NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4103 8.2893 120.3486 55.3892 33.1264 174.6446 2 N 4.6989 8.5888 123.9791 51.2962 39.0390 172.9711 3 I 4.6100 8.7901 121.1265 59.5924 41.9783 176.2630 4 I 4.3889 8.3264 123.7293 59.6120 38.6515 175.1353 5 K 4.4616 8.6229 124.7761 54.3901 34.1307 176.1428 6 A 4.5870 8.3919 126.2495 50.7506 20.8507 175.0986 7 N 5.0142 8.1761 116.9487 51.9904 41.5071 175.8043 8 V 3.8849 8.0999 114.1766 62.6457 32.3377 176.3236 9 A 4.1678 8.0606 123.6367 52.0224 18.7225 178.0522 10 A 4.6362 8.3144 122.9848 51.2411 21.6289 174.0778 11 P 4.7650 0.0000 0.0000 64.8811 32.1863 178.8636 12 D 4.6159 8.0718 115.5393 54.2939 40.5288 175.7360 13 A 4.6072 7.6820 124.5608 51.8244 20.2109 178.3032 14 R 4.8192 9.3874 121.2296 55.1543 32.4657 175.6728 15 V 4.9341 8.8398 124.5182 60.0027 34.8135 173.9827 16 A 4.8935 8.5266 128.5149 50.0754 21.5535 175.1567 17 I 4.8245 8.5939 123.9624 59.5892 39.9984 174.6864 18 T 4.7553 8.5882 117.8798 59.9706 70.8460 173.4352 19 I 5.2622 8.3204 126.4731 58.1891 40.5066 174.5549 20 A 4.9812 8.4749 128.2759 51.4812 18.8875 177.9593 21 R 4.4286 9.3507 119.8411 58.5043 30.2279 176.9645 22 F 4.6204 8.1766 121.3368 59.9891 39.6536 174.3357 23 N 4.6788 9.8520 124.0379 54.4868 35.5366 176.1573 24 Q 4.1683 8.3549 120.3725 59.4221 28.0898 177.8955 25 F 3.9226 8.5179 121.5436 61.0450 39.4140 176.3140 26 I 4.2292 8.2346 118.6568 63.6129 37.3030 177.6496 27 N 4.3485 8.2865 116.6909 56.3829 38.2684 176.8445 28 D 4.5188 8.7720 120.7227 57.6901 41.0278 178.8878 29 S 4.0590 7.9733 112.8872 61.1038 62.3844 175.4694 30 L 4.0720 7.8242 123.2146 58.4739 41.6452 178.4934 31 L 3.8531 8.3303 120.5066 57.8650 42.0607 178.5096 32 D 4.5074 8.4208 118.7701 57.4053 40.9041 179.7100 33 G 3.6026 8.1451 105.6613 47.7840 0.0000 175.4186 34 A 3.9149 7.7750 123.3307 54.6451 18.5062 179.3356 35 V 3.4444 7.9221 116.9208 66.3388 31.5395 177.2384 36 D 4.3127 8.1165 117.1395 57.7956 40.9743 177.8535 37 A 3.8855 8.3448 120.8481 55.7625 18.4119 179.0575 38 L 3.8864 8.4976 116.6372 59.2070 41.9124 179.7877 39 T 4.2127 8.2575 111.0799 63.8513 68.5713 176.1603 40 R 3.8596 8.1177 123.6062 58.2783 30.3507 178.3607 41 I 4.2413 7.7510 117.8504 63.4137 38.1918 177.7296 42 G 3.8514 7.8270 103.6550 43.9959 0.0000 173.9210 43 Q 3.6961 7.9819 120.8516 56.5368 28.0695 172.7779 44 V 3.9353 7.4915 116.5636 61.8976 32.2447 175.2005 45 K 4.2902 8.5544 128.7687 56.2694 32.5965 176.5663 46 D 4.7056 8.7954 124.5288 53.9257 39.1453 176.2219 47 D 4.8013 7.9820 117.1474 53.7708 40.2608 176.3124 48 N 4.6965 8.5038 117.8311 53.7429 39.3381 174.1702 49 I 4.9230 7.6007 120.2612 60.4083 38.2971 175.2217 50 T 4.7102 8.8746 117.3937 59.7021 71.8789 173.0155 51 V 4.6034 8.4203 123.7987 61.0669 34.0936 174.5238 52 V 4.3021 8.8685 128.6574 60.7896 33.6304 174.5673 53 W 4.9268 8.9852 129.1244 56.6191 29.5245 176.4560 54 V 4.3673 8.6673 119.1774 59.0961 33.6173 174.8203 55 P 4.3221 0.0000 0.0000 65.0989 31.3349 176.9385 56 G 4.4747 7.9653 108.3351 42.7195 0.0000 174.0625 57 A 4.0692 8.4844 120.6107 54.8780 18.0749 179.2805 58 Y 4.2153 8.1487 117.0336 60.5985 39.2654 177.3480 59 E 4.1319 8.2494 119.1304 57.9953 29.6232 178.5931 60 L 3.8863 7.5814 119.4363 58.1628 41.6392 177.0295 61 P 4.1808 0.0000 0.0000 64.7917 31.1057 178.0735 62 L 3.8131 7.6548 117.9629 58.4178 42.4377 179.3676 63 A 3.9772 7.8306 120.1921 55.5778 18.3108 179.8225 64 T 3.8149 8.1783 108.5229 64.5449 68.6780 176.1908 65 E 3.8443 8.8864 122.4944 59.1506 29.6164 178.2737 66 A 4.0094 8.0107 120.6515 55.5904 18.1779 179.5348 67 L 4.0599 7.5703 114.8309 58.0038 41.9947 179.5042 68 A 4.2231 8.3887 120.9017 55.1388 18.1852 179.8400 69 K 3.9500 8.2090 116.2835 59.5849 32.1426 178.9478 70 S 4.2008 8.1467 113.0448 59.5016 61.8239 175.8963 71 G 3.9501 8.4908 110.3859 46.3116 0.0000 176.0663 72 K 3.9385 7.6601 120.0419 56.2840 31.8841 182.1633 73 Y 5.1011 6.9742 114.0582 56.8229 40.5902 175.4858 74 D 4.7240 9.2252 121.9429 56.1325 41.8434 176.4180 75 A 4.5515 7.3986 117.3773 51.2131 22.5345 175.0743 76 V 4.7659 8.2002 119.7200 61.0369 34.6465 174.4712 77 V 4.4033 8.8423 128.1013 61.3833 33.5558 174.1039 78 A 4.9433 8.6235 130.0632 49.6189 20.9442 175.1088 79 L 5.3715 7.9861 123.0749 52.6631 44.5103 176.3707 80 G 4.2025 7.7157 108.3444 45.9693 0.0000 171.8299 81 T 5.0719 8.5446 116.0821 61.5281 71.8591 174.4660 82 V 4.2134 8.9947 125.1186 61.3162 34.0704 173.8388 83 I 4.6532 8.1843 128.6176 59.6861 38.5379 176.0108 84 R 3.6482 8.4743 127.8899 56.6146 30.2755 176.3745 85 G 4.4071 8.3577 116.1693 44.3128 0.0000 172.9955 86 G 3.6409 8.7790 107.6817 47.4777 0.0000 173.3099 87 T 4.5289 7.6122 108.3362 59.7548 71.6064 173.4323 88 A 4.5089 8.3593 121.2697 52.7147 18.8734 178.6843 89 H 4.3025 8.3353 120.3906 60.3294 29.8102 176.9077 90 F 4.0116 8.4769 122.0429 61.5707 38.9953 176.6082 91 E 3.6063 7.9500 118.1937 59.5228 29.3476 178.3384 92 Y 4.3189 7.3832 115.7822 60.6096 38.0609 177.5785 93 V 3.6642 7.6678 119.3731 65.8248 31.6500 177.7740 94 A 4.0696 7.7757 120.1261 55.2414 18.0439 179.6682 95 G 3.6118 8.0953 104.6284 47.7576 0.0000 176.0661 96 G 3.8593 8.6247 108.2894 45.8257 0.0000 174.8057 97 A 4.2503 7.7469 122.7802 54.4093 19.6280 179.0954 98 S 4.1418 8.1609 111.6687 61.9188 62.3478 176.2851 99 N 4.4310 8.5289 119.3874 55.9209 38.3039 177.4257 100 G 3.7264 7.7238 106.3885 48.1045 0.0000 175.5849 101 L 4.0042 8.1503 121.7689 57.1538 41.8285 179.5491 102 A 3.9891 8.1473 120.7146 55.0850 18.2598 179.5388 103 S 3.9637 8.3367 111.8283 61.5360 62.4509 176.1743 104 V 3.5479 7.7566 120.6758 66.2547 31.1214 177.7445 105 A 4.3103 7.8019 121.0643 54.8236 18.0129 179.4474 106 Q 3.9015 7.6544 116.2918 59.1342 29.1339 177.7990 107 D 4.5288 8.0513 119.5294 57.0272 41.2611 178.5318 108 S 4.3318 8.3145 113.0489 58.8343 63.4163 175.6612 109 G 3.8986 8.1199 109.4282 45.6827 0.0000 173.7538 110 V 3.9611 7.6209 121.0980 61.6457 33.0340 173.6365 111 P 4.5011 0.0000 0.0000 62.6734 32.5270 175.1786 112 V 4.9394 8.3874 123.2172 61.0334 34.1380 174.1891 113 A 4.4932 8.8633 130.1834 50.7496 20.5618 176.3613 114 F 4.7229 8.9677 126.9177 56.2904 38.0862 175.8917 115 G 3.9239 8.0637 117.6865 44.9322 0.0000 171.0888 116 V 4.5339 6.0814 117.5304 60.5978 33.8928 176.0276 117 L 4.2729 8.7606 129.4845 55.0624 42.7786 176.6142 118 T 5.0861 8.7447 112.7696 58.7054 68.8011 172.5956 119 T 4.6043 8.1471 120.9212 61.0587 72.0833 175.0421 120 E 4.1448 9.8807 120.8012 57.2026 30.5481 177.2274 121 S 4.7030 7.5925 112.0754 55.5743 67.6063 174.7676 122 I 3.6821 8.2496 123.2938 64.3274 36.6866 177.9759 123 E 3.9233 8.2419 119.7859 59.8015 29.1342 179.0082 124 Q 4.1600 7.8938 116.0084 58.7270 29.0391 178.2616 125 A 4.1628 7.8241 121.7940 55.4194 18.3393 179.6974 126 I 3.7462 7.8805 118.1844 64.7074 37.1279 178.5455 127 E 4.5354 7.9870 120.7253 58.1425 29.2673 178.4503 128 R 4.5238 7.9306 115.6725 55.6877 30.4744 176.7567 129 A 4.8317 7.2217 121.9262 52.6699 19.5078 177.0142 130 G 4.4605 7.9095 107.9678 48.1596 0.0000 175.4323 131 T 4.6322 7.5101 115.7943 60.0632 68.7724 175.6786 132 K 3.7846 9.2620 117.1045 59.3223 31.7261 177.7899 133 A 4.5821 7.8288 119.3087 52.0206 20.0792 178.9422 134 G 3.7309 8.1261 110.2473 47.4371 0.0000 174.0498 135 N 5.2568 8.2496 118.1224 50.9110 41.0161 175.5614 136 K 4.0249 8.9523 128.9787 58.9080 32.0523 179.2677 137 G 4.0506 8.3281 107.2919 47.4154 0.0000 175.7225 138 A 4.0350 7.8778 123.5791 54.2991 18.3902 179.2270 139 E 3.8617 8.4506 118.0142 59.3834 29.7577 178.9209 140 A 4.0516 8.5551 122.2344 54.3473 18.4049 179.3950 141 A 3.9125 8.2187 119.5881 55.3416 18.4103 179.9032 142 L 3.9274 8.0359 117.6597 58.2027 41.4443 179.9451 143 T 3.8645 8.1987 109.4307 64.6125 68.5401 176.0390 144 A 4.0233 7.9988 124.0441 55.0656 18.2847 178.9986 145 L 3.8556 7.9835 116.4157 58.1985 41.8237 179.2999 146 E 4.1695 8.3864 119.9836 59.2308 29.4468 179.2098 147 M 4.0670 7.8881 117.7806 58.2698 31.9026 178.4293 148 I 3.6959 7.7225 120.0217 64.8615 37.2858 178.1718 149 N 4.3288 7.9515 116.7424 56.2238 38.1513 177.5579 150 V 3.5761 7.9292 119.0904 66.1324 31.8431 177.9128 151 L 4.0835 8.4176 118.9054 57.7786 41.4009 179.2130 152 K 3.9414 8.1681 118.7120 59.5356 32.1626 177.1467 153 A 4.4480 8.1157 120.2604 51.7874 19.2718 177.2662 154 I 3.8636 7.6990 120.8495 63.2117 37.7755 173.9121 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.70 0.00 2.94 2.79 0.00 0.00 6.05 6.93 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 3 I 8.79 4.61 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.39 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 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.46 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.59 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 7 N 8.18 5.01 0.00 2.74 2.65 0.00 0.00 6.87 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 8 V 8.10 3.88 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.06 4.17 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 10 A 8.31 4.64 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 11 P 0.00 4.76 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.62 0.00 2.69 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 13 A 7.68 4.61 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 14 R 9.39 4.82 0.00 1.43 1.79 0.00 3.22 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.84 4.93 2.09 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.53 4.89 0.34 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 17 I 8.59 4.82 1.68 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 1.17 0.80 0.74 0.00 0.00 18 T 8.59 4.76 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 1.09 0.00 0.00 19 I 8.32 5.26 0.77 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 0.79 -0.18 0.43 0.00 0.00 20 A 8.47 4.98 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 21 R 9.35 4.43 0.00 2.08 2.51 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 22 F 8.18 4.62 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 23 N 9.85 4.68 0.00 2.97 3.00 0.00 0.00 6.88 8.08 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 24 Q 8.35 4.17 0.00 2.52 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.52 3.92 0.00 3.13 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 26 I 8.23 4.23 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.76 0.95 0.00 0.00 27 N 8.29 4.35 0.00 2.88 2.92 0.00 0.00 7.08 8.08 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 28 D 8.77 4.52 0.00 2.66 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 29 S 7.97 4.06 0.00 3.81 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 30 L 7.82 4.07 0.00 1.94 1.63 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.33 3.85 0.00 1.76 1.80 0.77 1.02 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 32 D 8.42 4.51 0.00 2.86 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 33 G 8.15 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 34 A 7.77 3.91 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 35 V 7.92 3.44 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 0.97 0.00 0.00 0.96 0.00 0.00 36 D 8.12 4.31 0.00 2.85 2.90 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 37 A 8.34 3.89 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 38 L 8.50 3.89 0.00 1.85 1.74 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.26 4.21 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 1.28 0.00 0.00 40 R 8.12 3.86 0.00 1.84 2.23 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 41 I 7.75 4.24 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 1.45 0.97 0.91 0.00 0.00 42 G 7.83 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 43 Q 7.98 3.70 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.49 3.94 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 0.93 0.00 0.00 0.99 0.00 0.00 45 K 8.55 4.29 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.71 0.00 2.83 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 47 D 7.98 4.80 0.00 2.78 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 48 N 8.50 4.70 0.00 2.88 2.99 0.00 0.00 6.92 7.34 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 49 I 7.60 4.92 1.88 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 1.40 0.52 0.89 0.00 0.00 50 T 8.87 4.71 4.32 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 1.50 0.00 0.00 51 V 8.42 4.60 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 0.48 0.00 0.00 0.83 0.00 0.00 52 V 8.87 4.30 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.93 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.67 4.37 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 0.80 0.00 0.00 1.11 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.97 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 0.00 0.00 0.00 0.00 57 A 8.48 4.07 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 58 Y 8.15 4.22 0.00 2.91 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 59 E 8.25 4.13 0.00 2.00 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 2.65 2.60 0.00 60 L 7.58 3.89 0.00 1.77 1.70 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.18 0.00 2.02 1.94 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 62 L 7.65 3.81 0.00 1.63 1.66 0.91 0.91 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 63 A 7.83 3.98 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 64 T 8.18 3.81 4.18 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 1.19 0.00 0.00 65 E 8.89 3.84 0.00 1.99 2.18 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 2.31 2.33 0.00 66 A 8.01 4.01 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 67 L 7.57 4.06 0.00 1.77 1.63 0.63 0.70 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 68 A 8.39 4.22 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 69 K 8.21 3.95 0.00 1.74 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.15 4.20 0.00 3.91 4.25 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 71 G 8.49 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 0.00 0.00 0.00 72 K 7.66 3.94 0.00 1.81 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.97 5.10 0.00 3.12 2.96 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 74 D 9.23 4.72 0.00 2.55 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 75 A 7.40 4.55 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 76 V 8.20 4.77 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.84 0.00 0.00 77 V 8.84 4.40 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.62 4.94 1.18 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 0.00 0.00 79 L 7.99 5.37 0.00 1.50 1.40 0.85 0.65 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 80 G 7.72 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 0.00 0.00 0.00 0.00 81 T 8.54 5.07 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 82 V 8.99 4.21 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 0.91 0.00 0.00 0.87 0.00 0.00 83 I 8.18 4.65 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.88 0.00 0.00 84 R 8.47 3.65 0.00 0.67 1.39 0.00 3.06 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.36 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 0.00 0.00 0.00 0.00 86 G 8.78 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 87 T 7.61 4.53 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 1.24 0.00 0.00 88 A 8.36 4.51 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 89 H 8.34 4.30 0.00 3.28 3.41 0.00 5.62 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 90 F 8.48 4.01 0.00 3.11 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 91 E 7.95 3.61 0.00 1.95 1.12 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 2.01 2.18 0.00 92 Y 7.38 4.32 0.00 3.00 2.90 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 93 V 7.67 3.66 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 1.04 0.00 0.00 0.77 0.00 0.00 94 A 7.78 4.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.62 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.75 4.25 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 98 S 8.16 4.14 0.00 3.73 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 99 N 8.53 4.43 0.00 2.79 2.83 0.00 0.00 6.96 8.43 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 0.00 100 G 7.72 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 0.00 101 L 8.15 4.00 0.00 2.02 1.81 1.06 0.94 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 0.00 102 A 8.15 3.99 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 0.00 103 S 8.34 3.96 0.00 3.96 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 0.00 104 V 7.76 3.55 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 1.03 0.00 0.00 0.98 0.00 0.00 105 A 7.80 4.31 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 0.00 106 Q 7.65 3.90 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.05 4.53 0.00 2.69 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 0.00 108 S 8.31 4.33 0.00 4.02 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 0.00 109 G 8.12 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 0.00 110 V 7.62 3.96 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 1.01 0.00 0.00 0.99 0.00 0.00 111 P 0.00 4.50 0.00 2.12 1.96 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.94 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 0.81 0.00 0.00 0.99 0.00 0.00 113 A 8.86 4.49 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 0.00 114 F 8.97 4.72 0.00 3.01 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 0.00 115 G 8.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.08 4.53 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 0.68 0.00 0.00 0.00 0.00 0.00 117 L 8.76 4.27 0.00 1.62 1.58 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.74 5.09 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 1.24 0.00 0.00 119 T 8.15 4.60 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 1.26 0.00 0.00 120 E 9.88 4.14 0.00 1.94 1.92 0.00 0.00 0.00 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 2.30 0.00 121 S 7.59 4.70 0.00 3.95 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 0.00 122 I 8.25 3.68 1.84 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 1.48 0.72 0.87 0.00 0.00 123 E 8.24 3.92 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.89 4.16 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.82 4.16 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 0.00 126 I 7.88 3.75 2.00 0.00 0.00 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 1.89 0.91 0.99 0.00 0.00 127 E 7.99 4.54 0.00 2.20 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 2.34 2.38 0.00 128 R 7.93 4.52 0.00 1.88 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.22 4.83 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 0.00 130 G 7.91 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 0.00 131 T 7.51 4.63 4.25 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 1.23 0.00 0.00 132 K 9.26 3.78 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 A 7.83 4.58 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 0.00 134 G 8.13 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 0.00 135 N 8.25 5.26 0.00 2.69 2.65 0.00 0.00 6.93 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.95 4.02 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.33 4.05 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 0.00 138 A 7.88 4.04 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 0.00 139 E 8.45 3.86 0.00 2.04 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 2.31 2.33 0.00 140 A 8.56 4.05 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 0.00 141 A 8.22 3.91 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 0.00 142 L 8.04 3.93 0.00 2.00 1.72 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.20 3.86 4.25 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 1.29 0.00 0.00 144 A 8.00 4.02 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 0.00 145 L 7.98 3.86 0.00 1.87 1.88 1.00 0.85 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 0.00 146 E 8.39 4.17 0.00 2.02 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 2.32 2.25 0.00 147 M 7.89 4.07 0.00 2.10 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.91 0.00 148 I 7.72 3.70 2.05 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 1.67 0.92 0.92 0.00 0.00 149 N 7.95 4.33 0.00 2.91 2.86 0.00 0.00 6.74 8.59 0.00 0.00 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 V 7.93 3.58 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 0.83 0.00 0.00 1.01 0.00 0.00 151 L 8.42 4.08 0.00 1.94 1.69 0.93 0.55 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 0.00 152 K 8.17 3.94 0.00 1.83 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.12 4.45 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 0.00 154 I 7.70 3.86 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 1.16 0.73 0.91 0.00 0.00