NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1724 8.2493 123.4707 52.1098 20.0723 177.7145 5 V 3.3054 7.3448 118.6913 61.4202 32.0383 174.3686 6 L 4.6281 8.4139 127.2983 53.0372 44.9363 176.3534 7 Y 4.5387 8.8247 125.1860 56.4993 40.6349 174.4632 8 K 4.9231 8.2598 120.9084 54.5394 34.9663 176.0610 9 S 4.6141 9.5094 122.6915 58.2685 62.9321 173.9059 10 N 4.6692 8.7318 119.3849 55.5887 39.3825 176.2666 11 H 5.1665 7.6709 114.0478 56.3877 28.1805 175.6480 12 N 5.2015 8.9691 120.6268 54.0728 39.1318 174.3941 13 V 4.3638 8.0324 118.8869 61.6691 33.3633 174.4780 14 V 4.6510 8.6504 129.0750 62.1173 32.3462 174.3200 15 Y 4.9783 8.5477 125.2259 56.2413 42.2549 174.4458 16 S 4.8256 8.7308 114.7499 58.1837 64.3163 173.0271 17 C 4.6859 9.1233 125.0850 57.5923 29.5513 172.2806 18 K 5.0630 8.0265 122.1309 55.1922 34.0575 174.9570 19 Y 5.1630 9.4463 121.6349 56.5380 42.3810 174.0601 20 H 5.3928 9.3305 120.6254 54.5739 30.9116 174.0465 21 I 5.1988 9.3282 124.6463 59.5656 40.6817 175.0254 22 V 5.1738 9.2584 125.5287 60.5591 34.9892 173.7063 23 W 5.6346 8.1139 123.2080 55.2670 31.7765 173.3398 24 C 5.3826 8.7536 117.7241 57.3196 31.2808 171.8846 25 P 5.1844 0.0000 0.0000 61.8758 32.7921 175.8760 26 K 3.8572 8.7857 122.2237 58.4721 32.3440 176.2757 27 Y 3.9555 8.6991 120.1884 58.1517 35.6115 169.9119 28 R 3.9746 8.4071 117.6333 56.9788 29.2014 176.3787 29 R 4.0712 8.1532 115.5011 56.1942 31.1868 176.6530 30 K 4.6475 8.3452 124.9332 55.5714 30.9617 177.3996 31 V 4.0077 7.3282 111.3130 62.7421 33.5037 178.2800 32 L 4.4085 7.6666 121.6590 53.8823 39.3322 175.7672 33 V 4.6889 7.2628 114.2420 59.8446 37.5165 177.0444 34 G 3.7640 8.5493 110.0458 45.9025 0.0000 175.3534 35 A 4.0283 8.8478 122.5791 55.3929 17.9534 179.6204 36 V 2.9631 7.2126 115.6826 65.8598 31.5871 177.5250 37 E 3.9128 7.8661 118.9286 59.5501 29.4506 178.5919 38 M 4.0432 8.0886 118.4920 58.7240 32.1278 179.0564 39 R 4.0380 8.0848 118.0577 58.9890 30.1637 178.7749 40 L 4.0756 8.3061 120.4759 58.4142 42.1305 179.3052 41 K 4.0227 8.1239 118.2411 59.4287 31.9220 179.2990 42 E 4.0060 8.2241 118.8942 59.5532 29.4362 179.4119 43 I 3.7994 8.3578 120.2094 64.5629 37.1585 178.6069 44 I 3.8826 8.1887 120.7748 64.3642 36.9197 178.5280 45 Q 4.0868 8.1472 119.0440 59.1081 28.5761 178.6893 46 E 4.0240 8.2855 119.6171 59.3420 29.4785 179.6077 47 V 3.6468 7.9894 118.1233 65.8815 31.3014 177.8901 48 A 4.1057 8.3746 120.5593 55.1891 18.1468 179.4972 49 K 3.9496 8.0332 118.0410 59.6518 32.0416 178.6293 50 E 3.9694 8.0823 118.5585 58.7996 29.6484 177.7957 51 L 4.2064 8.1507 116.3724 53.4185 42.1889 176.5407 52 R 3.7253 7.3525 116.7209 57.3232 28.0261 176.0587 53 V 4.1900 8.5819 117.6025 61.1885 33.4421 175.0212 54 E 4.2544 8.7112 129.4885 55.1058 30.2077 175.4797 55 I 4.2083 8.2101 129.1193 61.0823 36.6592 176.4732 56 I 3.9793 8.8328 129.1345 63.9289 37.3341 176.6648 57 E 4.8035 7.8404 119.4951 55.2105 34.3902 174.3553 58 M 4.9684 8.2632 119.2533 55.1577 34.8386 173.6244 59 Q 4.7845 8.9861 124.3177 54.7092 32.6785 173.9615 60 T 4.8079 8.3940 109.6980 59.8650 71.7198 173.7586 61 D 4.5133 7.9244 120.8547 53.1352 41.2025 172.8840 62 K 4.2241 7.8421 124.0712 55.9195 31.2025 176.7892 63 D 5.0988 7.8192 116.4434 52.3383 40.6281 174.5431 64 H 4.8034 7.4973 113.2341 55.5654 31.8953 172.0746 65 I 4.5875 7.7232 118.7044 59.2502 41.2441 173.2003 66 H 5.2081 9.2202 129.3418 54.4679 32.1682 172.5405 67 I 5.0010 9.0565 126.7772 59.3579 40.6254 174.3643 68 L 5.1000 9.3792 128.7877 53.4874 43.8641 174.8371 69 A 5.2615 9.3041 128.2930 50.0836 23.1516 173.6783 70 D 5.3099 8.9362 119.7735 52.6394 43.3998 175.2914 71 I 4.7698 8.4680 126.2046 58.9859 40.8812 174.7774 72 D 3.5963 8.7771 126.1391 53.6667 41.2106 175.0499 73 P 4.1341 0.0000 0.0000 65.9092 31.1249 177.8047 74 S 4.2206 8.4913 114.6856 60.9803 63.0197 175.5722 75 F 4.3021 8.2270 122.7562 61.2774 39.4449 176.0494 76 G 3.7214 8.4662 109.8784 45.7268 0.0000 173.8005 77 V 3.3254 8.4533 124.8888 66.5903 31.2197 177.8416 78 M 4.0593 7.7399 116.8252 57.6442 31.7328 178.6549 79 K 3.7832 7.7654 119.5610 58.9900 32.1077 179.0426 80 F 4.3607 7.8975 120.5643 61.2215 39.3943 177.2216 81 I 3.0896 7.6332 119.4390 63.9544 36.8548 177.8720 82 K 3.5813 7.8630 120.7185 60.0546 31.8423 178.6973 83 T 3.7588 7.6864 115.0720 66.5451 68.3171 176.5222 84 A 3.8908 7.8364 122.9956 55.1275 18.3212 179.9467 85 K 3.7140 8.1299 117.1965 59.2651 32.1909 179.7038 86 G 3.6616 8.1647 106.3634 47.9551 0.0000 175.5023 87 R 3.9008 8.1657 122.0681 58.9660 30.1465 178.3712 88 S 4.2979 7.9671 114.2014 61.9411 62.7021 176.5747 89 S 3.8768 8.4225 116.3336 61.0054 62.1142 176.1607 90 R 3.8501 7.8143 121.0253 59.5420 29.8844 178.3914 91 I 3.6832 8.2026 119.9711 64.4705 37.2100 178.2315 92 L 4.2657 8.3786 119.9689 58.3308 41.3270 180.0681 93 R 4.2496 7.8801 116.6459 58.8546 29.9892 178.7499 94 Q 4.1386 7.5630 117.2175 58.7488 28.9144 177.8869 95 E 4.0904 8.4960 118.9770 57.2465 29.8924 176.8538 96 F 4.7459 8.4022 118.9853 55.1605 40.6647 175.6740 97 N 4.4336 8.8425 124.9202 56.2724 38.1961 176.7928 98 H 4.5163 8.2435 117.1026 57.4154 28.4863 176.9436 99 L 4.0577 7.5585 120.6200 56.1374 41.6064 177.9888 100 K 4.2479 7.6309 118.5504 58.5997 33.2632 177.9044 101 T 4.0954 8.3745 110.2455 63.8539 68.6827 176.1362 102 K 4.4317 7.7524 119.3199 55.6049 33.7989 176.3716 103 L 4.9947 7.1336 118.8020 51.8608 45.0461 175.7478 104 P 4.1431 0.0000 0.0000 65.5719 31.5804 175.9475 105 T 4.5477 6.9076 105.1766 60.1338 72.1212 173.3888 106 L 3.7352 8.2214 122.5144 56.4867 42.3182 175.8822 107 W 5.5963 7.3939 116.4028 55.0920 31.8136 173.2997 108 T 4.7141 8.3592 109.0326 60.4636 70.7639 173.3197 109 N 4.6419 8.6159 117.4300 52.8807 37.4061 174.3250 110 S 4.7205 7.3438 113.6985 56.8607 64.6362 172.4097 111 C 5.1823 7.5816 115.9488 57.9071 31.3240 172.6675 112 F 5.0029 9.2250 123.1172 56.6454 41.8104 174.2872 113 I 5.1810 7.2386 125.1011 59.6192 40.8993 174.7045 114 S 4.6688 8.7904 121.0059 56.6687 66.4637 173.4292 115 T 4.4398 8.5740 114.2110 61.3555 69.7030 174.0957 116 V 4.4484 8.9092 124.0928 58.7625 33.7005 175.4978 117 G 4.2627 8.1428 117.9123 45.4669 0.0000 171.6473 118 G 3.9976 8.0182 109.5531 42.7609 0.0000 172.9775 119 A 3.8606 8.4460 121.4593 51.5758 18.7849 176.0796 120 P 4.2541 0.0000 0.0000 65.2990 31.5446 178.3524 121 L 3.7171 7.6303 116.9735 55.6484 41.6170 175.9824 122 N 4.3554 8.1557 117.1387 56.9796 39.8469 176.9949 123 V 3.6510 7.7852 119.5698 66.0587 31.6296 178.2406 124 V 3.7305 7.7768 117.6043 65.6785 31.4579 177.8336 125 K 4.0146 7.8303 119.6691 59.6448 31.9778 178.9524 126 Q 4.0204 8.4078 118.4409 58.7954 28.3270 178.1248 127 Y 3.8945 7.5694 121.0382 60.0541 39.2061 177.8186 128 I 3.6708 7.6762 120.1742 64.4673 37.0843 177.8623 129 E 3.8352 7.8756 118.9989 59.1387 29.4195 177.2370 130 N 4.6424 7.3632 112.8417 53.0477 38.8247 175.3245 131 Q 4.1114 7.4981 117.9630 55.3656 29.1619 176.0384 132 Q 4.1698 7.9928 119.4141 56.0056 29.4365 176.4190 133 N 4.8480 8.1786 117.5703 51.7163 37.7311 173.9330 134 S 4.4811 7.1264 111.9721 59.4045 64.9068 176.0233 135 N 4.7377 8.6199 115.8197 53.2256 39.0280 176.4470 136 R 4.0893 7.5867 118.3668 55.5333 32.0425 175.2845 137 P 4.2306 0.0000 0.0000 66.0490 31.3285 178.7256 138 K 3.8621 8.1457 116.2573 59.9347 31.9804 178.9795 139 Q 4.0209 8.0789 117.2124 59.1437 28.6492 179.0730 140 K 4.3709 7.8833 120.1695 59.0039 32.0289 179.3289 141 E 4.0165 8.4075 119.1216 59.0201 29.4812 179.1656 142 K 3.9672 8.4298 120.2110 59.2490 32.3111 178.7307 143 W 4.2920 8.4700 128.6618 60.3119 30.6965 177.6053 144 K 3.6630 8.3884 119.7949 59.7711 31.4173 178.3181 145 S 4.0872 7.8919 111.7144 61.8504 61.9662 175.2940 146 Y 4.1518 7.8096 121.7162 60.8386 38.6041 178.3667 147 V 3.0086 7.4095 113.0244 64.2446 31.4125 178.3842 148 D 4.3014 8.0641 117.9227 56.7554 40.5503 177.0849 149 N 4.6806 7.2644 115.6618 52.8259 39.7235 174.0685 150 L 4.6156 6.7840 117.4798 52.2123 44.6870 176.4798 151 Q 4.2755 7.9189 120.3541 56.1609 30.2797 175.0621 152 T 4.9297 8.0186 109.9720 60.5997 72.6774 173.6858 153 K 4.5245 8.5906 119.2631 54.7825 34.4607 176.9180 154 A 4.6565 8.1127 135.0000 49.4330 17.2755 177.4629 155 L 3.9835 8.7365 118.9089 57.4891 41.9652 174.1273 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 4 A 8.25 4.17 1.07 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 0.00 0.00 5 V 7.34 3.31 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 0.60 0.00 0.00 0.92 0.00 0.00 6 L 8.41 4.63 0.00 1.60 1.41 0.84 0.96 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 7 Y 8.82 4.54 0.00 1.65 2.33 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 8 K 8.26 4.92 0.00 1.57 1.65 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.35 7.81 9 S 9.51 4.61 0.00 4.12 4.06 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 10 N 8.73 4.67 0.00 2.74 2.90 0.00 0.00 6.77 8.16 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 11 H 7.67 5.17 0.00 3.21 2.84 0.00 5.81 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.97 5.20 0.00 2.92 3.25 0.00 0.00 6.61 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 13 V 8.03 4.36 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 1.12 0.00 0.00 1.05 0.00 0.00 14 V 8.65 4.65 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 0.97 0.00 0.00 1.39 0.00 0.00 15 Y 8.55 4.98 0.00 3.11 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 16 S 8.73 4.83 0.00 3.96 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 17 C 9.12 4.69 0.00 3.21 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 18 K 8.03 5.06 0.00 1.83 1.65 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.47 7.81 19 Y 9.45 5.16 0.00 2.86 2.82 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 0.00 0.00 0.00 20 H 9.33 5.39 0.00 3.34 3.38 0.00 5.55 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 9.33 5.20 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.87 1.25 0.00 0.00 22 V 9.26 5.17 2.16 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 1.14 0.00 0.00 0.73 0.00 0.00 23 W 8.11 5.63 0.00 3.22 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 24 C 8.75 5.38 0.00 2.98 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 5.18 0.00 2.32 2.03 0.00 3.87 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 26 K 8.79 3.86 0.00 1.65 1.54 0.00 1.29 0.00 0.00 1.38 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 0.21 7.81 27 Y 8.70 3.96 0.00 3.21 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 28 R 8.41 3.97 0.00 1.97 2.04 0.00 3.29 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 29 R 8.15 4.07 0.00 2.25 1.84 0.00 3.36 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 30 K 8.35 4.65 0.00 1.80 1.78 0.00 1.80 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 1.44 1.48 7.81 31 V 7.33 4.01 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 0.73 0.00 0.00 0.90 0.00 0.00 32 L 7.67 4.41 0.00 1.79 1.65 1.09 0.98 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 33 V 7.26 4.69 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 0.76 0.00 0.00 0.90 0.00 0.00 34 G 8.55 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.85 4.03 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 36 V 7.21 2.96 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 1.01 0.00 0.00 -0.04 0.00 0.00 37 E 7.87 3.91 0.00 2.18 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 2.31 2.35 0.00 38 M 8.09 4.04 0.00 2.16 2.28 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 2.64 2.61 0.00 39 R 8.08 4.04 0.00 2.06 2.17 0.00 3.58 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.26 0.00 40 L 8.31 4.08 0.00 1.96 1.99 1.32 1.22 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 41 K 8.12 4.02 0.00 2.04 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.73 7.81 42 E 8.22 4.01 0.00 2.23 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 2.38 2.73 0.00 43 I 8.36 3.80 2.12 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 0.92 1.00 0.00 0.00 44 I 8.19 3.88 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.02 1.12 0.00 0.00 45 Q 8.15 4.09 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 46 E 8.29 4.02 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 47 V 7.99 3.65 2.36 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 1.06 0.00 0.00 1.03 0.00 0.00 48 A 8.37 4.11 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 49 K 8.03 3.95 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 50 E 8.08 3.97 0.00 2.08 2.26 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 2.34 2.36 0.00 51 L 8.15 4.21 0.00 1.84 1.64 1.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.35 3.73 0.00 1.66 1.89 0.00 2.99 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.00 53 V 8.58 4.19 1.78 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 0.04 0.00 0.00 0.80 0.00 0.00 54 E 8.71 4.25 0.00 2.09 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 2.39 2.37 0.00 55 I 8.21 4.21 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.98 0.00 0.00 56 I 8.83 3.98 1.98 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 1.26 0.65 0.93 0.00 0.00 57 E 7.84 4.80 0.00 1.87 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 2.29 2.30 0.00 58 M 8.26 4.97 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 59 Q 8.99 4.78 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 60 T 8.39 4.81 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 1.14 0.00 0.00 61 D 7.92 4.51 0.00 2.50 2.35 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 62 K 7.84 4.22 0.00 2.04 1.87 0.00 1.97 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.36 7.81 63 D 7.82 5.10 0.00 2.83 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 64 H 7.50 4.80 0.00 3.19 3.37 0.00 5.40 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.72 4.59 1.51 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.25 -0.61 0.00 0.00 66 H 9.22 5.21 0.00 3.17 3.15 0.00 5.57 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 9.06 5.00 1.96 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 1.11 0.60 1.06 0.00 0.00 68 L 9.38 5.10 0.00 1.75 1.64 0.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.30 5.26 1.05 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 70 D 8.94 5.31 0.00 2.80 2.44 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 71 I 8.47 4.77 1.82 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.69 0.95 0.00 0.00 72 D 8.78 3.60 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.13 0.00 2.10 2.06 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 74 S 8.49 4.22 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.23 4.30 0.00 2.80 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 76 G 8.47 3.72 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 0.00 0.00 0.00 77 V 8.45 3.33 1.75 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 0.78 0.00 0.00 -0.31 0.00 0.00 78 M 7.74 4.06 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 79 K 7.77 3.78 0.00 0.81 1.32 0.00 1.14 0.00 0.00 1.32 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.03 7.81 80 F 7.90 4.36 0.00 3.28 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 81 I 7.63 3.09 1.67 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 1.42 0.64 0.47 0.00 0.00 82 K 7.86 3.58 0.00 1.82 1.87 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.56 7.81 83 T 7.69 3.76 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 1.23 0.00 0.00 84 A 7.84 3.89 0.92 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 85 K 8.13 3.71 0.00 1.31 1.44 0.00 0.61 0.00 0.00 0.72 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 86 G 8.16 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 87 R 8.17 3.90 0.00 1.91 2.10 0.00 3.17 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 88 S 7.97 4.30 0.00 4.36 4.42 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 89 S 8.42 3.88 0.00 3.94 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 90 R 7.81 3.85 0.00 2.07 2.00 0.00 3.31 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 91 I 8.20 3.68 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 0.95 0.00 0.00 92 L 8.38 4.27 0.00 1.77 1.83 1.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.88 4.25 0.00 1.98 1.95 0.00 2.99 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 94 Q 7.56 4.14 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 95 E 8.50 4.09 0.00 1.54 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 2.16 2.40 0.00 96 F 8.40 4.75 0.00 2.95 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 97 N 8.84 4.43 0.00 2.85 2.90 0.00 0.00 6.82 8.16 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 98 H 8.24 4.52 0.00 3.37 3.57 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.56 4.06 0.00 1.74 1.62 0.82 0.65 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 0.00 100 K 7.63 4.25 0.00 1.87 1.93 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.45 7.81 101 T 8.37 4.10 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 0.00 102 K 7.75 4.43 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.49 7.81 103 L 7.13 4.99 0.00 1.78 1.61 0.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.14 0.00 2.16 2.21 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 105 T 6.91 4.55 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 1.16 0.00 0.00 106 L 8.22 3.74 0.00 1.18 0.38 -0.10 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.39 5.60 0.00 3.20 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 0.00 108 T 8.36 4.71 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 1.22 0.00 0.00 109 N 8.62 4.64 0.00 2.81 2.92 0.00 0.00 5.73 7.64 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 0.00 110 S 7.34 4.72 0.00 3.88 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 0.00 111 C 7.58 5.18 0.00 3.15 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 0.00 112 F 9.22 5.00 0.00 3.15 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 0.00 113 I 7.24 5.18 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.97 0.00 0.00 114 S 8.79 4.67 0.00 3.87 3.72 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 0.00 115 T 8.57 4.44 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 0.96 0.00 0.00 116 V 8.91 4.45 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 0.64 0.00 0.00 0.98 0.00 0.00 117 G 8.14 4.26 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 0.00 118 G 8.02 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 0.00 119 A 8.45 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 0.00 120 P 0.00 4.25 0.00 2.24 2.32 0.00 3.85 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 2.08 1.99 0.00 121 L 7.63 3.72 0.00 1.86 1.60 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.16 4.36 0.00 2.80 2.82 0.00 0.00 6.54 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 0.00 123 V 7.79 3.65 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 1.00 0.00 0.00 0.96 0.00 0.00 124 V 7.78 3.73 2.27 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 1.04 0.00 0.00 0.94 0.00 0.00 125 K 7.83 4.01 0.00 1.86 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 126 Q 8.41 4.02 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 127 Y 7.57 3.89 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.68 3.67 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.09 0.90 0.00 0.00 129 E 7.88 3.84 0.00 1.94 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 0.00 2.30 2.29 0.00 130 N 7.36 4.64 0.00 1.92 2.49 0.00 0.00 7.08 9.02 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 0.00 131 Q 7.50 4.11 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 132 Q 7.99 4.17 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.87 0.00 0.00 0.00 0.00 0.00 2.63 2.06 0.00 133 N 8.18 4.85 0.00 2.75 2.82 0.00 0.00 5.98 7.64 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 0.00 134 S 7.13 4.48 0.00 3.93 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 0.00 135 N 8.62 4.74 0.00 2.70 2.86 0.00 0.00 6.84 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 0.00 136 R 7.59 4.09 0.00 1.87 1.86 0.00 3.14 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 137 P 0.00 4.23 0.00 2.16 2.13 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 138 K 8.15 3.86 0.00 1.80 1.90 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 139 Q 8.08 4.02 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 140 K 7.88 4.37 0.00 2.02 1.94 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.51 7.81 141 E 8.41 4.02 0.00 2.24 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 2.35 2.48 0.00 142 K 8.43 3.97 0.00 1.92 2.03 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.48 7.81 143 W 8.47 4.29 0.00 3.40 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.39 3.66 0.00 2.00 1.96 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.43 7.81 145 S 7.89 4.09 0.00 4.03 4.06 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 0.00 146 Y 7.81 4.15 0.00 3.13 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 0.00 147 V 7.41 3.01 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.37 0.00 0.00 148 D 8.06 4.30 0.00 2.60 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 0.00 149 N 7.26 4.68 0.00 2.72 2.74 0.00 0.00 7.05 8.32 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 0.00 150 L 6.78 4.62 0.00 1.51 1.29 0.48 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.92 4.28 0.00 1.28 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.54 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 152 T 8.02 4.93 4.27 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 1.17 0.00 0.00 153 K 8.59 4.52 0.00 1.73 1.74 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.49 7.81 154 A 8.11 4.66 1.07 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 0.00 0.00 155 L 8.74 3.98 0.00 1.69 1.58 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00