NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4177 8.3049 120.3487 54.8190 32.9630 175.1360 2 L 3.9521 8.4593 127.2192 54.5524 42.0898 176.0701 3 K 4.2447 8.7756 121.9184 57.4131 33.6325 176.1598 4 Q 4.6700 7.5795 119.3503 53.8202 32.2024 174.7657 5 V 4.0630 8.8695 126.0045 62.8264 32.9804 174.3979 6 E 4.9434 8.8092 126.5834 54.5506 32.3339 175.0077 7 I 5.1159 8.0776 124.3406 59.4918 41.2138 174.5788 8 F 5.8059 9.5824 123.8742 54.9988 42.9147 173.9778 9 T 5.3963 8.6480 111.9819 60.6713 72.1559 172.1926 10 D 4.8139 9.1656 121.1259 53.8684 45.2801 173.9782 11 G 4.7253 8.5074 107.9369 45.3288 0.0000 171.7716 12 S 4.9026 9.2399 114.8120 57.1697 66.5296 172.3170 13 C 5.0865 8.3251 122.9953 58.3739 33.9079 173.8649 14 L 4.2973 8.8166 125.2253 56.1446 41.9320 176.4325 15 G 4.0902 7.3647 105.0516 45.1454 0.0000 172.3925 16 N 4.9875 8.1789 115.2880 51.6735 39.2118 173.0015 17 P 4.5650 0.0000 0.0000 62.0429 33.4874 175.1344 18 G 4.0165 8.3822 106.4981 44.8873 0.0000 170.8843 19 P 4.9799 0.0000 0.0000 62.2012 32.5251 176.4757 20 G 4.3761 9.4911 111.0925 45.3468 0.0000 170.4942 21 G 4.8284 8.9297 106.1248 45.8034 0.0000 171.6084 22 Y 5.5186 7.9181 116.5205 55.7070 42.0604 174.1769 23 G 4.7400 9.3823 106.1338 44.8521 0.0000 171.5961 24 A 5.5963 9.3730 124.6626 50.3575 23.2576 174.8620 25 I 4.9951 9.3172 122.9630 59.3772 40.4862 174.4024 26 L 5.1466 9.4491 128.8592 53.4560 45.1585 175.2336 27 R 5.1047 9.6017 126.9367 54.9188 31.6747 174.3853 28 Y 5.1504 8.5377 125.3226 55.6128 42.2982 174.4592 29 R 3.8007 9.1791 125.6545 57.7855 28.0542 177.2810 30 G 4.1887 8.7269 112.5341 46.2945 0.0000 172.1067 31 R 4.5929 7.9173 117.3030 53.7701 33.4897 174.6646 32 E 5.0358 8.5734 120.7430 54.7195 31.0692 174.8896 33 K 4.4579 9.2242 127.5897 55.3295 34.3072 176.0264 34 T 5.1114 8.0918 119.9935 61.7709 71.3390 173.3263 35 F 5.0442 8.9506 124.6648 55.9510 42.6283 174.3549 36 S 5.0865 8.8991 113.5021 58.4172 65.0625 173.8665 37 A 4.4691 7.2774 126.6726 50.6379 22.7861 174.8986 38 G 4.7789 8.2760 106.1472 43.9169 0.0000 171.8856 39 Y 5.3163 8.9956 120.0727 55.8734 40.5686 177.0338 40 T 3.9856 8.9097 114.5716 64.6231 70.2010 173.7243 41 R 4.5416 7.8242 122.2249 55.9728 31.8332 173.4384 42 T 4.0648 9.0619 124.1232 61.3968 71.0204 172.0761 43 T 4.8492 8.0881 108.5436 59.0946 72.3429 174.1049 44 N 4.1826 8.7262 119.7888 57.1419 38.9966 176.4613 45 N 3.9938 7.9634 117.1369 56.5608 38.4681 177.4862 46 R 3.9163 7.7460 118.6171 59.2346 30.1004 179.0006 47 M 4.0828 7.9028 118.7861 58.2307 30.9903 178.6143 48 E 4.0785 8.4439 119.0784 59.2947 29.6742 179.3740 49 L 4.1625 7.8694 119.0230 57.7838 41.6843 179.0422 50 M 3.7780 8.1295 118.0892 58.2182 31.9291 177.8515 51 A 3.4832 7.7698 120.7869 55.2691 18.5729 179.5372 52 A 3.9307 7.4081 119.2477 55.1824 18.4209 179.8415 53 I 3.5286 7.5109 118.1537 64.6952 37.0350 178.9152 54 V 3.4211 7.1775 117.3216 65.5821 31.3717 177.7478 55 A 3.7416 7.3858 120.7737 55.0017 18.2981 179.6468 56 L 3.7603 7.7195 117.5332 57.8505 41.4771 179.4819 57 E 4.0407 8.3306 117.2794 58.5054 29.3978 178.5151 58 A 4.3074 7.2600 119.7825 52.6217 18.8375 177.4552 59 L 3.5764 7.0636 118.4769 54.5366 41.8280 177.1948 60 K 4.4072 8.6717 122.9680 56.5317 32.5689 175.7272 61 E 4.5895 7.5652 115.5859 54.7663 32.4245 174.1020 62 H 4.6186 8.3940 116.5095 55.9385 29.0218 174.9459 63 C 5.0278 8.9935 119.7646 57.9605 33.2531 172.5793 64 E 4.8959 8.5964 119.3438 55.0484 30.8706 175.5065 65 V 4.7645 8.9149 124.7834 60.8294 35.5978 174.0037 66 I 4.5800 8.4298 125.4469 58.9936 40.8855 173.5416 67 L 4.8291 8.1483 131.5931 53.0531 44.7647 174.7061 68 S 5.5312 8.4950 120.8878 55.9264 65.1091 172.4829 69 T 5.0375 8.5466 119.9162 61.1609 71.0377 173.0556 70 D 5.1507 8.7265 124.2204 52.4525 40.1189 175.6385 71 S 4.5470 8.0457 115.9269 58.7254 63.2281 174.5828 72 Q 3.8568 8.7552 130.2691 58.9647 28.9735 177.2790 73 Y 4.1081 7.5299 119.9661 60.5836 38.9392 177.9440 74 V 3.7076 8.1408 119.3526 65.9459 31.6062 177.6843 75 R 2.5100 7.1793 117.8995 59.0979 29.5824 178.3073 76 Q 3.2698 7.7747 117.9162 58.4371 28.4556 179.1956 77 G 2.7917 7.0205 106.2888 47.7170 0.0000 175.8446 78 I 3.5703 7.5881 122.3456 63.2687 37.0812 177.8827 79 T 4.1336 7.4432 109.2328 62.2385 69.4223 175.4768 80 Q 4.1797 7.4623 118.9418 56.4011 31.4854 177.3145 81 W 3.7604 6.9635 116.7544 58.8569 29.3925 178.2905 82 I 3.1826 6.8810 120.0088 64.7737 36.3014 177.3305 83 H 3.8491 7.9779 117.9806 59.7337 29.3544 176.5976 84 N 4.3341 7.7261 116.9670 55.4081 38.3505 177.4756 85 W 4.2102 7.4361 120.6884 59.5762 28.9017 178.5630 86 K 3.2907 7.3729 118.3524 59.2459 31.2405 179.4984 87 K 4.0332 7.2461 117.2440 58.3287 30.6678 178.5758 88 R 4.4747 7.4297 117.2559 54.9984 30.0154 176.7863 89 G 4.0161 7.7991 106.6907 46.3877 0.0000 173.9024 90 W 3.3806 8.7176 116.6943 57.6235 26.8052 174.2286 91 K 4.9846 7.3445 114.4387 54.6536 35.6638 176.8376 92 T 4.2971 8.8065 111.9673 60.2442 70.1517 175.7184 93 A 3.9288 8.4965 124.5084 55.1995 18.2856 178.1772 94 D 4.5037 8.0227 112.4654 53.5179 39.8230 177.1520 95 G 3.8377 8.2913 108.1391 45.8191 0.0000 173.5660 96 K 4.4911 7.5596 119.3712 53.4053 34.2666 173.8709 97 P 4.7587 0.0000 0.0000 63.0191 31.7639 177.2853 98 V 3.5821 8.2355 116.4370 60.7301 32.7847 175.6209 99 K 3.9827 8.3297 124.4941 57.3946 32.9943 176.0291 100 N 4.4304 9.0851 122.6889 54.0610 36.5703 176.5178 101 V 3.7079 7.5402 121.3233 65.0039 30.8342 177.2083 102 D 4.2457 8.0545 119.1414 56.6313 39.0464 178.7344 103 L 3.9389 7.7336 120.1885 56.8342 41.7371 179.2592 104 W 4.5617 8.1794 118.9456 60.0728 29.0508 178.6662 105 Q 3.6816 8.0654 118.0724 58.5502 27.6291 178.7185 106 R 3.8465 7.7198 119.8531 59.2136 30.1676 178.3677 107 L 4.0123 8.5115 120.5775 58.1121 42.0172 178.1124 108 D 4.6010 8.8028 118.3087 57.7030 40.9426 178.2324 109 A 4.0533 7.9198 119.3838 55.1903 18.7653 179.2378 110 A 4.1216 7.8372 118.7498 55.3319 18.4033 179.7256 111 L 4.1649 8.2450 117.7102 58.0261 41.5455 179.6786 112 G 3.8305 7.8788 103.6434 46.4371 0.0000 174.0513 113 Q 4.3846 7.9949 118.9627 56.4000 29.5494 174.3869 114 H 5.1142 7.6658 113.9499 54.0178 33.5358 172.8495 115 Q 4.4853 8.9187 118.9447 54.8884 29.8586 175.1080 116 I 4.6687 8.2767 124.9020 59.0406 40.1864 174.9984 117 K 4.4414 8.5199 127.5890 54.3317 34.6609 174.4583 118 W 4.6548 8.5933 127.1056 54.8667 31.0195 175.2277 119 E 4.1853 8.6319 126.0069 54.0625 31.3508 175.0974 120 W 5.1172 8.4379 128.2704 56.1705 29.0451 176.8923 121 V 4.2008 8.7231 119.0935 60.3401 33.2528 175.8069 122 K 4.4617 8.4662 121.5076 55.1365 33.2606 178.2438 123 G 4.1563 8.9981 112.6896 46.9851 0.0000 173.7748 124 H 4.7312 8.1808 111.8735 55.3160 28.9999 175.3519 125 A 4.5578 7.9158 123.7996 51.2275 18.9837 176.6841 126 G 3.9257 7.8634 109.6142 45.4337 0.0000 173.8200 127 H 4.5904 8.5149 117.1861 54.4410 30.9449 174.9459 128 P 4.4129 0.0000 0.0000 65.9259 31.0724 178.8859 129 E 3.7368 7.8045 117.2059 59.0974 29.2042 178.9288 130 N 4.4650 8.0262 116.1572 56.3975 38.8834 177.0064 131 E 3.9867 7.9655 119.9220 59.5790 29.5289 179.4939 132 R 3.9227 7.9865 118.5732 59.4946 30.0159 178.3744 133 C 4.2012 7.9624 116.3679 62.7395 28.0662 175.4431 134 D 4.4409 8.0919 119.5713 57.4819 40.9176 178.0216 135 E 3.9388 8.0939 119.4271 59.2771 29.5998 178.8065 136 L 3.9780 8.1974 118.9091 57.5680 41.5997 179.1234 137 A 3.9313 8.6540 121.2796 55.4461 18.1171 179.9407 138 R 3.8887 8.1628 115.2819 59.2846 30.3085 178.9346 139 A 4.1026 8.0323 120.2639 55.0902 18.4333 179.5438 140 A 3.8932 8.2215 119.2086 55.1700 18.2018 179.5323 141 A 4.2443 7.6881 117.7010 54.5965 18.6048 178.7583 142 M 4.3435 7.4865 115.1850 55.6751 33.7580 176.5979 143 N 4.9828 7.2781 116.6768 51.8216 39.8876 171.4109 144 P 4.3988 0.0000 0.0000 62.6278 32.5466 177.2110 145 T 4.4403 8.2714 110.1656 60.8997 70.4830 173.3170 146 L 4.6447 7.5618 122.0848 52.7914 44.6237 174.4601 147 E 4.8154 8.4761 120.5908 54.6258 30.9857 175.3393 148 D 4.7501 8.6327 125.9315 53.1799 40.4504 176.6615 149 T 3.9160 8.6101 123.5716 66.5945 68.6301 176.2201 150 G 4.2983 7.9817 105.6512 45.4857 0.0000 172.5490 151 Y 4.2367 7.5995 122.3802 57.0988 38.1966 174.7478 152 Q 4.2493 7.4698 125.1361 53.7255 32.0813 176.7203 153 V 3.7398 7.5014 120.4269 65.2965 32.7724 178.3314 154 E 4.4874 7.2104 122.0891 56.6103 28.4134 176.9789 155 V 3.6526 7.9273 126.4568 63.5315 31.6746 175.4453 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.42 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 L 8.46 3.95 0.00 1.78 1.80 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.78 4.24 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.36 7.81 4 Q 7.58 4.67 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.94 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 5 V 8.87 4.06 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 0.83 0.00 0.00 0.98 0.00 0.00 6 E 8.81 4.94 0.00 2.03 1.55 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 2.08 2.21 0.00 7 I 8.08 5.12 1.63 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.86 0.00 0.00 8 F 9.58 5.81 0.00 2.97 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 9 T 8.65 5.40 4.34 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 1.30 0.00 0.00 10 D 9.17 4.81 0.00 2.84 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 11 G 8.51 4.73 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 12 S 9.24 4.90 0.00 3.89 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 13 C 8.33 5.09 0.00 2.97 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 14 L 8.82 4.30 0.00 1.68 1.70 0.92 0.60 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 15 G 7.36 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.18 4.99 0.00 2.65 2.68 0.00 0.00 6.88 7.69 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 17 P 0.00 4.57 0.00 1.77 1.51 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 18 G 8.38 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 19 P 0.00 4.98 0.00 2.26 1.99 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 20 G 9.49 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 0.00 0.00 0.00 0.00 21 G 8.93 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.92 5.52 0.00 3.19 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 23 G 9.38 4.74 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 24 A 9.37 5.60 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 25 I 9.32 5.00 2.07 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 1.15 0.77 0.99 0.00 0.00 26 L 9.45 5.15 0.00 1.91 1.87 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.60 5.10 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 28 Y 8.54 5.15 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.18 3.80 0.00 1.79 1.02 0.00 3.07 0.00 0.00 2.65 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 30 G 8.73 4.19 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 0.00 31 R 7.92 4.59 0.00 2.01 1.80 0.00 3.07 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 32 E 8.57 5.04 0.00 1.96 1.85 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 2.19 2.34 0.00 33 K 9.22 4.46 0.00 1.75 1.30 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 34 T 8.09 5.11 4.16 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 1.28 0.00 0.00 35 F 8.95 5.04 0.00 3.29 3.20 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 36 S 8.90 5.09 0.00 3.82 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 37 A 7.28 4.47 1.01 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 38 G 8.28 4.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.00 5.32 0.00 2.90 2.87 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 40 T 8.91 3.99 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 1.28 0.00 0.00 41 R 7.82 4.54 0.00 1.78 1.83 0.00 3.28 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 42 T 9.06 4.06 4.14 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 1.21 0.00 0.00 43 T 8.09 4.85 4.16 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 1.27 0.00 0.00 44 N 8.73 4.18 0.00 2.82 2.81 0.00 0.00 6.87 6.71 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 45 N 7.96 3.99 0.00 2.37 1.50 0.00 0.00 7.05 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 46 R 7.75 3.92 0.00 1.90 1.86 0.00 3.40 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 47 M 7.90 4.08 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.79 0.00 48 E 8.44 4.08 0.00 2.24 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 2.41 2.54 0.00 49 L 7.87 4.16 0.00 1.69 1.45 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.13 3.78 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.51 0.00 51 A 7.77 3.48 1.49 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 0.00 0.00 0.00 52 A 7.41 3.93 1.49 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 0.00 0.00 0.00 53 I 7.51 3.53 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.84 0.00 0.00 54 V 7.18 3.42 1.60 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 0.34 0.00 0.00 0.71 0.00 0.00 55 A 7.39 3.74 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 56 L 7.72 3.76 0.00 1.63 1.64 0.92 0.63 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 57 E 8.33 4.04 0.00 1.82 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 2.31 2.42 0.00 58 A 7.26 4.31 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 59 L 7.06 3.58 0.00 1.58 1.37 0.49 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.67 4.41 0.00 1.92 1.91 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.59 7.81 61 E 7.57 4.59 0.00 2.02 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 2.28 2.34 0.00 62 H 8.39 4.62 0.00 3.09 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.99 5.03 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.60 4.90 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 65 V 8.91 4.76 1.85 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 0.74 0.00 0.00 0.72 0.00 0.00 66 I 8.43 4.58 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.10 0.77 0.00 0.00 67 L 8.15 4.83 0.00 1.10 0.62 0.60 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.50 5.53 0.00 3.71 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 69 T 8.55 5.04 4.45 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 1.68 0.00 0.00 70 D 8.73 5.15 0.00 2.98 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 71 S 8.05 4.55 0.00 4.01 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 72 Q 8.76 3.86 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 73 Y 7.53 4.11 0.00 3.26 3.25 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 74 V 8.14 3.71 2.24 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 1.01 0.00 0.00 1.03 0.00 0.00 75 R 7.18 2.51 0.00 0.67 1.28 0.00 2.21 0.00 0.00 2.58 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 76 Q 7.77 3.27 0.00 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 77 G 7.02 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 0.00 0.00 0.00 78 I 7.59 3.57 1.49 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.05 0.43 0.00 0.00 79 T 7.44 4.13 4.03 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 0.00 0.00 0.00 1.05 0.00 0.00 80 Q 7.46 4.18 0.00 1.36 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.90 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 81 W 6.96 3.76 0.00 1.78 1.74 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 82 I 6.88 3.18 1.71 0.00 0.00 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 1.40 0.47 0.87 0.00 0.00 83 H 7.98 3.85 0.00 3.13 3.20 0.00 5.86 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 84 N 7.73 4.33 0.00 2.56 2.74 0.00 0.00 7.11 7.68 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 85 W 7.44 4.21 0.00 2.84 2.20 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 86 K 7.37 3.29 0.00 1.70 1.71 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 0.78 7.81 87 K 7.25 4.03 0.00 1.56 1.79 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.35 7.81 88 R 7.43 4.47 0.00 1.91 1.91 0.00 3.21 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 89 G 7.80 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 90 W 8.72 3.38 0.00 3.44 3.20 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 91 K 7.34 4.98 0.00 1.86 1.63 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.35 7.81 92 T 8.81 4.30 4.19 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 1.08 0.00 0.00 93 A 8.50 3.93 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 94 D 8.02 4.50 0.00 2.76 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 95 G 8.29 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 96 K 7.56 4.49 0.00 1.72 1.69 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.49 7.81 97 P 0.00 4.76 0.00 1.87 1.94 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 98 V 8.24 3.58 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 0.09 0.00 0.00 0.28 0.00 0.00 99 K 8.33 3.98 0.00 1.75 1.85 0.00 2.08 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.44 7.81 100 N 9.09 4.43 0.00 3.23 2.89 0.00 0.00 6.87 7.68 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 0.00 101 V 7.54 3.71 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 0.78 0.00 0.00 0.68 0.00 0.00 102 D 8.05 4.25 0.00 2.82 2.92 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 0.00 103 L 7.73 3.94 0.00 1.67 1.55 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.18 4.56 0.00 3.53 3.69 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 0.00 0.00 0.00 105 Q 8.07 3.68 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.43 0.00 106 R 7.72 3.85 0.00 1.89 2.01 0.00 3.06 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 107 L 8.51 4.01 0.00 1.82 2.05 1.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.80 4.60 0.00 3.34 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 0.00 109 A 7.92 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.12 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 0.00 111 L 8.25 4.16 0.00 2.10 1.93 1.31 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.99 4.38 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 114 H 7.67 5.11 0.00 2.86 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.92 4.49 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 116 I 8.28 4.67 1.64 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 1.13 0.57 -0.19 0.00 0.00 117 K 8.52 4.44 0.00 1.68 1.60 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.27 7.81 118 W 8.59 4.65 0.00 2.72 1.74 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 0.00 119 E 8.63 4.19 0.00 1.82 1.76 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 2.17 2.21 0.00 120 W 8.44 5.12 0.00 3.26 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 0.00 121 V 8.72 4.20 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 0.86 0.00 0.00 1.06 0.00 0.00 122 K 8.47 4.46 0.00 1.69 1.61 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.42 7.81 123 G 9.00 4.16 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 0.00 0.00 0.00 124 H 8.18 4.73 0.00 3.30 3.42 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.92 4.56 1.10 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 0.00 126 G 7.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.51 4.59 0.00 3.28 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.41 0.00 2.07 2.06 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 129 E 7.80 3.74 0.00 1.16 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 1.47 1.90 0.00 130 N 8.03 4.46 0.00 2.88 2.97 0.00 0.00 7.15 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 0.00 131 E 7.97 3.99 0.00 2.10 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 2.35 2.34 0.00 132 R 7.99 3.92 0.00 1.86 2.01 0.00 3.08 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 7.96 4.20 0.00 3.32 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 0.00 134 D 8.09 4.44 0.00 3.02 2.92 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 0.00 135 E 8.09 3.94 0.00 2.31 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 2.35 0.00 136 L 8.20 3.98 0.00 1.91 1.70 0.95 0.56 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 0.00 137 A 8.65 3.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.16 3.89 0.00 1.98 2.02 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 139 A 8.03 4.10 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 0.00 140 A 8.22 3.89 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 0.00 141 A 7.69 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.34 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 143 N 7.28 4.98 0.00 2.60 2.64 0.00 0.00 7.07 7.69 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 0.00 144 P 0.00 4.40 0.00 2.24 2.15 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.27 4.44 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 146 L 7.56 4.64 0.00 0.84 1.35 0.65 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.48 4.82 0.00 1.96 1.90 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 2.29 2.35 0.00 148 D 8.63 4.75 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.61 3.92 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 1.23 0.00 0.00 150 G 7.98 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 0.00 0.00 0.00 0.00 151 Y 7.60 4.24 0.00 3.06 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 0.00 152 Q 7.47 4.25 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 153 V 7.50 3.74 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 0.74 0.00 0.00 1.04 0.00 0.00 154 E 7.21 4.49 0.00 1.84 1.49 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 2.27 2.23 0.00 155 V 7.93 3.65 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 0.68 0.00 0.00 0.87 0.00 0.00