NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3917 8.1633 120.3491 55.6543 33.9923 174.6934 2 N 4.5836 8.0358 119.7319 50.7274 37.0618 173.2752 3 R 5.6784 8.5485 135.0000 56.2296 32.0490 177.1682 4 G 3.8979 7.1341 109.5259 48.7229 0.0000 175.9615 5 A 4.0497 7.8954 122.3017 55.1215 18.6240 178.9278 6 L 3.8960 7.9592 116.8527 58.5734 42.1803 178.8691 7 I 3.8272 8.0733 119.7142 64.3483 37.1232 178.0871 8 K 3.8408 7.6024 119.0896 59.9179 31.8688 179.2546 9 L 4.0297 8.3111 118.9230 57.6657 41.1919 179.9074 10 V 3.6108 7.5744 117.8040 65.8597 31.5621 177.0918 11 E 4.0143 7.9733 117.2321 58.8303 29.5097 177.2063 12 S 4.2070 7.3837 115.7848 57.9162 62.7077 174.3921 13 R 4.5115 8.3003 118.6004 57.1073 32.7205 174.9773 14 Y 4.2852 8.2181 115.6581 58.7223 38.1468 175.8138 15 V 3.9685 7.4915 114.3074 61.1708 32.3077 176.3087 16 R 4.5687 8.5948 123.2078 55.7264 31.6780 175.6699 17 T 4.7089 8.1418 108.8760 62.9653 71.3553 174.4314 18 D 4.4979 8.4638 120.2377 56.1746 39.4111 176.8960 19 L 3.8048 7.2305 118.6723 54.3087 42.0676 175.6923 20 P 4.6570 0.0000 0.0000 61.2953 32.5260 175.8598 21 E 4.1820 8.5635 119.6657 56.6376 29.8819 177.2584 22 F 4.4811 8.1283 112.0895 56.5363 39.1487 173.3968 23 R 4.3660 8.3821 122.4770 52.7623 31.6834 174.1946 24 P 4.2970 0.0000 0.0000 64.5758 31.8170 175.6402 25 G 3.6536 9.2939 105.8681 45.2702 0.0000 173.2005 26 D 4.4793 7.2061 112.9965 52.6441 42.3153 177.1580 27 T 4.6981 7.8288 116.4033 62.3419 69.0661 173.1116 28 V 4.5495 8.1428 122.4768 61.0627 35.4170 171.4416 29 R 5.7519 8.4242 118.0669 53.6118 32.4093 174.5232 30 V 4.4411 8.4611 115.7754 59.9095 34.5613 174.9465 31 S 5.1654 8.3298 120.2258 56.7776 64.3637 172.4047 32 Y 4.9142 9.1724 127.4773 55.3480 40.6966 175.0186 33 K 4.3694 8.0476 126.9437 56.6556 32.7724 176.7136 34 V 4.6281 8.3812 123.3562 61.1086 35.7250 174.3667 35 K 5.0604 8.6006 125.3841 54.6084 32.5170 174.5837 36 E 4.0259 8.6811 127.8168 56.2219 29.4985 175.8329 37 G 4.0094 8.7928 117.9285 45.5407 0.0000 172.7471 38 N 4.8385 8.5508 115.3608 53.2614 41.0348 176.6974 39 R 4.2087 7.6166 114.6036 55.9020 30.5476 174.7400 40 T 5.5550 8.0029 114.3247 62.2352 71.6206 174.3656 41 R 4.4351 8.3877 127.7162 55.5128 31.9333 176.4743 42 I 4.8655 7.8207 109.5275 59.7417 36.5552 175.3033 43 Q 3.9747 8.2957 122.5387 58.1135 30.3883 176.2164 44 D 5.3630 8.8502 125.0462 53.3143 43.9187 175.6179 45 F 4.8884 9.1905 123.3026 56.8700 41.9328 172.1709 46 E 4.8648 8.1987 127.0211 54.8053 31.0409 174.9760 47 G 3.9067 8.3248 112.7322 45.9690 0.0000 171.5986 48 I 4.6838 8.1698 121.3254 60.2199 38.7221 176.3853 49 V 4.4579 8.1456 126.4726 61.9589 31.5837 176.8555 50 I 3.8088 9.4210 128.8374 63.7856 38.5985 176.4522 51 R 4.4477 7.5580 118.1770 55.4794 33.3192 173.2287 52 I 4.7388 8.5331 127.3467 59.8436 39.4028 175.6875 53 R 4.4827 9.1801 128.6570 54.4851 30.3247 174.3276 54 R 4.7789 8.2223 123.0557 54.6417 31.1285 176.8357 55 N 4.7238 8.6645 119.7635 52.6898 40.4463 175.3789 56 G 3.6609 8.0307 112.0783 46.1732 0.0000 173.9972 57 F 4.3078 8.9152 127.4887 58.3135 39.6448 173.8836 58 N 3.5321 6.4792 115.9195 53.2015 36.3379 173.9449 59 T 4.2275 7.6427 113.4723 63.0769 68.6171 173.3220 60 T 5.3370 8.5699 117.8022 60.1484 72.5632 172.6101 61 F 5.5767 8.5690 116.0147 55.7692 41.9140 173.2969 62 T 4.9644 8.8991 110.1418 59.9994 71.7668 172.8430 63 V 5.0944 8.8119 124.9125 61.2191 34.8825 174.1115 64 R 5.2855 9.1006 126.1606 54.6680 33.5091 174.2909 65 K 4.7771 9.1582 124.2556 55.9427 36.6565 175.3217 66 V 5.0571 7.8439 117.1208 60.0984 31.0223 173.1859 67 S 4.1869 8.3619 116.2761 58.5253 63.5280 173.6697 68 Y 3.3400 9.2653 127.3557 59.0979 34.6640 171.3694 69 G 4.1179 8.0609 109.1779 45.5270 0.0000 172.8156 70 V 4.1949 7.7459 119.9202 61.4000 33.1827 175.6784 71 G 4.1048 8.6444 115.0046 46.0234 0.0000 172.9842 72 V 4.7400 9.4542 123.9255 60.9257 35.2446 173.9514 73 E 5.3952 8.8908 125.5256 54.7456 32.6690 175.2416 74 R 4.4054 8.9490 121.8151 54.2098 34.3661 174.4940 75 I 4.4743 7.1978 120.0554 59.4070 40.8987 174.9900 76 F 4.8731 8.0419 123.4502 54.7756 43.2373 172.4872 77 P 4.4489 0.0000 0.0000 62.4676 31.6166 177.1398 78 L 4.4421 8.8239 128.0085 57.6021 42.1336 176.9877 79 H 5.0662 7.7698 113.9422 55.7503 29.9593 173.2543 80 S 4.3231 8.8127 115.9430 57.9283 62.6453 174.0739 81 P 4.8952 0.0000 0.0000 62.1072 30.5779 177.3000 82 L 4.3154 7.5791 113.7811 55.3901 46.1603 176.4426 83 I 4.0122 7.3728 121.7713 59.5174 36.6915 175.4806 84 Q 4.0107 8.6323 127.3310 58.5069 28.9100 176.5897 85 K 4.6721 7.5375 115.0814 54.9770 37.2904 174.7396 86 I 4.3093 7.9732 119.8531 61.0308 39.2453 172.5182 87 D 4.9021 8.5305 129.7667 52.4935 42.5534 176.2763 88 I 4.2717 8.2723 117.2217 61.0415 38.4369 176.0509 89 V 4.4379 8.6661 115.9638 60.1964 31.9622 175.3700 90 Q 4.9504 7.1227 125.6002 56.1405 31.9542 172.1498 91 R 4.9132 7.9294 121.9523 54.5342 34.4057 174.4528 92 G 4.4633 8.4371 108.3946 44.1646 0.0000 172.3625 93 R 4.0133 8.6124 121.1035 56.2377 30.2500 176.2144 94 A 4.0559 8.6121 129.2268 54.5140 18.9949 178.9762 95 R 3.9817 8.6520 112.0202 56.6418 29.3147 175.2635 96 R 4.4753 7.5315 114.5843 56.2939 33.0124 172.7666 97 A 4.2047 7.8630 123.6294 53.3854 19.4499 177.5215 98 K 4.0373 8.1145 114.8631 55.1902 33.8838 178.0149 99 L 5.1265 8.0000 124.6266 54.6151 40.3071 177.3821 100 Y 4.2167 7.7705 116.6041 60.5414 38.5367 177.8314 101 F 4.4226 8.4238 116.2236 59.5767 37.7152 177.1578 102 I 3.3697 6.3302 113.0110 63.7899 37.5137 177.5558 103 R 3.9480 7.9317 120.0622 59.7904 29.6328 177.7103 104 N 4.6591 7.8395 111.9962 53.6854 38.4208 176.1456 105 L 4.4957 7.3612 116.0176 54.4855 44.3142 172.1009 106 S 4.8087 8.7852 116.1062 54.5585 65.8189 175.5248 107 D 4.5441 8.3100 121.0467 53.0218 42.1136 177.4047 108 R 3.8873 8.2724 115.6939 60.0432 28.2778 179.0730 109 E 4.0493 8.2801 117.9559 59.2392 29.4274 178.6916 110 I 3.9609 7.7507 117.6912 64.4863 38.2368 177.2046 111 R 4.0769 7.6822 120.0194 58.1427 30.8313 177.2998 112 R 4.3280 7.7961 117.5631 55.0147 27.6635 176.4407 113 K 4.5107 7.3295 115.8540 57.8233 37.8934 175.2264 114 L 4.9309 8.3787 118.3859 53.0995 42.2177 175.6002 115 R 3.7999 7.6914 116.4726 56.4270 30.0295 177.4787 116 A 4.3746 7.4402 114.4172 51.0292 23.0488 177.2002 117 D 4.6813 8.3806 126.7977 52.9953 40.2778 177.5698 118 R 3.6314 7.8877 120.6144 59.7610 30.3801 177.7298 119 K 4.0259 8.1103 119.7761 59.1726 32.2259 178.5288 120 R 3.9304 8.5843 117.5350 59.3658 30.2936 179.0351 121 I 3.9129 8.3410 121.5914 64.0790 37.1443 178.1832 122 D 4.4257 7.9939 118.9851 57.1209 40.4506 178.9902 123 K 4.0482 7.8771 119.0431 59.8941 31.6108 178.0157 124 D 4.4068 8.8529 118.8591 56.9507 40.3947 178.7184 125 R 4.1102 7.9339 119.0828 60.6615 30.8700 177.9827 126 A 3.9841 8.1963 119.7122 55.4185 18.0523 178.5877 127 A 4.1618 8.1729 118.4798 53.9474 18.7258 178.8361 128 E 4.0849 8.2820 119.1729 58.9606 29.6778 178.7723 129 R 3.9450 8.6909 118.2425 58.7421 29.8112 179.0085 130 A 3.9454 8.4750 121.2344 55.2617 18.2817 179.5748 131 A 4.0679 7.5755 117.6441 54.6972 18.6890 179.5961 132 K 4.1021 7.7249 117.7128 59.3614 32.0629 179.0552 133 E 4.0648 8.3223 119.1445 59.3610 29.1305 178.3156 134 E 4.4936 7.5101 114.6441 56.4614 29.6528 177.2174 135 V 4.3970 7.3152 117.1970 62.7995 33.6937 176.8775 136 Q 4.1042 8.9006 118.6538 58.4751 28.7837 176.2420 137 K 4.1899 8.1514 120.6335 56.4465 32.3969 176.0762 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 8.16 4.39 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 2 N 8.04 4.58 0.00 2.83 2.81 0.00 0.00 6.80 6.78 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 3 R 8.55 5.68 0.00 2.09 2.19 0.00 3.01 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.35 0.00 4 G 7.13 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 5 A 7.90 4.05 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 6 L 7.96 3.90 0.00 1.63 1.88 0.92 1.01 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 7 I 8.07 3.83 2.08 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 1.73 0.96 0.91 0.00 0.00 8 K 7.60 3.84 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 9 L 8.31 4.03 0.00 1.83 1.73 0.94 0.73 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 10 V 7.57 3.61 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 0.83 0.00 0.00 0.97 0.00 0.00 11 E 7.97 4.01 0.00 2.15 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 2.32 2.33 0.00 12 S 7.38 4.21 0.00 3.87 3.45 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 13 R 8.30 4.51 0.00 1.80 1.93 0.00 2.91 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.00 14 Y 8.22 4.29 0.00 2.79 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 15 V 7.49 3.97 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 0.66 0.00 0.00 0.96 0.00 0.00 16 R 8.59 4.57 0.00 1.95 2.09 0.00 3.39 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 17 T 8.14 4.71 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 1.23 0.00 0.00 18 D 8.46 4.50 0.00 2.81 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 19 L 7.23 3.80 0.00 1.58 1.59 1.01 1.18 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 20 P 0.00 4.66 0.00 1.99 1.95 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 21 E 8.56 4.18 0.00 2.00 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 2.33 0.00 22 F 8.13 4.48 0.00 3.05 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.38 4.37 0.00 1.82 1.81 0.00 3.02 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 24 P 0.00 4.30 0.00 2.24 2.06 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 25 G 9.29 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 26 D 7.21 4.48 0.00 2.95 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 27 T 7.83 4.70 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 28 V 8.14 4.55 2.07 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 0.80 0.00 0.00 0.83 0.00 0.00 29 R 8.42 5.75 0.00 1.94 2.00 0.00 3.02 0.00 0.00 3.42 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 30 V 8.46 4.44 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 0.59 0.00 0.00 0.35 0.00 0.00 31 S 8.33 5.17 0.00 3.73 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 32 Y 9.17 4.91 0.00 3.01 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 33 K 8.05 4.37 0.00 1.55 1.68 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.24 7.81 34 V 8.38 4.63 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.14 0.00 0.00 35 K 8.60 5.06 0.00 1.80 1.85 0.00 1.25 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.28 7.81 36 E 8.68 4.03 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 37 G 8.79 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 0.00 0.00 0.00 38 N 8.55 4.84 0.00 2.79 2.88 0.00 0.00 5.99 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 39 R 7.62 4.21 0.00 2.02 2.16 0.00 2.93 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 40 T 8.00 5.55 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 41 R 8.39 4.44 0.00 1.73 1.95 0.00 3.39 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 I 7.82 4.87 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 1.22 1.16 0.90 0.00 0.00 43 Q 8.30 3.97 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 44 D 8.85 5.36 0.00 2.73 2.60 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 45 F 9.19 4.89 0.00 3.13 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 E 8.20 4.86 0.00 1.95 1.72 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 2.14 2.25 0.00 47 G 8.32 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 0.00 0.00 0.00 48 I 8.17 4.68 1.84 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 1.25 0.43 0.89 0.00 0.00 49 V 8.15 4.46 2.39 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 0.99 0.00 0.00 1.07 0.00 0.00 50 I 9.42 3.81 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.28 0.66 0.00 0.00 51 R 7.56 4.45 0.00 1.34 1.45 0.00 3.31 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 52 I 8.53 4.74 1.76 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.82 0.00 0.00 53 R 9.18 4.48 0.00 1.84 1.95 0.00 3.11 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 54 R 8.22 4.78 0.00 1.74 1.85 0.00 3.33 0.00 0.00 3.78 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 55 N 8.66 4.72 0.00 2.63 2.71 0.00 0.00 7.06 7.98 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 56 G 8.03 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.92 4.31 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 58 N 6.48 3.53 0.00 2.77 2.42 0.00 0.00 5.96 7.71 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 59 T 7.64 4.23 4.41 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 1.25 0.00 0.00 60 T 8.57 5.34 4.22 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 0.00 0.00 1.19 0.00 0.00 61 F 8.57 5.58 0.00 3.19 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 62 T 8.90 4.96 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 63 V 8.81 5.09 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 1.09 0.00 0.00 1.45 0.00 0.00 64 R 9.10 5.29 0.00 1.85 1.69 0.00 3.24 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 65 K 9.16 4.78 0.00 1.61 1.57 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.05 1.29 7.81 66 V 7.84 5.06 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 1.20 0.00 0.00 0.91 0.00 0.00 67 S 8.36 4.19 0.00 4.04 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 68 Y 9.27 3.34 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.75 4.19 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 0.95 0.00 0.00 0.96 0.00 0.00 71 G 8.64 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.45 4.74 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 1.14 0.00 0.00 1.07 0.00 0.00 73 E 8.89 5.40 0.00 1.83 1.79 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 2.23 2.33 0.00 74 R 8.95 4.41 0.00 1.03 0.66 0.00 2.21 0.00 0.00 2.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.82 0.00 75 I 7.20 4.47 1.56 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 1.20 0.27 0.76 0.00 0.00 76 F 8.04 4.87 0.00 2.51 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 77 P 0.00 4.45 0.00 2.13 1.98 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 78 L 8.82 4.44 0.00 1.96 1.67 0.77 0.96 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 79 H 7.77 5.07 0.00 3.11 3.52 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.81 4.32 0.00 4.01 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 81 P 0.00 4.90 0.00 2.12 2.10 0.00 3.82 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 82 L 7.58 4.32 0.00 1.35 0.59 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.37 4.01 1.84 0.00 0.00 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 1.15 0.73 0.86 0.00 0.00 84 Q 8.63 4.01 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 85 K 7.54 4.67 0.00 1.73 1.62 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.36 7.81 86 I 7.97 4.31 1.70 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.19 0.72 0.00 0.00 87 D 8.53 4.90 0.00 2.70 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 88 I 8.27 4.27 1.88 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 1.35 0.39 0.87 0.00 0.00 89 V 8.67 4.44 2.07 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 0.70 0.00 0.00 0.96 0.00 0.00 90 Q 7.12 4.95 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 91 R 7.93 4.91 0.00 1.76 1.76 0.00 3.29 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 92 G 8.44 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.61 4.01 0.00 1.78 1.89 0.00 3.29 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 94 A 8.61 4.06 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 95 R 8.65 3.98 0.00 1.95 2.07 0.00 3.32 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 96 R 7.53 4.48 0.00 1.73 1.83 0.00 3.34 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 97 A 7.86 4.20 1.23 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 0.00 0.00 98 K 8.11 4.04 0.00 1.86 1.92 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.68 1.37 7.81 99 L 8.00 5.13 0.00 1.85 2.00 0.84 0.83 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 0.00 100 Y 7.77 4.22 0.00 3.07 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 0.00 101 F 8.42 4.42 0.00 3.27 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.33 3.37 1.55 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 1.30 0.27 0.15 0.00 0.00 103 R 7.93 3.95 0.00 2.02 2.00 0.00 3.27 0.00 0.00 3.21 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 104 N 7.84 4.66 0.00 2.87 2.89 0.00 0.00 6.96 7.73 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 0.00 105 L 7.36 4.50 0.00 1.63 1.56 0.96 0.78 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 0.00 106 S 8.79 4.81 0.00 3.97 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 0.00 107 D 8.31 4.54 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.27 3.89 0.00 1.89 2.00 0.00 3.17 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 109 E 8.28 4.05 0.00 2.21 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 2.41 2.33 0.00 110 I 7.75 3.96 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 0.98 0.00 0.00 111 R 7.68 4.08 0.00 1.96 1.85 0.00 3.34 0.00 0.00 3.21 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 112 R 7.80 4.33 0.00 1.94 2.00 0.00 3.29 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 113 K 7.33 4.51 0.00 1.98 1.91 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.67 7.81 114 L 8.38 4.93 0.00 1.58 1.55 0.93 1.00 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 0.00 115 R 7.69 3.80 0.00 1.92 1.89 0.00 3.25 0.00 0.00 3.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 116 A 7.44 4.37 1.22 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 0.00 0.00 0.00 0.00 0.00 117 D 8.38 4.68 0.00 2.73 2.60 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 0.00 118 R 7.89 3.63 0.00 1.89 2.00 0.00 3.18 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 119 K 8.11 4.03 0.00 1.82 1.98 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 120 R 8.58 3.93 0.00 1.94 1.98 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 121 I 8.34 3.91 1.87 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 1.54 1.24 0.91 0.00 0.00 122 D 7.99 4.43 0.00 2.81 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 0.00 123 K 7.88 4.05 0.00 1.98 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 124 D 8.85 4.41 0.00 2.94 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 0.00 0.00 0.00 0.00 125 R 7.93 4.11 0.00 1.83 2.00 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 126 A 8.20 3.98 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 0.00 127 A 8.17 4.16 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 0.00 128 E 8.28 4.08 0.00 2.37 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 129 R 8.69 3.95 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 130 A 8.48 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 0.00 131 A 7.58 4.07 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 0.00 132 K 7.72 4.10 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.60 7.81 133 E 8.32 4.06 0.00 2.24 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 2.45 2.51 0.00 134 E 7.51 4.49 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 135 V 7.32 4.40 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 0.84 0.00 0.00 0.99 0.00 0.00 136 Q 8.90 4.10 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 137 K 8.15 4.19 0.00 1.81 1.67 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81