NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9129 8.3393 109.7401 45.5213 0.0000 173.4168 0 S 4.4118 8.1902 114.6607 57.2053 65.6930 173.2464 1 M 4.1260 9.2101 122.2981 58.5587 32.0737 180.2869 2 Q 4.0886 8.0406 117.9423 58.6744 28.9155 178.4973 3 R 3.8966 8.2748 119.6509 59.3237 30.2021 178.1523 4 A 4.0002 8.0677 120.6253 55.5756 18.3338 179.6269 5 S 4.0800 8.5222 111.8159 61.4568 62.3348 176.3562 6 R 3.9720 8.1767 121.5959 59.2841 29.8592 178.4747 7 L 4.0173 8.2309 119.0074 57.6623 41.5807 179.5470 8 K 3.9857 8.1222 118.5230 59.5307 31.9857 179.3923 9 R 3.9488 7.8951 118.5380 59.3705 29.9400 178.4716 10 E 3.9998 8.5484 118.7223 59.4510 29.4500 179.1671 11 L 4.0011 8.5082 119.3768 58.0159 41.7441 179.0781 12 H 4.0873 8.2769 118.1041 59.7418 29.7645 177.3508 13 M 4.1098 8.1165 120.3891 58.2640 31.5194 178.8158 14 L 4.0140 8.1856 118.8082 57.5689 41.8492 179.0026 15 A 4.1735 8.1952 120.5920 54.5032 18.3820 178.7687 16 T 4.4064 7.5802 106.0016 61.7744 71.5537 174.6769 17 E 4.7516 8.2472 119.7252 54.2359 30.0471 174.0137 18 P 4.4663 0.0000 0.0000 61.6954 32.9644 175.4038 19 P 4.4010 0.0000 0.0000 61.5718 31.9662 174.1611 20 P 4.3746 0.0000 0.0000 64.8477 31.3496 176.8173 21 G 4.0522 9.2689 109.3634 45.2171 0.0000 172.3968 22 I 5.2916 7.5515 119.7058 59.6753 40.5782 175.1264 23 T 4.9169 8.8824 114.5558 60.5072 72.5106 172.2749 24 C 5.2466 8.7778 122.7867 57.9440 34.8355 172.6978 25 W 5.2831 8.4577 121.7514 55.0266 31.8790 173.5811 26 Q 4.3004 8.7395 122.4819 55.5836 29.1077 175.4357 27 D 4.7408 8.5459 125.9178 56.7550 43.0628 176.4406 28 K 4.7097 8.4089 115.2024 56.7218 33.3686 175.6075 29 D 4.9084 9.4592 112.8482 52.7563 41.1672 175.9548 30 Q 4.5964 7.7220 119.7476 54.5579 30.3795 176.3117 31 M 4.3531 8.7456 122.6473 57.0676 32.3629 176.5235 32 D 4.6841 7.9665 117.4710 52.7816 40.2241 174.8095 33 D 5.0237 7.8707 120.9854 52.3877 41.8229 174.5838 34 L 4.9402 8.8669 124.4957 52.4893 45.4873 174.9878 35 R 4.7030 7.9468 117.9160 54.4006 34.7219 174.2579 36 A 4.7571 8.1651 121.2588 50.4290 23.6761 174.7228 37 Q 5.1138 9.4322 119.4687 54.7483 33.0653 173.6312 38 I 5.1923 9.0989 126.6985 59.4597 40.5549 174.8242 39 L 4.7194 8.9370 127.4757 54.0312 42.4085 177.3149 40 G 4.0864 9.3694 111.5675 46.8588 0.0000 173.5194 41 G 4.2268 8.9045 110.8073 45.1671 0.0000 173.4765 42 A 4.3809 8.5826 125.2197 53.1204 19.0638 177.0963 43 N 4.3473 9.2029 117.8457 54.5492 36.6405 174.5277 44 T 4.8078 7.5282 105.6271 58.9729 72.0340 172.7266 45 P 4.2243 0.0000 0.0000 65.1528 31.3736 176.9917 46 Y 5.0552 7.3638 115.5825 56.9185 38.2934 174.9302 47 E 4.2165 7.8901 121.6697 57.9508 29.9320 177.5149 48 K 4.1076 9.0490 123.2756 56.5299 30.5701 176.5633 49 G 3.8569 8.2545 106.9726 45.7827 0.0000 172.9647 50 V 4.7783 8.2675 121.5785 60.7868 33.9026 174.7502 51 F 4.8921 9.1841 126.8788 55.7115 41.3587 174.6382 52 K 5.0352 9.4272 126.0438 55.4071 34.2845 175.2268 53 L 5.0725 8.4195 124.0263 53.0610 46.7526 174.6936 54 E 4.4861 8.7570 123.0262 54.9108 31.7115 175.0652 55 V 4.1560 8.5923 126.4413 61.3161 34.2261 173.6669 56 I 4.7024 8.5685 129.7908 59.5435 39.4752 174.9927 57 I 4.4206 8.1178 128.6119 58.6392 38.2096 174.2854 58 P 4.4006 0.0000 0.0000 62.1008 31.9087 176.9042 59 E 3.9466 8.7292 119.7153 59.0093 29.6803 177.7074 60 R 4.5565 7.8790 115.5120 55.6618 30.8014 175.2108 61 Y 4.4221 7.7758 120.5580 57.7931 39.0764 174.4575 62 P 3.2660 0.0000 0.0000 62.5048 31.4393 176.6074 63 F 4.7186 8.2054 118.0866 58.7477 39.4197 175.7172 64 E 4.6990 7.7718 119.4155 53.4016 32.5477 173.8455 65 P 2.9700 0.0000 0.0000 60.6140 32.3193 174.1755 66 P 4.0960 0.0000 0.0000 62.9889 32.1901 176.1136 67 Q 4.4071 8.9133 122.4319 54.6854 30.1393 174.8302 68 I 5.5029 8.4184 124.5308 58.2676 40.7080 175.2025 69 R 4.8857 8.1507 121.1720 54.2857 33.3939 174.0940 70 F 4.5110 9.1786 120.1715 57.9068 39.4678 176.4347 71 L 4.2570 8.9373 123.8854 57.2269 42.6211 177.6365 72 T 4.4700 8.0821 115.3912 61.9285 69.2359 173.6857 73 P 4.5076 0.0000 0.0000 63.0585 32.1274 175.5379 74 I 4.6897 7.8766 120.0467 59.7296 40.8715 173.7505 75 Y 4.1193 8.4711 127.6304 56.5564 38.7240 174.1842 76 H 4.9030 7.7814 124.8997 54.3740 33.0417 172.5757 77 P 4.0361 0.0000 0.0000 65.3143 31.4012 177.4323 78 N 4.9045 8.2432 112.7108 52.7120 38.9515 173.9332 79 I 4.8574 7.2322 119.4766 59.3971 40.3160 175.3002 80 D 4.6457 8.5319 125.5287 51.8722 41.0663 176.9660 81 S 4.1583 8.4409 111.9254 59.7235 63.2338 174.3836 82 A 4.4824 8.7031 123.8450 51.8576 19.1324 177.6779 83 G 4.1952 8.3801 105.4358 46.8136 0.0000 174.3049 84 R 4.2455 7.9787 119.1820 56.1304 30.7374 175.1720 85 I 4.8226 8.1706 122.1840 59.6884 39.6346 174.6977 86 C 4.4823 8.9122 128.6331 58.3589 31.9887 172.5540 87 L 4.5726 8.1320 127.9234 53.8189 44.9321 175.5036 88 D 4.3756 9.1572 126.2858 56.8042 39.2915 178.8171 89 V 3.9155 7.7889 110.3590 62.6151 31.6172 176.4397 90 L 4.5021 7.8243 119.4044 54.2554 41.8346 176.1516 91 K 4.6682 7.5789 119.6651 54.3123 35.5712 175.4430 92 L 4.7472 8.2174 123.5189 53.2977 42.6684 174.9621 93 P 4.9121 0.0000 0.0000 61.5356 31.8518 175.1129 94 P 4.4219 0.0000 0.0000 65.5030 31.8376 177.8684 95 K 3.9849 8.1864 119.4550 58.8583 32.0734 176.9553 96 G 3.9767 8.0821 107.5051 44.7486 0.0000 173.3637 97 A 4.7187 8.4512 119.3269 51.0382 19.7581 176.3072 98 W 4.2933 8.5417 128.4810 57.7585 31.4054 175.5881 99 R 4.3103 6.6371 119.9556 53.5811 31.8899 174.1969 100 P 4.1563 0.0000 0.0000 64.7533 31.3874 177.7593 101 S 4.1131 7.4668 111.2677 59.2863 63.4012 174.1274 102 L 4.1682 6.9953 122.2564 54.4636 42.8346 174.9928 103 N 5.1382 8.3288 117.2788 52.2958 41.3819 175.1674 104 I 3.7292 9.2039 121.4318 64.7632 37.0520 178.6275 105 A 4.0479 8.0820 121.1007 55.3737 18.2743 179.6603 106 T 3.9110 8.6242 108.6449 64.9848 68.8755 177.3962 107 V 3.7234 8.1167 115.3032 64.0904 31.4706 178.5291 108 L 3.9764 8.0906 118.9530 57.9891 41.3184 179.6353 109 T 3.8942 8.1548 115.8683 66.6922 68.2833 176.9129 110 S 4.1395 8.2717 117.2570 61.6027 62.8255 176.8721 111 I 3.7178 7.9740 122.6241 64.3112 36.7172 178.1110 112 Q 3.9774 8.3504 120.7513 59.2339 28.7605 178.3123 113 L 3.9848 8.2851 121.5873 57.9992 41.9039 178.5420 114 L 4.0790 8.1011 119.8715 58.4459 41.9974 178.5697 115 M 4.1285 7.9084 117.7880 58.6456 31.9749 178.6924 116 S 4.6023 7.8397 114.1261 60.1413 64.2398 174.5226 117 E 4.6624 8.1437 120.4412 53.1233 29.7113 173.4962 118 P 4.3518 0.0000 0.0000 62.6920 32.4711 176.7168 119 N 4.8009 9.1050 119.2211 50.6014 37.6592 173.9585 120 P 4.1471 0.0000 0.0000 64.6318 31.9455 178.4960 121 D 4.4386 8.0162 118.1602 55.7034 39.8906 176.1929 122 D 4.8529 7.8387 118.3903 51.8315 41.0126 173.3386 123 P 4.6094 0.0000 0.0000 62.0780 33.1021 176.7282 124 L 4.1902 8.3422 121.1836 56.2641 42.7904 176.7843 125 M 4.4320 7.4851 118.2025 52.7658 32.8101 175.7672 126 A 3.9579 8.2590 126.7309 55.2946 18.7567 178.7974 127 D 4.3460 7.9727 116.7706 57.4021 41.0502 178.9023 128 I 3.7501 7.5645 119.9610 64.3409 37.1436 178.1920 129 S 3.9996 8.3026 114.3205 61.4706 62.2104 176.4335 130 S 4.2103 8.3031 117.9372 61.4929 62.6688 176.2083 131 E 4.0580 8.3636 122.0629 59.2887 29.2000 178.5686 132 F 3.7870 8.4340 119.7594 61.3241 39.4284 177.0162 133 K 3.8339 7.9340 116.6922 58.5230 31.8317 177.3916 134 Y 4.8533 7.7944 113.3110 57.8211 40.5724 175.5267 135 N 5.0419 8.4898 118.7946 50.7511 39.7759 174.3613 136 K 3.7961 8.1326 123.9748 59.5522 32.7067 175.6925 137 P 4.3730 0.0000 0.0000 65.4535 31.1549 178.4889 138 A 4.0273 8.1528 119.3214 54.8167 18.4196 179.0693 139 F 4.7024 8.3631 120.6305 61.0073 39.4544 177.2707 140 L 3.7776 8.5002 118.7410 57.5770 41.4698 179.4362 141 K 3.7995 7.9358 119.3089 59.7780 32.2029 178.5975 142 N 4.1281 8.2546 116.6862 56.0023 38.2822 177.3899 143 A 3.8052 7.8276 122.6224 54.9631 18.3309 179.8009 144 R 4.1093 7.9879 118.3333 59.0531 30.1213 179.3658 145 Q 3.9818 8.0946 117.6877 58.7323 28.6863 178.8722 146 W 3.8455 8.3951 120.0500 59.8557 29.0242 178.7318 147 T 4.1316 8.2750 115.8209 66.7067 67.7405 176.2760 148 E 3.9068 8.3382 120.3430 59.1840 29.7250 178.4927 149 K 3.9306 8.0112 118.6222 59.0038 32.3325 177.5913 150 H 4.8633 8.2976 113.0385 55.1040 30.9357 174.4888 151 A 4.4625 8.1401 122.4448 51.5124 17.8835 175.9404 152 R 4.5785 7.3771 117.1780 54.9420 31.4835 175.7405 153 Q 4.1378 8.4745 122.2265 58.2234 29.2465 177.1584 154 K 4.1440 7.3124 119.5387 56.5658 32.0763 176.5931 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 G 8.34 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.19 4.41 0.00 4.38 4.07 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 1 M 9.21 4.13 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 2 Q 8.04 4.09 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 3 R 8.27 3.90 0.00 1.96 2.16 0.00 3.29 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 4 A 8.07 4.00 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 5 S 8.52 4.08 0.00 3.88 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 6 R 8.18 3.97 0.00 1.96 2.19 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 7 L 8.23 4.02 0.00 2.08 1.70 0.80 0.78 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 8 K 8.12 3.99 0.00 2.00 1.88 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.65 7.81 9 R 7.90 3.95 0.00 1.89 2.12 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 10 E 8.55 4.00 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 2.40 2.66 0.00 11 L 8.51 4.00 0.00 1.65 1.75 0.94 0.94 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 12 H 8.28 4.09 0.00 3.24 3.51 0.00 5.59 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 13 M 8.12 4.11 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.99 0.00 14 L 8.19 4.01 0.00 1.80 1.76 0.90 0.70 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 15 A 8.20 4.17 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 16 T 7.58 4.41 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 1.09 0.00 0.00 17 E 8.25 4.75 0.00 1.91 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 2.23 2.21 0.00 18 P 0.00 4.47 0.00 2.43 2.26 0.00 3.78 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 2.01 2.01 0.00 19 P 0.00 4.40 0.00 2.22 2.03 0.00 3.65 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 2.13 2.10 0.00 20 P 0.00 4.37 0.00 2.20 2.11 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 21 G 9.27 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 22 I 7.55 5.29 2.02 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 1.32 0.91 0.94 0.00 0.00 23 T 8.88 4.92 4.40 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 1.28 0.00 0.00 24 C 8.78 5.25 0.00 2.91 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 25 W 8.46 5.28 0.00 3.40 3.24 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 0.00 26 Q 8.74 4.30 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 27 D 8.55 4.74 0.00 2.61 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 28 K 8.41 4.71 0.00 1.71 1.41 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.44 7.81 29 D 9.46 4.91 0.00 2.78 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 30 Q 7.72 4.60 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 31 M 8.75 4.35 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.70 0.00 32 D 7.97 4.68 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 33 D 7.87 5.02 0.00 2.76 2.50 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 34 L 8.87 4.94 0.00 1.43 1.37 0.75 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.95 4.70 0.00 0.67 1.04 0.00 3.09 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.61 0.00 36 A 8.17 4.76 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 37 Q 9.43 5.11 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 38 I 9.10 5.19 1.99 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 1.25 0.80 0.99 0.00 0.00 39 L 8.94 4.72 0.00 1.63 1.70 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.37 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 41 G 8.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.58 4.38 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 43 N 9.20 4.35 0.00 2.95 2.99 0.00 0.00 6.73 7.13 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 44 T 7.53 4.81 4.39 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 1.42 0.00 0.00 45 P 0.00 4.22 0.00 1.70 2.20 0.00 3.56 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 0.96 1.79 0.00 46 Y 7.36 5.06 0.00 3.17 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 47 E 7.89 4.22 0.00 2.25 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 2.39 2.38 0.00 48 K 9.05 4.11 0.00 2.02 2.02 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.47 7.81 49 G 8.25 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 50 V 8.27 4.78 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 0.87 0.00 0.00 0.93 0.00 0.00 51 F 9.18 4.89 0.00 3.34 3.32 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 52 K 9.43 5.04 0.00 1.89 1.75 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.60 7.81 53 L 8.42 5.07 0.00 1.35 1.20 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.76 4.49 0.00 1.97 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 2.12 2.13 0.00 55 V 8.59 4.16 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 0.77 0.00 0.00 0.70 0.00 0.00 56 I 8.57 4.70 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.82 0.00 0.00 57 I 8.12 4.42 1.64 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.31 0.00 0.00 58 P 0.00 4.40 0.00 2.32 2.13 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 59 E 8.73 3.95 0.00 1.93 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 0.00 2.31 2.43 0.00 60 R 7.88 4.56 0.00 1.98 2.07 0.00 3.23 0.00 0.00 3.43 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 61 Y 7.78 4.42 0.00 3.06 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 62 P 0.00 3.27 0.00 1.65 1.16 0.00 2.88 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.52 0.00 63 F 8.21 4.72 0.00 3.21 3.19 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 64 E 7.77 4.70 0.00 1.88 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 2.32 0.00 65 P 0.00 2.97 0.00 1.70 1.28 0.00 3.56 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 66 P 0.00 4.10 0.00 1.75 1.76 0.00 3.10 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 67 Q 8.91 4.41 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 68 I 8.42 5.50 1.75 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 0.86 1.25 0.73 0.00 0.00 69 R 8.15 4.89 0.00 1.97 1.94 0.00 2.97 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 70 F 9.18 4.51 0.00 2.96 3.34 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 71 L 8.94 4.26 0.00 1.71 1.78 0.91 1.18 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 72 T 8.08 4.47 4.66 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 1.28 0.00 0.00 73 P 0.00 4.51 0.00 2.28 2.30 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 74 I 7.88 4.69 1.52 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.37 -0.00 0.00 0.00 75 Y 8.47 4.12 0.00 2.49 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 76 H 7.78 4.90 0.00 3.02 2.83 0.00 5.74 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 77 P 0.00 4.04 0.00 1.86 1.80 0.00 2.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.63 0.00 78 N 8.24 4.90 0.00 2.77 2.91 0.00 0.00 6.91 7.29 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 79 I 7.23 4.86 1.55 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.35 0.67 0.00 0.00 80 D 8.53 4.65 0.00 2.84 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 81 S 8.44 4.16 0.00 4.01 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 82 A 8.70 4.48 1.30 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 83 G 8.38 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 84 R 7.98 4.25 0.00 2.10 1.85 0.00 3.07 0.00 0.00 3.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 85 I 8.17 4.82 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.93 0.00 0.00 86 C 8.91 4.48 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.13 4.57 0.00 1.76 1.44 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 D 9.16 4.38 0.00 2.88 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 89 V 7.79 3.92 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 0.76 0.00 0.00 1.02 0.00 0.00 90 L 7.82 4.50 0.00 1.80 1.65 0.89 0.79 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 91 K 7.58 4.67 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 92 L 8.22 4.75 0.00 1.82 1.66 0.99 1.45 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 93 P 0.00 4.91 0.00 2.07 2.02 0.00 3.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 94 P 0.00 4.42 0.00 2.18 2.18 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 95 K 8.19 3.98 0.00 1.72 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.51 7.81 96 G 8.08 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 0.00 0.00 0.00 97 A 8.45 4.72 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 98 W 8.54 4.29 0.00 3.56 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 6.64 4.31 0.00 1.67 1.74 0.00 2.84 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.20 0.00 100 P 0.00 4.16 0.00 1.89 1.76 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 101 S 7.47 4.11 0.00 3.84 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 0.00 102 L 7.00 4.17 0.00 0.47 1.46 0.86 0.73 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 0.00 103 N 8.33 5.14 0.00 3.36 2.97 0.00 0.00 6.91 7.16 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 0.00 104 I 9.20 3.73 1.95 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 1.29 0.82 0.84 0.00 0.00 105 A 8.08 4.05 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 T 8.62 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 1.31 0.00 0.00 107 V 8.12 3.72 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 1.07 0.00 0.00 108 L 8.09 3.98 0.00 1.70 1.69 0.86 0.37 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 0.00 109 T 8.15 3.89 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 1.23 0.00 0.00 110 S 8.27 4.14 0.00 4.06 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 0.00 111 I 7.97 3.72 1.97 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 1.40 0.90 0.93 0.00 0.00 112 Q 8.35 3.98 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 113 L 8.29 3.98 0.00 1.80 1.82 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.10 4.08 0.00 1.72 1.87 0.96 0.82 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 0.00 115 M 7.91 4.13 0.00 1.82 2.24 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.03 0.00 116 S 7.84 4.60 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.14 4.66 0.00 1.99 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 2.28 2.29 0.00 118 P 0.00 4.35 0.00 0.69 1.19 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.81 0.00 119 N 9.11 4.80 0.00 2.62 2.94 0.00 0.00 7.05 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 0.00 120 P 0.00 4.15 0.00 2.10 2.03 0.00 3.65 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 121 D 8.02 4.44 0.00 2.78 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 0.00 122 D 7.84 4.85 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.10 1.95 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 124 L 8.34 4.19 0.00 1.53 1.64 0.89 0.77 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 0.00 125 M 7.49 4.43 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 126 A 8.26 3.96 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 0.00 127 D 7.97 4.35 0.00 2.70 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 0.00 128 I 7.56 3.75 1.65 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.22 0.78 0.00 0.00 129 S 8.30 4.00 0.00 3.82 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 0.00 130 S 8.30 4.21 0.00 4.13 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 0.00 131 E 8.36 4.06 0.00 2.35 2.37 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 2.63 2.49 0.00 132 F 8.43 3.79 0.00 2.19 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.93 3.83 0.00 1.06 0.86 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.60 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.34 1.59 7.81 134 Y 7.79 4.85 0.00 3.11 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 0.00 135 N 8.49 5.04 0.00 2.81 2.73 0.00 0.00 6.66 7.50 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 0.00 136 K 8.13 3.80 0.00 1.68 1.72 0.00 1.48 0.00 0.00 1.03 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.57 7.81 137 P 0.00 4.37 0.00 2.21 2.09 0.00 3.83 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 2.12 2.15 0.00 138 A 8.15 4.03 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 0.00 139 F 8.36 4.70 0.00 3.33 3.34 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 0.00 140 L 8.50 3.78 0.00 1.81 1.68 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.94 3.80 0.00 1.80 1.88 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 142 N 8.25 4.13 0.00 2.39 1.74 0.00 0.00 7.00 7.28 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 0.00 143 A 7.83 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.99 4.11 0.00 1.89 1.96 0.00 3.11 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 145 Q 8.09 3.98 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 146 W 8.40 3.85 0.00 3.55 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.27 4.13 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 148 E 8.34 3.91 0.00 1.89 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 2.27 2.31 0.00 149 K 8.01 3.93 0.00 1.59 1.58 0.00 1.43 0.00 0.00 1.06 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.72 1.14 7.81 150 H 8.30 4.86 0.00 3.37 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.14 4.46 0.69 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 0.00 0.00 152 R 7.38 4.58 0.00 1.93 1.79 0.00 3.13 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 153 Q 8.47 4.14 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 154 K 7.31 4.14 0.00 1.70 1.70 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.36 7.81