NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4529 8.3044 118.1946 55.1514 32.5590 174.3025 1 V 4.2451 7.8932 118.5983 60.7182 34.4033 173.4498 2 L 4.3433 8.3236 127.5417 53.8404 43.5783 177.0011 3 S 4.4549 8.7023 117.6749 57.8846 65.0845 175.0707 4 E 4.2576 8.9218 122.9747 59.7122 29.3367 179.3275 5 G 3.6146 8.0799 105.1943 47.6834 0.0000 175.4485 6 E 3.8994 8.1251 120.8481 59.0737 29.3913 179.3786 7 W 4.3606 8.1378 118.9774 60.0243 29.0974 178.6075 8 Q 4.1235 8.6732 118.3521 58.8815 27.9827 178.8064 9 L 4.0693 7.8977 119.6893 57.6533 41.6729 179.6607 10 V 3.7083 7.8405 118.1398 66.2632 31.6095 178.1017 11 L 4.3284 8.5033 118.4698 57.3602 41.0199 178.9419 12 H 4.2507 8.5159 119.1596 59.2471 29.8814 177.6252 13 V 3.4023 7.8708 120.8089 64.2448 31.3744 178.1630 14 W 4.0119 8.5630 128.9897 60.1234 30.2517 177.7345 15 A 3.9830 7.9783 120.2668 54.8861 18.0116 179.5522 16 K 3.9329 7.3431 116.8243 59.4735 32.0686 179.4311 17 V 2.8356 7.0918 118.4326 66.0004 31.0079 177.7012 18 E 3.8333 7.5636 115.4157 58.0518 29.3058 178.5012 19 A 4.2099 7.6321 120.4958 53.6244 19.8585 177.6466 20 D 4.6652 7.8919 116.8273 52.0073 42.6334 175.5065 21 V 3.4550 7.9084 123.0353 65.5659 32.0788 176.7787 22 A 4.0710 7.9938 120.1820 55.0862 18.3154 179.6984 23 G 3.7055 8.2709 105.5720 47.7728 0.0000 175.7422 24 H 4.1777 8.2739 118.9296 58.2745 28.6987 177.9933 25 G 3.7813 8.3894 107.9326 48.0097 0.0000 175.5935 26 Q 4.0002 8.0678 120.6603 58.8750 28.7867 178.7700 27 D 4.3195 8.0626 119.7021 57.4097 40.7032 179.1140 28 I 3.6012 7.8388 120.2737 64.4202 37.0490 178.5771 29 F 3.3722 8.1438 118.5775 60.0592 38.5305 177.9582 30 I 3.7233 7.8780 119.7889 64.1957 36.8275 178.3546 31 R 3.7691 7.9770 119.5818 59.2168 29.9054 178.1728 32 L 3.8612 7.8209 120.2661 58.4440 41.9372 179.1342 33 F 4.6425 8.2232 117.8555 60.4173 38.5518 177.8684 34 K 4.0758 8.1836 117.7812 59.1842 32.0222 179.1039 35 S 4.3222 8.0872 114.6512 60.0835 64.4061 174.5281 36 H 4.7838 8.1404 118.0270 52.1992 29.4113 171.9735 37 P 4.7193 0.0000 0.0000 64.5974 31.4478 177.7291 38 E 4.1226 8.2613 116.3532 59.4747 29.4094 179.1311 39 T 3.8299 8.2643 111.2897 64.3885 68.8142 176.2603 40 L 3.8057 8.0164 123.4596 58.0016 41.7753 178.6474 41 E 4.1467 7.9482 117.3383 58.7214 29.4450 178.5843 42 K 4.4918 8.1256 116.8617 56.5582 32.8863 177.4246 43 F 4.6241 8.1741 119.4956 55.5563 39.4777 175.4146 44 D 4.3917 8.5908 124.4801 57.4937 40.8050 178.6234 45 R 3.9180 7.6610 116.4881 57.6057 30.4042 176.9454 46 F 5.0556 7.8038 115.5910 56.8768 40.7078 176.8081 47 K 4.1434 8.1230 119.2409 58.5779 32.5572 177.3852 48 H 4.4655 8.1854 114.4615 56.9018 29.1813 175.5827 49 L 4.0838 7.6635 121.8549 54.9918 41.7006 176.8031 50 K 4.3439 9.3573 123.7260 57.3570 33.6184 177.1277 51 T 4.7480 7.3013 107.3368 58.8396 73.2315 174.2144 52 E 3.9199 8.6970 121.4089 59.3965 29.5403 178.6435 53 A 4.0091 8.0161 120.3058 55.4137 18.2008 179.3513 54 E 3.9568 7.8748 115.4967 59.6604 29.9130 179.1899 55 M 4.1838 8.1422 118.7927 58.4301 31.8499 179.0120 56 K 3.9932 8.3554 117.4908 58.8340 32.2735 178.3503 57 A 4.4654 7.4249 118.3639 51.3870 19.4493 177.0104 58 S 4.3097 7.4389 113.8547 57.5563 62.9825 174.7960 59 E 4.0594 8.8666 128.1736 59.4873 29.2671 178.9615 60 D 4.4475 8.1116 118.7108 57.2151 40.9385 178.3399 61 L 3.3464 8.0522 120.9692 57.7006 42.0278 178.8848 62 K 3.8488 7.8885 119.3450 59.4782 32.1203 178.9576 63 K 4.0137 8.2507 118.8263 59.5747 31.8820 178.7701 64 H 4.2554 8.5226 118.7978 59.3081 29.7298 177.5277 65 G 3.6039 8.1078 107.6205 47.7425 0.0000 175.8745 66 V 3.6178 7.6736 120.0235 66.0291 31.5827 178.1749 67 T 3.8802 7.9038 115.5453 66.6490 68.3351 176.6257 68 V 3.6600 7.9387 119.9883 66.2857 31.6747 178.1894 69 L 4.2826 8.3155 118.7273 57.9718 41.5232 179.6708 70 T 4.0063 8.3572 115.9453 66.6172 68.2507 176.5230 71 A 4.0444 8.1584 122.7504 54.9960 18.3037 179.5144 72 L 3.7711 8.2292 119.1031 58.1101 42.1646 179.3258 73 G 3.3607 8.6892 105.9282 47.7319 0.0000 175.5051 74 A 4.0402 7.7145 121.8632 54.8187 18.7563 179.6321 75 I 3.8033 7.3861 118.5306 64.5620 37.2439 178.5817 76 L 3.9910 7.8374 120.0762 57.6756 41.1847 179.4436 77 K 4.0287 7.6692 116.5044 58.0989 32.3377 178.8290 78 K 3.9524 7.7730 118.4654 56.3569 32.2675 176.7857 79 K 2.0000 8.3114 117.9918 56.4766 29.8751 175.8562 80 G 3.9896 8.0359 106.2867 45.8160 0.0000 174.3282 81 H 4.5673 7.3421 119.3018 55.3149 27.5040 174.8962 82 H 5.1531 7.3261 111.1505 54.1594 29.6491 175.9843 83 E 3.9847 8.6045 121.7657 60.3584 28.9457 179.1458 84 A 4.1453 7.8968 118.6230 55.0862 18.9157 179.0875 85 E 4.0837 8.1614 116.7949 59.3302 29.5998 178.9578 86 L 4.0579 8.1309 120.3116 57.3554 42.1281 179.0520 87 K 3.9698 7.7091 117.7996 59.0388 32.0905 177.5131 88 P 4.3429 0.0000 0.0000 65.5681 31.2657 178.1971 89 L 4.0257 7.5121 117.6902 57.9797 41.9916 178.7307 90 A 4.1987 8.5250 121.2156 55.3017 18.3307 179.4437 91 Q 3.8864 8.2612 118.3389 59.3523 29.0880 178.5741 92 S 4.0494 8.3189 115.3895 61.6527 63.0763 176.0788 93 H 4.1672 8.5659 119.4706 57.9880 28.2613 177.6420 94 A 2.7693 7.9380 122.3705 54.2051 18.4331 178.6163 95 T 4.0930 7.5856 108.0611 61.6244 68.7525 174.7699 96 K 4.1507 7.5244 119.9399 58.8410 33.1197 177.0248 97 H 4.2846 7.9413 114.4701 56.2386 29.4635 175.4998 98 K 3.2756 7.5025 116.8831 57.0149 28.4913 175.5622 99 I 4.3389 7.9664 119.2260 58.7659 38.5889 175.0407 100 P 4.5994 0.0000 0.0000 62.2041 32.3937 177.2797 101 I 3.5824 7.9571 120.6542 64.7241 37.0029 178.5452 102 K 3.6808 7.9608 119.7433 59.7999 31.8860 178.1659 103 Y 4.1426 8.0385 116.8372 60.6107 37.7826 178.0047 104 L 4.2084 7.8520 119.7808 57.5255 41.7772 179.0702 105 E 4.0053 8.0268 118.4933 59.3865 29.4562 179.2293 106 F 4.4941 7.7208 117.6689 60.8310 38.9087 177.5972 107 I 3.8051 8.0784 118.0120 63.6922 37.7302 178.0469 108 S 4.1448 8.1782 116.5133 61.6233 62.6324 176.2045 109 E 4.0112 8.4470 121.7054 59.2353 29.3615 178.7431 110 A 3.9772 7.9718 120.7859 55.0384 18.3416 179.7231 111 I 3.6398 8.0135 118.5597 64.6084 37.1750 178.7079 112 I 3.7830 7.8609 120.6824 64.6073 36.9431 177.9589 113 H 4.1366 8.4870 119.2135 59.3483 29.6250 177.5681 114 V 3.5804 7.8519 120.0628 65.9024 31.2764 178.0542 115 L 3.7793 7.9353 118.9618 57.8085 41.0548 178.8574 116 H 4.3432 7.9335 117.4155 59.4520 29.8556 177.2724 117 S 4.1771 7.8560 116.0535 61.4297 62.8027 176.2901 118 R 4.1343 7.9574 119.2452 57.2577 31.1348 176.3768 119 H 5.0322 8.3818 116.2967 53.9704 29.6401 173.3229 120 P 4.2989 0.0000 0.0000 65.8525 31.4992 178.8043 121 G 3.7091 8.0897 106.0578 47.1592 0.0000 173.6381 122 N 5.0503 8.2429 115.5781 52.9801 39.6538 174.5721 123 F 4.9428 7.8326 119.6589 56.4962 39.7536 174.5844 124 G 3.9178 7.6826 108.7390 44.0497 0.0000 172.0633 125 A 3.8759 8.3964 120.5974 55.3338 18.3918 179.7942 126 D 4.1752 7.9467 116.6574 57.4559 40.9649 178.7232 127 A 3.9316 7.7614 120.7972 55.0534 18.3159 179.3285 128 Q 3.1553 7.7862 118.3897 58.8069 28.9948 178.5562 129 G 3.5017 8.1787 106.9040 47.7596 0.0000 175.5728 130 A 3.8630 7.9071 123.2495 54.9810 18.3735 179.4547 131 M 3.9748 8.2225 116.9015 58.5831 32.2363 177.9482 132 N 4.3044 8.4429 117.6506 56.5534 39.1266 176.7583 133 K 3.8384 8.1617 120.8264 59.4295 32.2625 178.5774 134 A 3.8248 8.0288 121.1883 55.1595 18.1651 179.6156 135 L 4.1349 8.1426 117.4488 57.7167 41.6463 179.4644 136 E 3.9682 8.5823 119.1827 59.1067 29.3420 179.0476 137 L 3.9359 8.1111 120.4360 58.0899 42.1836 178.4863 138 F 4.1423 8.2433 120.5843 61.7594 39.1760 177.4035 139 R 3.5084 8.2792 117.5498 58.9065 29.7927 179.0507 140 K 3.8575 8.3135 119.8435 59.6079 32.3407 178.7245 141 D 4.3628 8.2031 119.2405 57.2274 40.6435 178.8441 142 I 3.5214 7.5942 120.3741 63.9735 36.9605 178.1882 143 A 3.7208 8.0144 121.8583 55.0149 18.1427 179.5710 144 A 3.9532 7.9224 119.2879 55.2476 18.3926 180.0886 145 K 4.0104 8.0018 116.7283 59.5432 32.1094 178.9634 146 Y 4.3844 8.4492 117.6562 61.2523 37.9799 178.8400 147 K 3.9549 8.1714 120.1385 59.7564 32.1142 178.6300 148 E 4.0414 7.9981 117.4270 59.1992 29.4661 178.6610 149 L 4.3353 7.9511 116.8675 55.2173 42.0363 177.7371 150 G 4.0039 7.9131 106.9775 45.4040 0.0000 173.1259 151 Y 4.3617 8.3136 119.5957 58.9146 40.0087 177.7260 152 Q 3.9554 8.0291 117.8096 56.6705 27.5923 173.8123 153 G 2.8403 5.7632 109.9120 45.1192 0.0000 174.2590 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 0 M 8.30 4.45 0.00 2.12 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 2.47 2.54 0.00 1 V 7.89 4.25 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.34 0.00 0.97 0.68 0.59 -0.29 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 3 S 8.70 4.45 0.00 4.06 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 4 E 8.92 4.26 0.00 2.19 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 0.00 2.44 2.63 0.00 5 G 8.08 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 6 E 8.13 3.90 0.00 1.94 1.71 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 2.21 2.26 0.00 7 W 8.14 4.36 0.00 3.59 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 8 Q 8.67 4.12 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 9 L 7.90 4.07 0.00 1.86 1.74 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.84 3.71 2.43 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 1.18 0.00 0.00 0.92 0.00 0.00 11 L 8.50 4.33 0.00 1.85 1.81 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.52 4.25 0.00 3.41 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.40 2.42 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 1.03 0.00 0.00 0.86 0.00 0.00 14 W 8.56 4.01 0.00 3.61 3.17 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 0.00 15 A 7.98 3.98 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 16 K 7.34 3.93 0.00 1.40 1.70 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 17 V 7.09 2.84 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 0.00 0.00 -0.01 0.00 0.00 0.44 0.00 0.00 18 E 7.56 3.83 0.00 1.99 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 2.20 2.06 0.00 19 A 7.63 4.21 1.28 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 0.00 0.00 0.00 20 D 7.89 4.67 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.91 3.46 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 1.08 0.00 0.00 0.84 0.00 0.00 22 A 7.99 4.07 1.31 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 0.00 0.00 0.00 23 G 8.27 3.71 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 0.00 0.00 0.00 24 H 8.27 4.18 0.00 3.26 3.25 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.39 3.78 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 26 Q 8.07 4.00 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 27 D 8.06 4.32 0.00 2.75 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 28 I 7.84 3.60 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 1.44 0.63 0.52 0.00 0.00 29 F 8.14 3.37 0.00 2.96 2.47 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 30 I 7.88 3.72 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.91 0.00 0.00 31 R 7.98 3.77 0.00 1.91 2.05 0.00 3.00 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 32 L 7.82 3.86 0.00 1.56 1.34 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.22 4.64 0.00 3.08 2.93 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 34 K 8.18 4.08 0.00 1.78 1.84 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.67 7.81 35 S 8.09 4.32 0.00 3.65 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 36 H 8.14 4.78 0.00 2.93 2.86 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.72 0.00 2.16 2.12 0.00 3.84 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 2.10 2.00 0.00 38 E 8.26 4.12 0.00 2.30 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 2.31 2.54 0.00 39 T 8.26 3.83 4.48 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 0.91 0.00 0.00 40 L 8.02 3.81 0.00 1.52 1.74 -0.20 0.81 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 41 E 7.95 4.15 0.00 2.28 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 0.00 2.39 2.40 0.00 42 K 8.13 4.49 0.00 1.82 1.70 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.72 2.00 7.81 43 F 8.17 4.62 0.00 3.33 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 44 D 8.59 4.39 0.00 2.58 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 45 R 7.66 3.92 0.00 0.89 1.10 0.00 3.03 0.00 0.00 2.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 46 F 7.80 5.06 0.00 2.91 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 47 K 8.12 4.14 0.00 1.88 2.22 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 48 H 8.19 4.47 0.00 3.32 3.45 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.66 4.08 0.00 1.53 1.58 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.36 4.34 0.00 1.68 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.50 7.81 51 T 7.30 4.75 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 52 E 8.70 3.92 0.00 2.06 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 0.00 2.37 2.38 0.00 53 A 8.02 4.01 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 54 E 7.87 3.96 0.00 2.15 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 55 M 8.14 4.18 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 56 K 8.36 3.99 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.44 7.81 57 A 7.42 4.47 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 58 S 7.44 4.31 0.00 3.93 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 59 E 8.87 4.06 0.00 2.04 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 2.41 2.35 0.00 60 D 8.11 4.45 0.00 2.92 2.98 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 61 L 8.05 3.35 0.00 1.17 1.57 -0.12 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.89 3.85 0.00 1.87 1.93 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.25 4.01 0.00 2.02 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.78 7.81 64 H 8.52 4.26 0.00 3.44 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.11 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 66 V 7.67 3.62 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 1.12 0.00 0.00 0.97 0.00 0.00 67 T 7.90 3.88 4.44 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 1.28 0.00 0.00 68 V 7.94 3.66 2.42 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 1.27 0.00 0.00 1.03 0.00 0.00 69 L 8.32 4.28 0.00 1.82 1.89 0.93 0.97 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 70 T 8.36 4.01 4.48 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 1.26 0.00 0.00 71 A 8.16 4.04 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 72 L 8.23 3.77 0.00 1.64 1.65 0.26 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.69 3.36 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 0.00 74 A 7.71 4.04 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 75 I 7.39 3.80 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.89 0.00 0.00 76 L 7.84 3.99 0.00 1.21 1.55 -0.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 4.03 0.00 1.67 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.52 7.81 78 K 7.77 3.95 0.00 1.89 1.80 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.62 1.83 7.81 79 K 8.31 2.00 0.00 1.28 0.74 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.61 7.81 80 G 8.04 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 0.00 0.00 0.00 81 H 7.34 4.57 0.00 3.20 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.33 5.15 0.00 3.29 3.45 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.60 3.98 0.00 2.10 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 2.43 2.50 0.00 84 A 7.90 4.15 1.31 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 0.00 0.00 0.00 85 E 8.16 4.08 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 86 L 8.13 4.06 0.00 2.00 1.67 1.04 0.54 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 87 K 7.71 3.97 0.00 2.07 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.61 7.81 88 P 0.00 4.34 0.00 2.31 2.34 0.00 3.85 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 2.12 2.05 0.00 89 L 7.51 4.03 0.00 1.99 1.93 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.53 4.20 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 91 Q 8.26 3.89 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.32 4.05 0.00 3.98 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 93 H 8.57 4.17 0.00 3.60 3.63 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.94 2.77 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 95 T 7.59 4.09 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 1.13 0.00 0.00 96 K 7.52 4.15 0.00 1.60 1.68 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.19 1.35 7.81 97 H 7.94 4.28 0.00 3.03 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.50 3.28 0.00 1.78 1.76 0.00 1.38 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.21 7.81 99 I 7.97 4.34 2.11 0.00 0.00 0.89 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 0.98 1.15 0.00 0.00 100 P 0.00 4.60 0.00 1.97 2.03 0.00 3.19 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.42 0.00 101 I 7.96 3.58 1.81 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.26 0.81 0.00 0.00 102 K 7.96 3.68 0.00 1.73 1.64 0.00 1.48 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 0.72 7.81 103 Y 8.04 4.14 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.85 4.21 0.00 1.82 1.78 0.69 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.03 4.01 0.00 2.07 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 2.31 2.44 0.00 106 F 7.72 4.49 0.00 3.16 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 0.00 107 I 8.08 3.81 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 1.02 0.00 0.00 108 S 8.18 4.14 0.00 4.18 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 0.00 109 E 8.45 4.01 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 110 A 7.97 3.98 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 0.00 111 I 8.01 3.64 2.04 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 1.56 0.58 1.00 0.00 0.00 112 I 7.86 3.78 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 1.11 0.00 0.00 113 H 8.49 4.14 0.00 3.32 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.85 3.58 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 1.00 0.00 0.00 0.97 0.00 0.00 115 L 7.94 3.78 0.00 0.39 0.65 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.93 4.34 0.00 3.45 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.18 0.00 3.80 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 0.00 118 R 7.96 4.13 0.00 1.64 1.62 0.00 3.11 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 119 H 8.38 5.03 0.00 3.17 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.21 2.27 0.00 3.74 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 2.06 1.94 0.00 121 G 8.09 3.71 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 0.00 0.00 0.00 122 N 8.24 5.05 0.00 2.78 2.92 0.00 0.00 6.64 7.07 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 0.00 123 F 7.83 4.94 0.00 2.95 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 0.00 124 G 7.68 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 0.00 125 A 8.40 3.88 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 0.00 126 D 7.95 4.18 0.00 2.64 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 0.00 127 A 7.76 3.93 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 0.00 128 Q 7.79 3.16 0.00 1.19 1.87 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 2.24 2.30 0.00 129 G 8.18 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.86 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 0.00 131 M 8.22 3.97 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.87 0.00 132 N 8.44 4.30 0.00 2.91 2.92 0.00 0.00 6.81 7.61 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 0.00 133 K 8.16 3.84 0.00 1.93 1.72 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 8.03 3.82 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 0.00 135 L 8.14 4.13 0.00 1.76 1.80 0.97 0.71 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 0.00 136 E 8.58 3.97 0.00 2.13 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 0.00 2.34 2.62 0.00 137 L 8.11 3.94 0.00 1.79 1.96 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.24 4.14 0.00 3.12 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 0.00 139 R 8.28 3.51 0.00 1.97 1.85 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.96 0.00 140 K 8.31 3.86 0.00 1.76 1.99 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.20 4.36 0.00 2.70 2.69 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 0.00 142 I 7.59 3.52 1.26 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.01 0.10 0.00 0.00 143 A 8.01 3.72 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 0.00 144 A 7.92 3.95 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 0.00 145 K 8.00 4.01 0.00 2.06 1.95 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.45 4.38 0.00 3.12 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 0.00 147 K 8.17 3.95 0.00 2.05 1.97 0.00 1.63 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 1.45 1.49 7.81 148 E 8.00 4.04 0.00 2.19 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 0.00 2.36 2.49 0.00 149 L 7.95 4.34 0.00 1.77 1.71 0.98 0.91 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 0.00 150 G 7.91 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 0.00 151 Y 8.31 4.36 0.00 2.77 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 0.00 0.00 0.00 0.00 152 Q 8.03 3.96 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 153 G 5.76 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 0.00 0.00 0.00