 0.00 2.79 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 0.00 101 L 7.87 3.96 0.00 2.11 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.87 3.96 0.00 2.12 1.97 0.00 3.19 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 1.87 0.00 103 E 8.21 4.02 0.00 2.20 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 2.35 2.34 0.00 104 A 8.10 3.64 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 0.00 105 I 7.86 3.62 1.87 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 1.41 0.79 0.92 0.00 0.00 106 V 7.62 3.57 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 0.99 0.00 0.00 0.96 0.00 0.00 107 H 7.86 4.09 0.00 3.20 3.19 0.00 5.85 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 0.00 108 C 8.29 4.03 0.00 3.11 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 0.00 109 E 8.26 3.81 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 110 Q 7.69 3.97 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 111 V 7.06 3.95 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 0.64 0.00 0.00 0.86 0.00 0.00 112 H 7.35 3.11 0.00 3.16 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.77 4.57 0.00 2.60 2.48 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 0.00 114 Y 7.44 4.18 0.00 3.09 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 0.00 115 V 7.97 3.65 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.34 4.17 0.00 4.32 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 0.00 117 R 8.07 3.93 0.00 1.90 2.16 0.00 3.23 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 118 D 8.39 4.30 0.00 3.10 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.81 3.95 0.00 1.95 1.81 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.15 4.09 0.00 1.89 1.70 0.92 0.90 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 0.00 121 K 8.40 4.00 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 122 D 8.19 4.56 0.00 2.89 2.75 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 0.00 123 I 7.73 3.53 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.04 0.76 0.00 0.00 124 L 8.15 3.96 0.00 1.83 1.87 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.24 3.93 0.00 2.20 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 2.33 2.34 0.00 126 S 7.99 4.16 0.00 4.03 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 0.00 127 E 8.39 4.25 0.00 2.19 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 0.00 2.69 2.53 0.00 128 E 8.22 4.16 0.00 2.20 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 2.58 0.00 129 E 8.24 4.06 0.00 2.25 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 2.37 2.35 0.00 130 H 8.25 4.36 0.00 3.28 3.64 0.00 5.61 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 0.00 131 I 7.88 3.69 2.07 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 1.44 0.59 0.94 0.00 0.00 132 D 8.27 4.34 0.00 2.94 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 0.00 133 Y 8.27 4.03 0.00 3.20 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 0.00 134 L 8.18 3.87 0.00 1.97 1.69 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.48 3.96 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 136 T 7.68 3.78 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 1.16 0.00 0.00 137 Q 7.57 3.80 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.56 2.04 0.00 138 L 7.71 3.89 0.00 1.78 1.63 0.83 1.02 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 0.00 139 G 8.25 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.20 4.12 0.00 1.80 1.88 1.00 0.86 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 0.00 141 I 7.28 3.66 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.28 0.80 0.00 0.00 142 Q 7.45 3.99 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 143 K 7.61 4.21 0.00 1.68 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.78 7.81 144 V 8.01 4.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.13 0.00 0.00 145 G 7.78 4.02 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 0.00 0.00 0.00 146 L 8.61 3.98 0.00 1.76 1.69 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.13 4.05 0.00 2.06 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 2.40 2.40 0.00 148 N 8.11 4.37 0.00 3.06 2.89 0.00 0.00 6.78 7.48 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 0.00 149 Y 7.94 3.99 0.00 2.97 3.14 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 0.00 150 L 8.17 4.13 0.00 1.79 1.74 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.10 3.95 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 152 S 7.58 4.35 0.00 3.81 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.55 4.70 0.00 2.95 3.03 0.00 5.81 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 0.00 154 M 7.82 4.18 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 155 H 7.70 5.18 0.00 3.08 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.53 4.25 0.00 1.93 1.83 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 2.22 2.27 0.00