NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2726 8.3344 115.2836 57.7872 64.1395 173.6663 2 L 4.2437 7.3884 123.0243 50.8907 43.0645 172.2479 3 E 4.3214 9.6612 127.9127 55.1898 33.0813 176.7457 4 A 3.9348 8.4369 120.8129 55.4048 18.3940 179.8344 5 A 3.9550 7.9004 118.6666 55.3109 18.5289 179.6935 6 Q 3.9107 7.9634 116.0987 59.0849 28.8700 179.0674 7 K 3.8515 8.0890 119.4910 59.3221 31.9618 179.3654 8 S 4.0730 8.1198 113.4742 61.3054 62.2305 175.7144 9 N 4.3082 8.2123 119.7260 56.6645 38.6416 176.9631 10 V 3.2528 7.5932 119.5410 66.1394 31.5054 178.0297 11 T 3.9371 7.8462 115.3154 66.9737 68.0396 176.8810 12 S 4.2417 8.4290 117.4300 61.5685 62.7923 176.9415 13 S 4.4770 8.6466 117.3799 61.2837 62.8488 176.3201 14 W 4.3560 9.0088 132.0824 60.2689 30.3420 177.7263 15 A 3.9927 8.2536 120.7827 55.0284 17.5120 179.8814 16 K 3.9435 7.5664 115.7377 59.5666 32.6367 179.1659 17 A 3.1719 8.0220 121.3017 54.7085 18.2509 179.5055 18 S 3.3517 7.6485 111.7245 61.3300 62.1008 176.3903 19 A 4.0363 7.4989 122.0679 54.0748 18.2520 178.4028 20 A 4.5894 7.4230 117.1538 51.8515 19.4133 178.3135 21 W 4.1870 8.0484 129.7430 60.4171 30.4118 178.1215 22 G 3.7387 8.2945 105.2009 47.6222 0.0000 174.5024 23 T 4.3097 7.6965 110.0875 63.1115 70.0604 176.6809 24 A 4.4722 8.2982 124.0052 54.4935 18.3127 179.8569 25 G 2.0000 7.1335 104.5744 47.0365 0.0000 174.3077 26 P 4.2696 0.0000 0.0000 64.9476 31.3084 178.6302 27 E 3.9384 7.5273 118.0660 58.9935 29.3780 179.0098 28 F 3.2327 7.7524 120.7836 61.0083 39.2130 177.1625 29 F 2.7200 7.4316 117.2131 60.3531 38.4349 177.6461 30 M 3.8128 7.7644 118.0221 57.9897 31.6687 178.6251 31 A 3.8418 7.6581 121.0276 54.8965 18.5289 179.4337 32 L 3.6947 7.0835 118.6994 58.3506 41.8701 179.3106 33 F 4.6697 7.6580 116.7087 60.7490 38.8501 177.1649 34 D 4.4403 8.2642 117.9612 56.9580 40.6748 178.1783 35 A 4.4115 7.7191 120.1793 53.3606 19.4810 176.8518 36 H 4.7718 8.2513 114.1523 53.1160 30.2446 173.4669 37 D 4.5688 8.6064 124.7260 56.9253 40.9660 177.2179 38 D 4.4761 8.1634 118.6176 56.0318 39.9100 178.2816 39 V 3.9258 7.9822 119.9738 65.9223 31.5549 177.7749 40 F 3.9734 8.4682 119.7933 61.0695 39.0868 176.5593 41 A 3.8429 8.3072 120.5541 55.0829 17.8988 179.1468 42 K 4.0931 7.7718 114.2926 57.7675 32.3823 178.1892 43 F 4.5287 7.7922 118.4964 57.1267 39.3208 177.0701 44 S 4.0704 7.5553 116.5192 61.5173 61.9309 176.6973 45 G 3.5276 7.8742 109.9385 48.4698 0.0000 175.2761 46 L 3.7389 7.8117 120.7987 57.6240 42.3729 177.3811 47 F 4.9017 8.1781 115.3211 56.6614 38.9216 175.9878 48 S 3.8377 8.5965 115.7623 59.7056 60.6515 173.6250 49 G 3.8667 8.2335 105.3502 45.6137 0.0000 174.7087 50 A 4.1710 7.9190 122.0058 51.6074 19.1826 177.7385 51 A 4.3358 8.2710 122.4242 51.4636 19.4505 178.8645 52 K 2.9958 8.6123 121.9018 59.3821 32.1509 178.7293 53 G 3.9139 7.8764 103.9191 46.1635 0.0000 173.6236 54 T 4.3907 7.7401 108.6663 61.3157 70.0473 175.4776 55 V 3.7575 7.2728 115.6306 62.1080 32.1114 177.9447 56 K 3.8203 8.0392 120.7422 58.9731 32.0243 176.7971 57 N 4.8724 7.9049 113.5799 53.2198 39.0370 175.4191 58 T 4.3639 7.5546 109.6259 60.6279 71.3166 173.6054 59 P 4.3204 0.0000 0.0000 65.7461 31.3593 178.8691 60 E 3.9896 8.2481 117.1811 59.5772 29.3291 178.8876 61 M 4.1015 8.2938 117.7589 58.5544 32.3312 178.1031 62 A 3.9634 7.9700 120.3370 55.0761 18.5204 179.5385 63 A 3.9897 8.0059 119.3712 55.4179 18.4967 179.8932 64 Q 3.9838 8.1619 116.4111 59.0358 28.6827 178.9122 65 A 4.5241 8.2841 122.1435 55.2698 18.5290 179.5159 66 Q 4.1420 8.3533 118.2673 59.4362 29.0232 178.6416 67 S 4.1842 8.2818 116.2811 61.4493 62.9176 176.1887 68 F 4.0220 8.5845 123.4190 61.3506 39.1463 176.9943 69 K 4.0132 8.5242 119.2409 59.5820 31.8243 178.9335 70 G 3.5229 7.9989 105.5260 47.5478 0.0000 175.5393 71 L 3.3977 7.3644 122.4770 57.6371 41.9542 179.0996 72 V 3.1290 6.8135 118.1029 65.8520 31.3172 178.1002 73 S 4.0936 7.9323 114.9025 61.5954 62.4427 176.4525 74 N 4.2513 7.3007 118.1342 56.0090 38.5758 177.0637 75 W 4.5441 7.7104 120.2493 60.0658 28.9807 178.8543 76 V 3.5616 7.7309 116.6447 65.7817 31.0053 177.0882 77 D 4.6741 7.8747 116.2911 55.3106 40.9916 176.2705 78 N 5.0980 7.9329 117.5618 52.7140 39.7714 176.5470 79 L 3.8766 8.2232 120.5562 57.4597 41.7540 177.8375 80 D 4.7068 7.9583 115.7627 54.0048 41.4088 176.3726 81 N 4.8005 7.9226 119.9610 50.5692 38.7786 174.1268 82 A 4.0830 8.3676 125.0993 54.7164 18.7921 179.3089 83 G 3.5417 8.0463 103.2820 47.9451 0.0000 175.6749 84 A 4.0503 8.6352 123.7502 54.6675 18.3321 179.5142 85 L 4.0011 7.9690 117.5799 58.0400 41.7520 179.3141 86 E 4.0108 8.7618 119.4757 59.3189 29.3944 179.0925 87 G 3.6826 7.9780 105.1389 48.0758 0.0000 175.6843 88 Q 4.1377 8.3626 120.7457 58.9349 28.6716 178.7069 89 C 4.6307 8.6629 118.0244 62.6231 28.1298 176.0349 90 K 4.0336 8.3519 121.5046 59.7406 31.7591 179.1223 91 T 3.9293 7.8419 116.0801 66.4798 68.4178 176.3394 92 F 4.3099 8.2869 121.9029 61.4515 39.3700 176.9465 93 A 3.7395 8.5604 120.3069 55.0111 18.3086 179.3802 94 A 3.9074 8.0246 119.1339 55.5254 18.2892 179.5557 95 N 4.2515 8.0103 113.5038 56.8862 38.8587 177.1272 96 H 4.1298 8.1238 117.5455 58.5068 28.7909 177.6561 97 K 3.8393 8.3945 121.6644 59.4171 31.7481 178.3519 98 A 4.1157 7.7273 119.0450 53.8537 18.3377 178.5380 99 R 4.3512 7.7989 115.2074 55.5205 30.5820 177.1498 100 G 3.9088 7.9465 107.3330 45.3460 0.0000 173.9409 101 I 3.9859 7.3504 120.0877 60.7202 37.9516 175.7191 102 S 4.6869 8.3173 118.2260 56.7058 65.1154 174.9179 103 A 4.1497 8.6431 123.4172 55.4472 18.0264 180.3066 104 G 3.6706 8.1560 103.7252 48.1829 0.0000 175.7832 105 Q 4.1362 8.1222 120.2246 58.6335 28.7175 178.6782 106 L 4.1599 7.7916 120.3999 57.6164 41.7296 178.9128 107 E 4.2367 8.5990 119.2297 59.4115 29.5813 178.7733 108 A 4.0844 8.1867 120.6023 54.9479 18.2662 179.5360 109 A 4.0253 7.8483 119.3684 55.5451 18.5606 179.9433 110 F 4.3095 8.2051 116.3035 60.5706 38.4170 177.8899 111 K 4.1713 8.5178 119.5538 59.2864 31.9336 179.1820 112 V 3.7153 8.0895 118.7399 65.8834 31.4760 177.5844 113 L 4.0179 8.5163 120.3971 58.5237 41.6508 179.1096 114 S 4.3009 8.2566 113.8665 61.7132 63.2225 176.6780 115 G 3.8098 8.0320 107.5706 47.5158 0.0000 175.5409 116 F 4.1234 8.6550 123.1466 61.4587 39.4148 176.7545 117 M 4.4424 8.3664 117.1861 57.0414 31.7425 178.5100 118 K 4.4372 7.8740 120.6720 58.9481 31.9670 179.1036 119 S 3.9878 7.5612 114.2576 60.3961 62.5104 174.6516 120 Y 4.3269 7.5705 118.0519 57.5146 37.9965 176.6808 121 G 4.0011 8.1566 107.3095 45.1874 0.0000 174.7667 122 G 3.9402 7.8905 109.1787 45.3235 0.0000 172.4879 123 D 4.7882 8.8263 122.3284 53.0346 42.4011 177.0201 124 E 4.2949 9.0515 128.2333 59.3525 29.7163 178.8610 125 G 3.6505 8.6052 105.8848 47.4202 0.0000 175.7168 126 A 3.9419 8.1443 122.5897 54.9824 18.5896 179.7051 127 W 3.9569 8.3133 117.3923 60.0394 29.0741 179.0013 128 T 4.0362 8.2542 115.8141 66.3321 67.8575 176.7828 129 A 3.9384 8.0165 122.9543 55.1498 18.4152 179.9159 130 V 3.3544 7.6911 116.5713 65.7452 31.5257 178.1897 131 A 3.2486 8.0503 120.9099 54.6175 18.2012 179.8547 132 G 3.4105 7.9924 104.0659 47.7610 0.0000 175.8589 133 A 3.8619 7.7316 123.3103 54.7971 18.3940 179.8108 134 L 3.4170 7.5162 117.4634 58.0737 41.5388 179.6969 135 M 4.1671 8.2538 119.0375 58.1518 31.5902 179.0158 136 G 3.6361 7.7531 104.9575 47.1977 0.0000 174.8766 137 E 4.2891 7.2838 119.1495 57.9879 30.0966 178.3339 138 I 4.0585 7.5769 120.0200 63.8976 37.5422 177.4190 139 E 3.9399 8.4702 120.9087 59.0800 29.1764 177.3148 140 P 4.3924 0.0000 0.0000 65.1839 31.2729 176.3729 141 D 4.7789 7.8598 117.1387 54.2166 41.0043 176.3323 142 M 4.2432 7.9396 125.3518 55.4698 32.1956 175.7303 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 S 8.33 4.27 0.00 3.81 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 2 L 7.39 4.24 0.00 1.56 1.44 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.66 4.32 0.00 2.19 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 2.39 2.45 0.00 4 A 8.44 3.93 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 5 A 7.90 3.96 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 6 Q 7.96 3.91 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 7 K 8.09 3.85 0.00 1.89 1.78 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.50 7.81 8 S 8.12 4.07 0.00 3.89 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 9 N 8.21 4.31 0.00 2.91 2.92 0.00 0.00 6.88 7.04 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 10 V 7.59 3.25 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 0.18 0.00 0.00 -0.03 0.00 0.00 11 T 7.85 3.94 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 12 S 8.43 4.24 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.65 4.48 0.00 4.47 4.39 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 14 W 9.01 4.36 0.00 3.87 3.30 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 15 A 8.25 3.99 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 16 K 7.57 3.94 0.00 2.06 2.07 0.00 2.05 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.70 7.81 17 A 8.02 3.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.65 3.35 0.00 2.72 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 4.04 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 20 A 7.42 4.59 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 21 W 8.05 4.19 0.00 3.46 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.29 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 23 T 7.70 4.31 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 1.21 0.00 0.00 24 A 8.30 4.47 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 25 G 7.13 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 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.27 0.00 2.07 2.03 0.00 3.41 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 27 E 7.53 3.94 0.00 2.42 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 2.33 2.41 0.00 28 F 7.75 3.23 0.00 1.51 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 0.00 0.00 0.00 29 F 7.43 2.72 0.00 2.73 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 0.00 0.00 0.00 30 M 7.76 3.81 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.75 0.00 31 A 7.66 3.84 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 32 L 7.08 3.69 0.00 0.82 0.92 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.66 4.67 0.00 2.83 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 34 D 8.26 4.44 0.00 2.58 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 35 A 7.72 4.41 1.24 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 36 H 8.25 4.77 0.00 3.40 3.49 0.00 5.63 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.61 4.57 0.00 2.85 2.74 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 38 D 8.16 4.48 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.98 3.93 2.55 0.00 0.00 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 0.00 0.00 1.07 0.00 0.00 40 F 8.47 3.97 0.00 2.98 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.31 3.84 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.09 0.00 1.78 1.60 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.59 7.81 43 F 7.79 4.53 0.00 2.83 2.81 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 44 S 7.56 4.07 0.00 3.73 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 45 G 7.87 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.74 0.00 1.41 1.48 0.76 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.18 4.90 0.00 3.12 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 48 S 8.60 3.84 0.00 3.99 3.95 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 49 G 8.23 3.87 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 0.00 0.00 0.00 50 A 7.92 4.17 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 51 A 8.27 4.34 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 52 K 8.61 3.00 0.00 1.04 1.45 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.41 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.01 0.21 7.81 53 G 7.88 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 54 T 7.74 4.39 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 1.17 0.00 0.00 55 V 7.27 3.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.60 0.00 0.00 56 K 8.04 3.82 0.00 1.63 1.78 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 57 N 7.90 4.87 0.00 2.69 2.78 0.00 0.00 6.92 7.54 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 58 T 7.55 4.36 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 1.24 0.00 0.00 59 P 0.00 4.32 0.00 2.21 2.16 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 60 E 8.25 3.99 0.00 2.29 1.86 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 2.55 2.40 0.00 61 M 8.29 4.10 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 62 A 7.97 3.96 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 63 A 8.01 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 64 Q 8.16 3.98 0.00 1.86 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 65 A 8.28 4.52 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 66 Q 8.35 4.14 0.00 2.29 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 67 S 8.28 4.18 0.00 4.12 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 68 F 8.58 4.02 0.00 3.73 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 69 K 8.52 4.01 0.00 1.60 2.05 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.34 7.81 70 G 8.00 3.52 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 0.00 71 L 7.36 3.40 0.00 1.25 0.90 0.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 72 V 6.81 3.13 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 73 S 7.93 4.09 0.00 3.91 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 74 N 7.30 4.25 0.00 2.44 2.77 0.00 0.00 7.09 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 75 W 7.71 4.54 0.00 3.38 2.88 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 76 V 7.73 3.56 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 0.88 0.00 0.00 0.69 0.00 0.00 77 D 7.87 4.67 0.00 2.86 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 78 N 7.93 5.10 0.00 2.85 2.75 0.00 0.00 6.88 6.74 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 79 L 8.22 3.88 0.00 1.56 1.64 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.96 4.71 0.00 2.63 2.66 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 81 N 7.92 4.80 0.00 2.66 2.76 0.00 0.00 7.04 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 82 A 8.37 4.08 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 83 G 8.05 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 84 A 8.64 4.05 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 85 L 7.97 4.00 0.00 1.82 1.77 0.80 0.62 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 86 E 8.76 4.01 0.00 2.16 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 2.30 2.47 0.00 87 G 7.98 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.36 4.14 0.00 2.53 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 89 C 8.66 4.63 0.00 3.16 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 90 K 8.35 4.03 0.00 2.01 2.03 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 91 T 7.84 3.93 4.35 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 1.27 0.00 0.00 92 F 8.29 4.31 0.00 3.23 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 93 A 8.56 3.74 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 94 A 8.02 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.01 4.25 0.00 2.71 2.83 0.00 0.00 7.16 7.75 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 96 H 8.12 4.13 0.00 2.97 3.19 0.00 5.82 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 97 K 8.39 3.84 0.00 1.89 1.92 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 98 A 7.73 4.12 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 99 R 7.80 4.35 0.00 1.80 1.84 0.00 2.96 0.00 0.00 3.01 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 100 G 7.95 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 0.00 101 I 7.35 3.99 2.02 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 1.44 0.52 0.94 0.00 0.00 102 S 8.32 4.69 0.00 4.02 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 0.00 103 A 8.64 4.15 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 0.00 104 G 8.16 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.12 4.14 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 106 L 7.79 4.16 0.00 1.95 1.96 0.93 0.88 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 0.00 107 E 8.60 4.24 0.00 2.30 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 2.40 2.51 0.00 108 A 8.19 4.08 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 0.00 109 A 7.85 4.03 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 0.00 110 F 8.21 4.31 0.00 3.39 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.52 4.17 0.00 2.12 1.93 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.56 7.81 112 V 8.09 3.72 2.17 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 0.99 0.00 0.00 1.04 0.00 0.00 113 L 8.52 4.02 0.00 1.80 2.02 0.53 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.26 4.30 0.00 4.19 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.03 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 0.00 116 F 8.65 4.12 0.00 3.33 3.34 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 0.00 117 M 8.37 4.44 0.00 1.65 1.57 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.37 0.00 118 K 7.87 4.44 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 119 S 7.56 3.99 0.00 3.06 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 0.00 120 Y 7.57 4.33 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.16 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 0.00 122 G 7.89 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 0.00 123 D 8.83 4.79 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 124 E 9.05 4.29 0.00 2.17 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 2.47 2.51 0.00 125 G 8.61 3.65 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 0.00 0.00 0.00 126 A 8.14 3.94 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 0.00 127 W 8.31 3.96 0.00 3.54 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.04 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 129 A 8.02 3.94 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 0.00 130 V 7.69 3.35 1.77 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 0.67 0.00 0.00 0.65 0.00 0.00 131 A 8.05 3.25 1.15 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 0.00 0.00 132 G 7.99 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.86 1.19 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 0.00 0.00 134 L 7.52 3.42 0.00 1.02 0.95 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 135 M 8.25 4.17 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 136 G 7.75 3.64 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 0.00 0.00 0.00 137 E 7.28 4.29 0.00 1.87 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 2.24 2.24 0.00 138 I 7.58 4.06 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.76 1.06 0.00 0.00 139 E 8.47 3.94 0.00 2.04 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 2.33 2.36 0.00 140 P 0.00 4.39 0.00 2.26 2.17 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 141 D 7.86 4.78 0.00 2.80 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 0.00 142 M 7.94 4.24 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00