NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4505 8.3349 115.4127 57.7473 63.9031 173.4387 2 K 4.0144 8.5660 125.4294 55.5994 32.5632 175.4031 3 T 4.2995 8.4152 115.4405 62.4179 69.8238 174.3060 4 N 4.5326 7.9404 120.5233 52.9939 39.8536 173.6223 5 P 4.4297 0.0000 0.0000 64.8384 31.5883 178.9733 6 R 3.9549 8.3434 117.4262 58.8786 29.9647 178.7484 7 L 3.9630 7.9573 119.9769 58.1707 41.7840 179.0040 8 S 4.1340 7.9547 113.5689 61.1529 62.7746 176.3363 9 S 4.1586 7.7968 117.0076 60.9192 62.1994 175.7260 10 L 3.9444 7.9040 123.0759 58.1943 41.8985 179.0860 11 I 3.7164 8.0348 119.7524 64.2103 37.0400 178.2631 12 A 4.0390 7.7338 120.8019 55.1759 18.0243 179.4935 13 D 4.2932 8.0682 117.5561 57.4489 40.7972 178.9644 14 L 3.9752 8.1226 119.5741 57.3931 41.5229 179.8950 15 K 4.0162 7.9833 118.3765 59.5802 32.3797 179.3722 16 S 4.1981 8.2033 112.5865 60.5752 62.1678 175.7408 17 A 4.2577 7.8076 123.2822 54.8254 18.6173 179.2822 18 A 4.3496 7.6939 119.5717 54.4389 18.4832 179.5729 19 R 4.1749 7.8866 116.0104 59.2086 30.4827 178.6410 20 S 4.3758 7.5703 113.1907 60.3310 63.3807 175.4808 21 S 4.4914 7.9529 116.8357 57.8804 63.5962 175.4575 22 G 3.9149 8.5789 107.8358 46.2828 0.0000 174.3569 23 G 3.6923 7.9516 110.1035 44.7011 0.0000 174.5319 24 A 4.6347 8.1298 122.8895 51.9016 21.6023 179.1117 25 V 3.5915 7.3928 109.4080 64.2157 31.5713 178.5314 26 W 4.7556 7.7002 118.3815 59.6237 28.9279 178.5244 27 G 3.7374 8.1425 105.2787 47.3204 0.0000 175.1663 28 D 4.4125 7.7228 118.8334 56.7725 41.2110 178.2749 29 V 3.6422 7.8848 118.7029 65.3714 31.6965 177.8501 30 A 4.0582 8.2133 120.6861 55.1698 17.9739 179.4949 31 E 3.9912 8.1051 116.4359 59.3206 29.2707 179.0609 32 R 4.1217 7.5620 118.3651 58.8135 29.9755 178.1711 33 L 4.0444 7.8038 117.7393 56.9183 41.7638 178.5398 34 E 4.1947 7.8805 117.3391 57.5885 29.7284 177.4665 35 K 4.2738 6.8715 116.8724 54.9055 33.2000 174.9244 36 P 4.2961 0.0000 0.0000 62.8831 32.0989 177.8938 37 R 3.5875 8.5061 119.6563 59.1501 30.1895 179.4611 38 R 3.9822 7.8733 113.3924 58.6320 29.6234 177.1784 39 T 4.2906 7.5367 106.8625 61.8755 69.1564 174.4909 40 H 4.6153 7.7263 119.7697 55.2476 29.9257 174.2800 41 A 4.3273 8.0942 122.4464 51.8117 19.7471 176.7107 42 E 4.9270 8.7825 121.5396 54.2382 30.9844 174.1847 43 V 4.3794 8.6376 123.7789 61.1039 34.0268 174.4382 44 N 5.6719 8.4251 123.9170 51.1505 40.9162 176.0784 45 L 4.1458 8.4102 120.9808 57.9935 41.7547 180.2199 46 G 3.7114 8.1811 105.1369 47.4643 0.0000 175.4129 47 R 4.1176 7.8476 120.7575 59.2452 30.0921 178.5241 48 I 3.8716 7.7104 119.2175 64.1889 36.9369 177.8374 49 E 3.9603 8.0533 119.7241 58.8583 29.4701 178.5686 50 R 3.8809 7.2415 117.2480 58.7246 30.2959 177.1162 51 Y 4.7922 7.5355 111.9336 56.8200 38.7478 175.2164 52 A 4.8713 7.2051 123.3543 50.3649 21.4675 176.3050 53 Q 4.6850 7.7311 115.3436 53.8485 31.8785 175.4480 54 E 4.0712 8.5573 118.4409 57.7220 30.0864 176.5323 55 D 4.6370 8.7164 118.3507 54.8880 38.4002 173.7602 56 E 4.7432 7.5737 116.7743 55.1533 32.7255 174.7754 57 T 4.3179 8.7044 124.3023 63.6575 70.1559 173.6986 58 V 4.6105 8.9625 126.5664 61.5493 33.4492 174.4780 59 V 4.7586 9.1306 129.1945 61.3335 33.3820 174.4290 60 V 4.9485 8.8911 128.9502 58.9707 32.8416 174.5151 61 P 4.7071 0.0000 0.0000 59.8963 29.8496 175.4154 62 G 4.2538 6.8623 118.8419 46.9229 0.0000 173.5232 63 K 4.8761 9.1991 126.6983 54.1485 35.4550 173.6665 64 V 4.7933 7.9470 125.9052 61.3225 33.6860 174.4221 65 L 4.9188 9.3944 128.7546 52.5105 44.5463 177.1787 66 G 3.9205 8.6044 107.5999 47.0847 0.0000 173.1656 67 S 4.5243 8.0681 116.8460 58.6279 64.2629 174.8842 68 G 3.8821 9.1220 109.9160 44.9770 0.0000 172.1293 69 V 4.3405 7.8274 117.4832 60.6371 33.3398 174.3640 70 L 4.8612 8.3886 127.3021 53.4778 44.1881 175.6450 71 Q 4.5159 9.8579 125.4922 56.6150 30.8336 176.8054 72 K 4.1228 8.1257 116.5451 56.5509 32.9809 177.1350 73 D 5.4802 8.3426 123.6445 52.6977 39.5906 174.9632 74 V 4.5409 7.6342 115.0076 59.6460 35.6954 175.6136 75 T 4.7452 8.3643 119.7433 62.3142 70.0910 173.6149 76 V 4.7767 8.6503 127.5587 61.5209 33.6394 174.4708 77 A 5.9400 9.9054 129.0602 49.4356 21.7447 174.8935 78 A 5.1599 8.3949 122.6442 49.7715 22.9199 176.7283 79 V 3.6390 8.3746 118.7436 66.1158 32.1799 175.7706 80 D 4.7636 7.4250 117.1801 53.1372 44.5736 174.0495 81 F 5.3112 8.6543 121.2611 55.4384 42.6440 175.1369 82 S 4.3700 8.9223 117.5496 57.8656 63.8415 175.4017 83 G 3.8926 9.0559 108.4971 48.6048 0.0000 175.8627 84 T 3.9906 7.8909 116.6493 65.8797 68.7727 176.8500 85 A 4.0214 7.9317 122.3929 55.2989 18.5169 179.2754 86 E 3.6661 8.3425 117.7830 59.6574 29.3426 179.2728 87 T 3.9005 7.5161 115.4329 66.5412 68.3918 177.0954 88 K 4.0468 8.3198 119.4132 58.7409 32.2851 179.2119 89 I 4.0258 7.8736 120.4807 64.0607 37.2773 177.7353 90 D 4.6982 7.7667 117.4812 56.5088 40.5924 178.6228 91 Q 4.1392 7.3901 118.7032 58.3407 29.2947 177.2277 92 V 4.4017 7.5372 110.2068 61.2563 33.8573 174.7708 93 G 4.1055 8.0873 111.1298 44.8818 0.0000 174.9472 94 E 4.7783 9.3371 126.6752 54.6746 33.2054 173.4840 95 A 4.6151 8.9628 130.2245 50.7522 19.4639 176.1943 96 V 4.5192 8.6902 122.5633 61.5022 34.9941 175.5879 97 S 4.7813 8.5310 120.2155 57.8056 63.8089 175.1053 98 L 4.0098 8.3124 123.3729 58.0491 40.7207 179.3478 99 E 3.8659 7.7834 117.5454 59.1702 29.2499 178.9101 100 Q 4.1706 7.9250 117.5217 58.2816 28.8426 178.1755 101 A 3.9898 7.7951 121.4459 54.9577 18.2242 179.5012 102 I 2.9839 6.8517 117.4940 63.6278 37.0833 177.5098 103 E 4.1856 7.0987 116.2654 58.3921 29.7856 177.8489 104 N 4.6234 8.2419 116.0611 55.0786 40.2989 175.4026 105 N 5.0768 8.3142 119.9370 50.8915 38.7835 172.5667 106 P 4.6315 0.0000 0.0000 64.7928 32.3279 178.5092 107 E 4.1120 8.4774 118.1773 56.9405 29.7086 176.8656 108 G 3.3802 8.0143 106.6892 46.3025 0.0000 173.8648 109 S 4.4647 8.3748 112.1393 57.3588 65.8346 173.2395 110 H 4.0061 8.4293 116.3835 56.7656 25.8180 174.4930 111 V 4.8944 7.0931 116.2091 59.9343 35.0278 176.4040 112 R 4.5254 9.0653 124.6842 54.6171 32.4057 174.7179 113 V 4.6485 8.3224 126.1936 61.7179 32.5614 174.6702 114 I 4.7036 8.5987 129.4453 59.3631 40.2319 176.4440 115 R 4.1678 8.2890 121.5374 56.5056 29.4091 174.7504 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 S 8.33 4.45 0.00 3.99 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 2 K 8.57 4.01 0.00 1.86 1.79 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.42 4.30 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 4 N 7.94 4.53 0.00 2.80 2.68 0.00 0.00 7.24 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 5 P 0.00 4.43 0.00 2.19 2.07 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 6 R 8.34 3.95 0.00 1.99 1.96 0.00 3.12 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 1.64 1.63 0.00 7 L 7.96 3.96 0.00 1.76 1.66 0.92 0.93 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 8 S 7.95 4.13 0.00 4.11 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.80 4.16 0.00 4.08 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 10 L 7.90 3.94 0.00 1.83 1.91 0.85 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 11 I 8.03 3.72 1.87 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 1.46 1.15 0.92 0.00 0.00 12 A 7.73 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.07 4.29 0.00 2.82 2.63 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 0.00 0.00 0.00 0.00 14 L 8.12 3.98 0.00 1.90 1.99 0.95 0.65 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 15 K 7.98 4.02 0.00 2.06 1.86 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 S 8.20 4.20 0.00 3.99 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 17 A 7.81 4.26 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.69 4.35 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.89 4.17 0.00 1.84 2.01 0.00 3.18 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 20 S 7.57 4.38 0.00 4.06 3.88 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 21 S 7.95 4.49 0.00 4.27 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 22 G 8.58 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 23 G 7.95 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 0.00 0.00 0.00 24 A 8.13 4.63 1.20 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 25 V 7.39 3.59 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 0.56 0.00 0.00 -0.21 0.00 0.00 26 W 7.70 4.76 0.00 3.39 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 27 G 8.14 3.74 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 28 D 7.72 4.41 0.00 3.00 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 29 V 7.88 3.64 2.28 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 1.04 0.00 0.00 1.09 0.00 0.00 30 A 8.21 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.11 3.99 0.00 2.04 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 2.42 0.00 32 R 7.56 4.12 0.00 2.01 2.06 0.00 3.33 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 33 L 7.80 4.04 0.00 1.79 1.69 0.90 0.59 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 34 E 7.88 4.19 0.00 2.13 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 2.36 2.58 0.00 35 K 6.87 4.27 0.00 2.08 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.63 7.81 36 P 0.00 4.30 0.00 2.14 1.97 0.00 3.60 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 2.11 2.13 0.00 37 R 8.51 3.59 0.00 1.80 1.91 0.00 3.11 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 38 R 7.87 3.98 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.54 4.29 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 1.21 0.00 0.00 40 H 7.73 4.62 0.00 3.30 3.25 0.00 5.67 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 41 A 8.09 4.33 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 42 E 8.78 4.93 0.00 1.81 1.87 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 2.19 2.27 0.00 43 V 8.64 4.38 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.43 5.67 0.00 2.70 2.95 0.00 0.00 7.62 6.74 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 45 L 8.41 4.15 0.00 1.80 1.75 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.18 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 47 R 7.85 4.12 0.00 1.92 2.09 0.00 3.19 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 48 I 7.71 3.87 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 0.97 0.00 0.00 49 E 8.05 3.96 0.00 2.00 2.11 0.00 0.00 0.00 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 2.32 0.00 50 R 7.24 3.88 0.00 1.86 1.41 0.00 2.46 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.33 0.00 51 Y 7.54 4.79 0.00 3.02 2.86 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 52 A 7.21 4.87 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 53 Q 7.73 4.68 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 54 E 8.56 4.07 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 55 D 8.72 4.64 0.00 2.82 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 56 E 7.57 4.74 0.00 2.02 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 2.24 2.32 0.00 57 T 8.70 4.32 4.33 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 1.38 0.00 0.00 58 V 8.96 4.61 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 0.98 0.00 0.00 0.99 0.00 0.00 59 V 9.13 4.76 2.11 0.00 0.00 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 1.20 0.00 0.00 60 V 8.89 4.95 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 1.09 0.00 0.00 0.96 0.00 0.00 61 P 0.00 4.71 0.00 2.13 2.22 0.00 3.96 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 6.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.20 4.88 0.00 1.70 1.57 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.32 7.81 64 V 7.95 4.79 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 1.07 0.00 0.00 0.74 0.00 0.00 65 L 9.39 4.92 0.00 1.77 1.55 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.60 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 67 S 8.07 4.52 0.00 4.08 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.12 3.88 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 0.00 0.00 0.00 69 V 7.83 4.34 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.39 4.86 0.00 1.59 1.51 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.86 4.52 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.13 4.12 0.00 1.76 1.75 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.75 7.81 73 D 8.34 5.48 0.00 2.81 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 74 V 7.63 4.54 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 0.89 0.00 0.00 1.01 0.00 0.00 75 T 8.36 4.75 4.29 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 1.25 0.00 0.00 76 V 8.65 4.78 2.31 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 1.22 0.00 0.00 1.03 0.00 0.00 77 A 9.91 5.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.39 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.37 3.64 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.43 4.76 0.00 2.68 2.38 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 81 F 8.65 5.31 0.00 2.92 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 82 S 8.92 4.37 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.06 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.89 3.99 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 1.23 0.00 0.00 85 A 7.93 4.02 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 86 E 8.34 3.67 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 87 T 7.52 3.90 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 1.20 0.00 0.00 88 K 8.32 4.05 0.00 1.91 1.89 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 89 I 7.87 4.03 1.78 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 0.88 0.00 0.00 90 D 7.77 4.70 0.00 2.69 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 91 Q 7.39 4.14 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 92 V 7.54 4.40 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 0.79 0.00 0.00 0.98 0.00 0.00 93 G 8.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.34 4.78 0.00 2.00 1.73 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 2.15 2.22 0.00 95 A 8.96 4.62 0.49 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 96 V 8.69 4.52 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.53 4.78 0.00 4.10 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 0.00 98 L 8.31 4.01 0.00 1.87 1.65 1.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.78 3.87 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 100 Q 7.93 4.17 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 101 A 7.80 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.85 2.98 1.72 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.18 0.67 0.00 0.00 103 E 7.10 4.19 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 104 N 8.24 4.62 0.00 2.76 2.90 0.00 0.00 6.74 8.85 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 0.00 105 N 8.31 5.08 0.00 2.86 2.90 0.00 0.00 7.05 8.55 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 0.00 106 P 0.00 4.63 0.00 2.29 2.34 0.00 3.89 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 2.05 2.02 0.00 107 E 8.48 4.11 0.00 2.30 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 2.43 2.41 0.00 108 G 8.01 3.38 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 0.00 109 S 8.37 4.46 0.00 4.01 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 0.00 110 H 8.43 4.01 0.00 3.30 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.09 4.89 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 0.40 0.00 0.00 0.90 0.00 0.00 112 R 9.07 4.53 0.00 2.07 1.82 0.00 3.10 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 113 V 8.32 4.65 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 0.88 0.00 0.00 0.85 0.00 0.00 114 I 8.60 4.70 1.91 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 1.12 0.98 0.00 0.00 115 R 8.29 4.17 0.00 1.84 1.80 0.00 3.04 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00