NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4106 8.1633 120.3462 55.6250 33.0436 176.0345 2 N 4.6124 9.1274 109.9187 52.7705 39.4077 173.4110 3 A 3.9517 7.3985 123.1625 51.0956 19.1763 176.5384 4 P 4.2307 0.0000 0.0000 62.9600 31.9201 175.1282 5 D 4.3699 8.3163 117.9844 53.3868 41.6663 176.5850 6 R 3.8610 8.7803 126.6440 59.5961 30.2166 178.4659 7 F 4.5602 8.1690 111.1935 58.8557 37.7808 176.1750 8 E 3.9995 7.6550 120.4173 57.6984 29.0138 177.4235 9 L 4.4453 7.6731 119.0248 55.9193 42.0215 177.7360 10 F 4.8857 8.0034 110.2105 56.7935 40.4209 174.2723 11 L 4.3073 7.3495 121.8891 52.7029 41.5924 175.8583 12 L 3.9039 8.4253 124.4472 54.7727 41.4608 177.4461 13 G 3.7122 8.4934 114.5508 44.8765 0.0000 171.9103 14 E 3.3058 9.6394 122.5794 57.4848 27.2898 175.0379 15 G 3.9059 8.6655 105.9951 46.5241 0.0000 171.6249 16 E 4.7798 7.7376 121.7020 55.1913 32.2516 175.0866 17 S 4.1181 7.9854 115.1086 58.2182 63.4513 173.6259 18 K 3.8906 8.6165 126.2102 59.8430 31.9644 176.9496 19 L 4.4035 7.3296 117.8683 53.1596 43.9052 176.0772 20 K 4.0534 7.8207 117.8503 56.2259 34.9245 173.8990 21 I 4.8534 8.4968 129.5831 59.8695 39.0377 174.7966 22 D 4.9974 8.7440 128.2386 51.5495 43.0682 174.2546 23 P 4.4856 0.0000 0.0000 62.5860 31.8482 175.7303 24 D 4.4863 8.4226 125.8135 54.9854 40.9398 176.3128 25 T 4.3539 8.5773 115.0962 62.7235 70.1265 176.1403 26 K 3.9537 8.2947 120.8540 58.4270 32.1701 175.7705 27 A 4.7933 8.2418 119.7645 49.5169 22.1349 172.7313 28 P 4.6751 0.0000 0.0000 62.5541 33.6175 175.3666 29 N 4.0076 8.7282 114.2073 53.7605 36.8675 172.1528 30 A 5.0294 7.1053 120.5966 50.8999 23.5676 176.0720 31 V 4.8811 9.0370 119.6760 61.7513 36.4565 173.8887 32 V 4.9645 8.6220 120.8245 61.7139 34.6416 173.6726 33 I 4.9189 9.2626 129.6291 60.1104 39.4154 174.9515 34 T 4.7423 8.9410 123.9435 62.2713 70.2193 173.9248 35 F 4.5827 8.9781 127.2766 56.1869 40.0582 175.1747 36 E 4.3549 8.9749 124.7965 55.8338 30.3966 177.1333 37 K 3.8815 8.0015 121.1640 56.4051 29.8500 173.3466 38 E 4.9547 7.6018 116.1869 56.3164 34.1440 175.2200 39 D 4.6686 8.3152 118.5146 52.2770 41.1453 175.7735 40 H 4.3902 9.0649 112.9309 59.9416 28.4382 176.8034 41 T 3.9019 8.1701 115.6098 66.9682 68.3612 175.4983 42 L 4.2650 7.9640 120.9080 58.8369 42.5653 178.0689 43 G 3.1588 9.2238 103.9136 48.2021 0.0000 174.3062 44 N 3.2811 8.0789 117.7124 55.8439 39.2933 177.0905 45 L 3.9116 7.5056 121.2268 57.6833 42.3310 178.5948 46 I 3.8978 7.7806 119.3224 63.1611 36.8165 178.3500 47 R 3.6287 7.3747 118.8177 59.8624 30.3050 177.2463 48 A 3.7863 7.9193 120.1274 55.7010 18.2931 179.0368 49 E 3.8419 8.3733 114.2688 59.3136 30.0410 179.7701 50 L 4.0435 7.7932 119.6133 57.5857 41.7801 177.5775 51 L 4.2818 7.6199 118.8093 55.3654 42.1761 176.5734 52 N 4.6683 7.7040 116.1221 53.5319 40.6148 174.4843 53 D 4.3801 7.6248 117.3352 54.4245 41.2726 176.9131 54 R 3.9321 8.7879 126.7075 59.5267 30.4073 178.1333 55 K 4.2844 8.3823 114.0662 57.0302 31.8255 175.8587 56 V 4.2918 7.5879 120.6820 61.6968 31.6733 175.7198 57 L 4.3120 8.9551 129.4696 57.2603 42.2728 177.4255 58 F 4.9020 7.8186 119.1891 56.5764 43.3557 173.2809 59 A 5.1868 6.7264 123.8907 51.9992 21.8097 175.2257 60 A 4.4046 8.1141 122.7129 51.7699 22.9072 174.2238 61 Y 5.5157 8.1807 116.3868 56.8390 41.5164 174.2464 62 K 3.8092 7.5830 114.7618 56.6334 35.3113 174.1191 63 V 4.4273 7.9855 114.9965 59.5306 32.2873 175.8403 64 E 4.0417 9.0418 125.3035 59.1866 29.7128 177.3309 65 H 4.3064 7.9083 114.0856 54.6360 32.3635 172.7942 66 P 4.3007 0.0000 0.0000 65.6339 30.9899 177.3066 67 F 4.7524 8.6778 116.8550 59.3436 39.2818 175.3912 68 F 5.0203 8.5029 119.1900 55.5269 40.8396 175.9367 69 A 4.5532 8.5469 127.7159 51.3622 17.8281 175.9921 70 R 5.2732 7.9635 116.7468 56.9763 32.9464 173.4308 71 F 4.9239 7.7591 110.4613 56.4122 40.1914 172.9962 72 K 5.1506 8.5009 120.9236 55.1459 34.7408 175.2161 73 L 5.2404 9.3507 125.4319 53.5039 45.2268 174.8625 74 R 5.2334 9.1843 127.5369 55.0516 32.2119 174.8935 75 I 5.2787 8.9194 126.6086 59.6726 41.0683 174.1332 76 Q 5.1819 9.4429 128.4327 54.5956 32.3645 174.0836 77 T 5.0113 8.3529 113.6093 59.9757 73.0145 173.2763 78 T 4.0188 8.6835 118.4672 64.0645 68.9771 173.9670 79 E 3.9826 8.6318 127.9556 55.8529 31.5113 175.8482 80 G 4.3048 8.9572 113.5924 45.6038 0.0000 173.3692 81 Y 4.4995 7.8560 121.9988 56.2051 39.1932 173.6665 82 D 4.8545 9.0360 128.0462 52.7132 41.9723 174.6265 83 P 3.9462 0.0000 0.0000 66.1461 30.7105 178.0466 84 K 3.8624 9.4925 119.1465 59.7278 31.9993 178.5264 85 D 4.4490 8.4609 118.5814 57.5216 40.8207 178.6946 86 A 4.5693 8.1328 121.8943 54.6113 18.3702 179.2735 87 L 3.9525 8.1757 118.6267 58.4327 42.0630 178.7458 88 K 3.8660 8.4342 118.6328 60.3066 31.9487 178.4566 89 N 4.3473 9.2711 116.2180 56.4259 38.4089 177.1753 90 A 3.9581 8.5190 122.6488 56.1506 18.7358 179.0670 91 C 4.2274 8.2147 115.1074 62.7365 28.1523 175.5626 92 N 4.3047 8.1651 117.9289 56.7195 38.2026 177.1087 93 S 4.1419 8.3112 114.4351 61.8451 62.4122 176.6157 94 I 3.7276 8.1444 122.4970 64.2785 36.6207 178.4087 95 I 3.6605 7.6163 120.1651 64.5785 37.1208 177.7808 96 N 4.2605 9.0126 117.9689 56.4960 38.4046 177.5962 97 K 3.9277 8.3453 119.7441 59.4783 32.1401 179.0383 98 L 4.0307 8.5674 119.4962 58.3778 41.6501 179.5007 99 G 4.1088 9.1041 105.3736 48.3798 0.0000 174.9994 100 A 4.0149 8.2128 122.7897 54.5719 18.5662 179.3073 101 L 3.9103 8.4442 118.9043 58.1553 41.9512 179.1985 102 K 3.9695 8.8733 120.4630 59.9033 32.1982 178.5859 103 T 3.9156 7.8993 115.9993 67.1995 68.3120 176.2356 104 N 4.3998 8.6114 118.3320 56.1882 38.6281 177.3719 105 F 4.2743 8.5388 122.2795 61.2219 39.4805 177.1477 106 E 3.9679 8.6190 118.5679 59.2923 29.0027 178.9447 107 T 3.8262 7.7880 115.3338 66.8989 68.4837 175.6818 108 E 4.0584 7.9175 119.9972 59.2785 29.3480 179.3744 109 W 3.9306 7.5194 126.4902 60.6889 30.8445 177.4500 110 N 4.3951 7.9849 114.6992 55.4046 39.0402 175.8747 111 L 4.3882 7.2098 121.2274 53.2671 40.8043 174.4870 112 Q 4.4216 6.7542 116.1818 55.3576 33.5112 174.5516 113 T 4.0822 7.1590 111.7514 63.2337 71.9101 172.7859 114 L 4.1556 7.5781 123.7233 54.8151 44.4866 173.8311 115 A 4.5157 8.2945 126.0484 50.6341 19.3767 176.3707 116 A 4.1418 8.1783 122.8445 53.6150 18.9966 176.2167 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.41 0.00 2.10 1.84 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 2.56 2.63 0.00 2 N 9.13 4.61 0.00 2.82 2.79 0.00 0.00 6.80 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.40 3.95 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 4 P 0.00 4.23 0.00 2.03 1.98 0.00 3.63 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 5 D 8.32 4.37 0.00 2.28 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 3.86 0.00 1.92 2.13 0.00 3.44 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 7 F 8.17 4.56 0.00 2.90 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 8 E 7.65 4.00 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 9 L 7.67 4.45 0.00 1.92 1.86 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.00 4.89 0.00 3.13 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 11 L 7.35 4.31 0.00 1.71 1.61 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.43 3.90 0.00 1.59 1.77 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.49 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 14 E 9.64 3.31 0.00 2.04 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 2.22 2.27 0.00 15 G 8.67 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 16 E 7.74 4.78 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 17 S 7.99 4.12 0.00 3.78 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 18 K 8.62 3.89 0.00 1.64 1.73 0.00 1.74 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 19 L 7.33 4.40 0.00 1.33 1.29 0.76 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.82 4.05 0.00 1.70 1.55 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.38 7.81 21 I 8.50 4.85 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.93 0.00 0.00 22 D 8.74 5.00 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.08 2.10 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 24 D 8.42 4.49 0.00 2.69 2.71 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 25 T 8.58 4.35 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 1.26 0.00 0.00 26 K 8.29 3.95 0.00 1.85 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.36 7.81 27 A 8.24 4.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.18 2.04 0.00 3.89 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 29 N 8.73 4.01 0.00 2.82 2.80 0.00 0.00 6.75 8.63 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 30 A 7.11 5.03 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 31 V 9.04 4.88 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 0.95 0.00 0.00 32 V 8.62 4.96 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 0.98 0.00 0.00 1.01 0.00 0.00 33 I 9.26 4.92 2.22 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 1.25 0.70 0.51 0.00 0.00 34 T 8.94 4.74 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 1.19 0.00 0.00 35 F 8.98 4.58 0.00 1.51 2.39 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 36 E 8.97 4.35 0.00 1.87 1.84 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 2.25 2.39 0.00 37 K 8.00 3.88 0.00 1.94 1.91 0.00 1.99 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.61 7.81 38 E 7.60 4.95 0.00 1.96 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 2.31 2.41 0.00 39 D 8.32 4.67 0.00 2.76 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 40 H 9.06 4.39 0.00 3.22 3.43 0.00 5.66 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 41 T 8.17 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 42 L 7.96 4.26 0.00 1.89 2.00 1.18 1.23 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 43 G 9.22 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 0.00 0.00 0.00 44 N 8.08 3.28 0.00 2.68 2.85 0.00 0.00 7.06 6.54 0.00 0.00 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 7.51 3.91 0.00 1.71 1.75 0.87 0.82 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 46 I 7.78 3.90 1.88 0.00 0.00 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 1.44 1.00 0.96 0.00 0.00 47 R 7.37 3.63 0.00 1.32 1.67 0.00 3.19 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.00 48 A 7.92 3.79 1.24 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 0.00 0.00 49 E 8.37 3.84 0.00 2.08 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 2.46 0.00 50 L 7.79 4.04 0.00 2.08 1.63 0.91 0.36 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 51 L 7.62 4.28 0.00 1.73 1.63 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.70 4.67 0.00 2.92 2.81 0.00 0.00 6.79 7.38 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 53 D 7.62 4.38 0.00 2.83 2.62 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 54 R 8.79 3.93 0.00 1.88 2.03 0.00 3.44 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 55 K 8.38 4.28 0.00 2.57 2.29 0.00 2.09 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.66 7.81 56 V 7.59 4.29 2.25 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 0.74 0.00 0.00 0.94 0.00 0.00 57 L 8.96 4.31 0.00 1.59 1.76 0.98 0.71 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 58 F 7.82 4.90 0.00 3.12 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 59 A 6.73 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.11 4.40 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 61 Y 8.18 5.52 0.00 2.92 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 62 K 7.58 3.81 0.00 1.83 1.89 0.00 1.32 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.23 7.81 63 V 7.99 4.43 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 0.56 0.00 0.00 0.89 0.00 0.00 64 E 9.04 4.04 0.00 1.99 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 2.37 2.31 0.00 65 H 7.91 4.31 0.00 2.99 2.81 0.00 5.90 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.30 0.00 2.29 2.20 0.00 3.29 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.80 0.00 67 F 8.68 4.75 0.00 2.86 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.50 5.02 0.00 2.96 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 69 A 8.55 4.55 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 70 R 7.96 5.27 0.00 1.88 2.08 0.00 3.37 0.00 0.00 3.45 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 71 F 7.76 4.92 0.00 2.82 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 72 K 8.50 5.15 0.00 1.87 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.45 7.81 73 L 9.35 5.24 0.00 1.99 1.99 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.18 5.23 0.00 2.11 2.15 0.00 3.09 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 75 I 8.92 5.28 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.94 0.00 0.00 76 Q 9.44 5.18 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 77 T 8.35 5.01 3.87 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 0.78 0.00 0.00 78 T 8.68 4.02 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 1.28 0.00 0.00 79 E 8.63 3.98 0.00 1.95 1.88 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 2.33 2.40 0.00 80 G 8.96 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.86 4.50 0.00 2.98 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 9.04 4.85 0.00 2.79 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 83 P 0.00 3.95 0.00 2.28 2.26 0.00 3.77 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 2.08 2.08 0.00 84 K 9.49 3.86 0.00 1.77 1.96 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.98 7.81 85 D 8.46 4.45 0.00 3.21 2.89 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 86 A 8.13 4.57 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 87 L 8.18 3.95 0.00 1.85 1.97 1.09 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.43 3.87 0.00 2.02 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.55 7.81 89 N 9.27 4.35 0.00 2.89 2.88 0.00 0.00 6.99 7.92 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 90 A 8.52 3.96 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 91 C 8.21 4.23 0.00 3.34 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 92 N 8.17 4.30 0.00 2.82 2.92 0.00 0.00 6.77 7.44 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 93 S 8.31 4.14 0.00 3.89 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 94 I 8.14 3.73 2.03 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 1.51 0.59 0.91 0.00 0.00 95 I 7.62 3.66 1.97 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 1.66 1.08 0.92 0.00 0.00 96 N 9.01 4.26 0.00 2.91 2.89 0.00 0.00 7.15 5.12 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 97 K 8.35 3.93 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.71 7.81 98 L 8.57 4.03 0.00 1.85 1.72 0.92 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 99 G 9.10 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 0.00 100 A 8.21 4.01 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 0.00 101 L 8.44 3.91 0.00 1.81 1.82 0.91 0.51 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 0.00 102 K 8.87 3.97 0.00 1.80 1.99 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.52 7.81 103 T 7.90 3.92 4.47 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 1.24 0.00 0.00 104 N 8.61 4.40 0.00 2.98 2.92 0.00 0.00 6.72 7.88 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 0.00 105 F 8.54 4.27 0.00 3.15 3.23 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 0.00 106 E 8.62 3.97 0.00 2.23 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 2.42 2.70 0.00 107 T 7.79 3.83 4.47 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 1.21 0.00 0.00 108 E 7.92 4.06 0.00 1.96 1.97 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 2.53 2.50 0.00 109 W 7.52 3.93 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 0.00 110 N 7.98 4.40 0.00 2.76 2.88 0.00 0.00 7.10 7.87 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 0.00 111 L 7.21 4.39 0.00 1.57 1.59 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 6.75 4.42 0.00 1.50 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.27 1.95 0.00 113 T 7.16 4.08 4.15 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 1.14 0.00 0.00 114 L 7.58 4.16 0.00 1.44 1.41 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.29 4.52 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.18 4.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00