NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3478 8.2493 123.5828 52.5916 20.0232 176.1809 2 T 4.5358 8.2297 108.1000 61.3855 70.9599 172.5077 3 K 5.3233 8.2959 122.8883 55.0285 37.3705 176.0942 4 A 5.3968 9.1571 123.9055 51.2972 23.4655 175.1563 5 V 5.0728 8.8096 116.9923 60.7843 35.3298 173.3928 6 A 4.8679 9.0528 123.4923 50.4482 22.6429 175.1009 7 V 4.4325 8.4032 122.6380 61.3043 33.4157 174.5749 8 L 4.5908 8.9997 129.8132 54.2896 42.9298 176.4469 9 K 4.8509 9.0847 122.2433 55.3812 37.1407 175.9135 10 G 4.5721 8.0426 107.4544 46.2940 0.0000 172.0149 11 D 4.7112 8.9846 118.1994 55.2511 41.9232 177.4827 12 G 4.2132 7.6222 109.8248 44.3938 0.0000 172.0761 13 P 4.4921 0.0000 0.0000 63.1337 32.1115 176.0635 14 V 4.4659 7.7896 120.4655 62.3715 32.0319 174.8928 15 Q 4.7538 7.7939 123.6820 55.4553 31.9015 173.2267 16 G 4.3674 7.6306 106.9276 46.5973 0.0000 171.4754 17 I 5.1260 7.7066 119.3276 59.4019 40.7751 175.0877 18 I 4.6136 8.6825 127.6644 59.4945 39.9907 174.5356 19 N 4.9081 8.3871 124.3870 51.4958 41.0792 174.0205 20 F 5.3425 8.8410 119.7211 55.8445 43.3588 173.8137 21 E 5.1867 9.5256 123.0186 54.9560 33.3925 173.6246 22 Q 4.7100 9.4084 127.9920 54.2639 30.6592 174.7968 23 K 4.1822 9.0696 127.0609 58.6594 32.6534 177.6448 24 E 4.8287 7.7937 116.4708 54.0826 32.7772 176.9159 25 S 4.1282 8.8757 118.1020 61.2140 62.9676 175.1593 26 N 4.6862 8.0580 114.6729 52.6078 37.9716 175.1089 27 G 3.9365 7.7778 109.0356 43.9591 0.0000 171.4384 28 P 4.6769 0.0000 0.0000 62.6826 32.5475 175.6407 29 V 4.6602 9.1632 121.3216 61.3167 33.9325 174.4555 30 K 5.0294 9.2948 127.7412 55.2500 34.2251 175.6077 31 V 4.9421 9.3014 125.0011 60.8214 34.3266 174.2426 32 W 5.8538 7.2272 123.2702 55.8061 32.0598 175.3087 33 G 3.9452 7.5911 105.6886 45.9203 0.0000 170.4765 34 S 5.0946 7.7540 113.0810 56.7540 66.2850 174.1429 35 I 5.0432 8.7725 127.0157 59.3197 40.8118 174.7115 36 K 4.7347 8.9556 125.0585 55.5623 36.2036 176.7931 37 G 3.8695 8.8007 105.8732 45.8308 0.0000 173.0794 38 L 4.5960 7.6767 119.7173 52.4314 43.3590 176.5440 39 T 4.2188 8.2597 112.4430 61.1835 69.6249 173.7854 40 E 4.0340 8.6385 124.3925 57.7111 30.6001 175.1154 41 G 3.8804 8.4479 110.1448 43.8938 0.0000 172.6407 42 L 4.8116 8.1928 118.6573 55.0967 42.9216 176.6911 43 H 4.9890 8.9101 118.4858 53.8942 33.3624 173.2958 44 G 4.1548 9.2345 111.1986 47.0722 0.0000 172.4024 45 F 5.5159 9.1512 124.9959 56.9632 42.2761 172.9547 46 H 5.1206 8.8058 122.4690 54.2092 34.0398 172.6280 47 V 4.5146 8.4304 120.3218 62.0984 32.9534 174.7569 48 H 5.0812 9.5224 126.2996 54.5519 30.5260 175.6488 49 E 3.6005 8.8449 123.3993 59.3233 29.4844 177.0898 50 F 4.9171 8.1014 118.4195 55.0717 41.2186 176.7388 51 G 4.5190 8.3247 112.6194 44.2128 0.0000 174.3535 52 D 4.7195 7.8931 117.9045 52.7303 42.2432 174.2652 53 N 5.1758 8.7694 124.3920 52.7170 39.2137 175.7089 54 T 3.9100 8.7377 110.0609 63.4871 69.6812 174.4830 55 A 4.7139 7.9997 123.7448 50.7764 19.2815 175.2447 56 G 3.6686 7.6514 114.1149 46.5266 0.0000 175.1756 57 C 4.4818 8.5700 116.0775 59.0066 39.3773 175.8536 58 T 3.8600 7.5880 116.5054 66.2014 67.6942 175.6900 59 S 4.5396 7.8525 112.6723 58.9706 63.6722 175.1446 60 A 4.6567 7.4709 125.9733 53.7296 18.4109 178.8657 61 G 3.7602 7.9019 105.1284 43.9736 0.0000 170.7063 62 P 4.6963 0.0000 0.0000 62.0640 33.9046 175.1025 63 H 4.5487 8.3731 116.4077 55.5919 29.6149 175.5710 64 F 4.2249 9.1060 125.3428 58.4437 40.2994 174.8732 65 N 5.1838 8.1260 125.6545 51.4140 38.8377 172.8778 66 P 4.1950 0.0000 0.0000 65.2419 32.0594 178.0189 67 L 4.2372 7.6632 116.3732 53.8607 42.1689 176.3185 68 S 3.5952 7.4671 114.0580 59.8959 60.6699 170.9711 69 R 4.5535 8.1589 117.7314 54.2273 32.9347 176.4210 70 K 4.4244 8.7047 118.4531 55.9282 33.7093 176.5414 71 H 4.0601 8.7894 122.6756 56.8453 30.5124 174.7912 72 G 4.0146 7.9174 109.6171 45.6982 0.0000 172.4424 73 G 4.1448 9.2863 109.3295 43.3533 0.0000 173.2659 74 P 4.3551 0.0000 0.0000 65.4340 31.1286 177.7693 75 K 4.1925 7.8967 116.3265 57.7952 32.5212 176.9127 76 D 4.5781 7.6789 119.1442 53.7925 41.4523 176.2577 77 E 3.9144 8.6848 123.5668 58.8747 29.8933 176.4455 78 E 4.2063 7.9246 120.5220 55.4616 28.4962 174.8994 79 R 4.7569 7.5592 119.8779 56.0166 32.3110 174.4439 80 H 4.5514 9.2272 116.3003 55.0153 29.4894 177.1604 81 V 3.4224 8.2287 122.5346 66.0203 31.4557 177.1830 82 G 3.8313 8.1926 106.5706 46.0755 0.0000 173.0228 83 D 4.8617 7.9272 120.4968 54.3369 39.2944 175.7247 84 L 4.6093 8.3310 121.3793 53.9705 43.1740 178.7056 85 G 4.0782 7.9386 108.6191 46.5631 0.0000 174.1634 86 N 5.6825 8.6895 121.0326 51.3204 42.3707 173.2512 87 V 4.4490 8.4313 112.9606 59.8719 35.9301 174.7957 88 T 5.0855 8.2857 118.6248 61.8490 71.3674 172.9278 89 A 4.9409 8.7459 128.7213 50.5369 21.3850 177.1169 90 D 4.9142 8.7310 122.3288 51.8561 41.3682 177.1896 91 K 4.3364 8.4304 116.6991 59.1968 32.3493 177.2201 92 D 4.4952 8.2832 117.3375 54.2819 41.4398 176.9882 93 G 4.3477 8.7857 108.7894 44.5755 0.0000 172.4539 94 V 4.8315 8.4102 120.0452 60.7237 33.9474 174.3184 95 A 5.2050 9.1585 130.0313 49.8686 20.8976 175.3908 96 D 5.0762 8.5938 123.5824 53.1773 40.7437 176.0657 97 V 3.5805 8.2547 123.8699 62.8584 32.9312 175.0480 98 S 4.8143 8.4039 122.7586 57.6998 63.9458 172.7473 99 I 4.8672 9.3372 127.9836 59.3684 41.7467 174.2082 100 E 5.1317 8.7866 124.5345 54.6446 32.3516 174.2095 101 D 4.9094 9.4477 125.9995 52.8037 44.8597 175.7019 102 S 4.8317 8.9369 119.5168 58.5274 63.7864 174.8277 103 V 4.0205 7.9904 120.7439 64.5309 32.1069 176.4294 104 I 4.0996 7.9487 111.6265 60.9292 38.3298 174.5047 105 S 4.6462 8.3361 114.0440 57.5173 65.4712 174.1086 106 L 4.6798 8.8883 122.4391 54.1789 41.6001 176.4944 107 S 4.4456 7.8573 111.8672 58.4023 66.1133 175.6007 108 G 3.8322 8.5183 109.2152 44.7074 0.0000 173.5124 109 D 4.4414 8.6605 117.1019 57.2736 40.6311 177.1906 110 H 5.0592 8.0505 114.2048 55.3447 29.1047 174.2457 111 S 4.9202 8.2472 114.8850 58.2071 62.6940 174.0264 112 I 3.9473 8.0433 118.8795 60.3355 38.0783 175.3749 113 I 3.6939 7.1159 123.0482 63.0278 37.2186 176.4799 114 G 3.8118 9.3777 113.3423 45.4920 0.0000 172.8465 115 R 4.8239 7.4612 119.4209 54.5785 33.8608 174.3412 116 T 4.9812 8.0280 115.3318 62.1242 71.4533 173.5427 117 L 4.7720 8.7400 128.9923 54.1294 43.8359 175.3828 118 V 4.9973 8.7674 126.2231 60.9406 35.1801 174.1897 119 V 5.0133 8.6427 126.8972 60.4788 33.7055 174.9209 120 H 5.2822 9.1613 121.9573 54.3855 30.3510 175.0764 121 E 4.1942 9.2760 121.7890 58.9457 30.0331 176.5187 122 K 4.7825 8.4566 117.3255 53.8014 36.1827 175.5013 123 A 4.5266 8.4206 122.5266 52.2150 19.2074 176.5784 124 D 4.8681 9.5857 121.5497 53.1266 41.9749 176.1046 125 D 4.6182 9.3027 125.1875 53.0321 39.4836 176.5694 126 L 3.6704 9.9378 119.1664 56.2188 39.7187 175.8437 127 G 4.0095 8.7463 104.0016 46.2123 0.0000 174.9348 128 K 4.5302 8.0544 116.4051 55.8502 32.0808 177.8235 129 G 3.7182 7.9259 110.7263 46.0611 0.0000 176.3411 130 G 3.8457 8.3623 106.8833 45.3559 0.0000 172.2950 131 N 5.0364 7.1697 115.7049 50.2652 40.2393 175.1884 132 E 4.0822 8.8119 117.3296 59.8101 29.3868 179.2383 133 E 3.8887 8.2101 118.5318 59.3644 29.3583 178.4616 134 S 4.1470 8.3408 113.4618 61.5250 62.4106 175.6889 135 T 4.2103 7.7820 110.5376 62.7138 68.5140 175.5423 136 K 4.2939 7.6970 119.6253 57.7564 34.1326 176.6734 137 T 4.1162 7.9891 106.1302 60.0492 70.1393 175.1121 138 G 3.8596 8.0233 110.5361 45.8011 0.0000 173.6374 139 N 4.3385 7.9032 114.3229 53.9916 36.6098 176.1780 140 A 4.1031 7.6252 120.5001 52.9156 19.2804 180.0226 141 G 3.8325 7.3431 104.6492 44.9858 0.0000 173.4621 142 S 4.3839 8.3332 114.6973 58.6706 64.7458 174.2935 143 R 4.4853 8.3304 119.9136 54.9123 29.7811 176.4335 144 L 4.2790 8.6569 125.7574 57.5365 42.8949 177.2547 145 A 5.0337 7.7448 117.9155 51.4215 22.8844 173.9359 146 C 5.6500 8.3243 113.0572 55.9446 46.2453 172.8589 147 G 4.6045 7.9901 103.0517 46.0008 0.0000 172.8308 148 V 4.2591 8.3764 123.0654 62.3810 32.7198 175.6232 149 I 4.0862 9.0930 129.7155 61.2980 37.7227 175.3241 150 G 4.4055 8.9197 115.1110 43.9137 0.0000 172.0115 151 I 4.2619 8.3147 121.7827 61.1647 37.6051 175.4806 152 A 4.8269 8.4820 128.1228 49.6803 22.0858 176.2196 153 Q 4.0717 8.5145 118.8223 56.4371 29.2158 176.0050 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 A 8.25 4.35 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 2 T 8.23 4.54 4.38 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 1.24 0.00 0.00 3 K 8.30 5.32 0.00 1.86 1.74 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.52 7.81 4 A 9.16 5.40 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 5 V 8.81 5.07 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 0.79 0.00 0.00 0.90 0.00 0.00 6 A 9.05 4.87 1.33 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 0.00 0.00 7 V 8.40 4.43 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 0.98 0.00 0.00 0.92 0.00 0.00 8 L 9.00 4.59 0.00 1.69 1.59 1.05 0.51 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 9 K 9.08 4.85 0.00 1.65 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 8.04 4.57 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 0.00 0.00 0.00 11 D 8.98 4.71 0.00 2.68 2.73 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 12 G 7.62 4.21 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 0.00 13 P 0.00 4.49 0.00 2.18 2.16 0.00 3.76 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 2.08 1.94 0.00 14 V 7.79 4.47 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 1.05 0.00 0.00 0.94 0.00 0.00 15 Q 7.79 4.75 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 16 G 7.63 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.71 5.13 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.02 0.83 0.00 0.00 18 I 8.68 4.61 1.79 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 1.24 1.18 0.46 0.00 0.00 19 N 8.39 4.91 0.00 1.44 1.57 0.00 0.00 6.36 8.26 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 20 F 8.84 5.34 0.00 2.83 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 21 E 9.53 5.19 0.00 2.52 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 2.34 2.55 0.00 22 Q 9.41 4.71 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 23 K 9.07 4.18 0.00 1.81 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.50 7.81 24 E 7.79 4.83 0.00 2.03 1.95 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 2.30 2.24 0.00 25 S 8.88 4.13 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.06 4.69 0.00 2.83 2.93 0.00 0.00 5.99 7.00 0.00 0.00 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 7.78 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.14 2.11 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 29 V 9.16 4.66 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.08 0.00 0.00 30 K 9.29 5.03 0.00 1.94 1.88 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.44 7.81 31 V 9.30 4.94 2.18 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 0.71 0.00 0.00 1.12 0.00 0.00 32 W 7.23 5.85 0.00 3.50 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.59 3.95 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 0.00 0.00 0.00 34 S 7.75 5.09 0.00 3.85 3.63 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 35 I 8.77 5.04 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.96 0.00 0.00 36 K 8.96 4.73 0.00 1.76 1.88 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.34 7.81 37 G 8.80 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 0.00 0.00 0.00 0.00 38 L 7.68 4.60 0.00 1.76 1.37 0.82 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.26 4.22 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 40 E 8.64 4.03 0.00 2.03 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 2.38 2.49 0.00 41 G 8.45 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 42 L 8.19 4.81 0.00 1.52 1.60 0.92 0.93 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 43 H 8.91 4.99 0.00 3.08 3.31 0.00 5.64 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 44 G 9.23 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 0.00 0.00 0.00 0.00 45 F 9.15 5.52 0.00 2.96 2.99 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 46 H 8.81 5.12 0.00 3.05 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.43 4.51 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 0.95 0.00 0.00 0.88 0.00 0.00 48 H 9.52 5.08 0.00 3.05 3.42 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.84 3.60 0.00 1.62 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 1.47 2.02 0.00 50 F 8.10 4.92 0.00 3.15 2.85 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 51 G 8.32 4.52 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 0.00 52 D 7.89 4.72 0.00 2.62 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 53 N 8.77 5.18 0.00 2.70 2.75 0.00 0.00 7.36 7.70 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 54 T 8.74 3.91 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 1.25 0.00 0.00 55 A 8.00 4.71 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 56 G 7.65 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.57 4.48 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 58 T 7.59 3.86 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 1.23 0.00 0.00 59 S 7.85 4.54 0.00 4.03 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 60 A 7.47 4.66 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 61 G 7.90 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 62 P 0.00 4.70 0.00 2.03 2.20 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 63 H 8.37 4.55 0.00 2.83 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.11 4.22 0.00 2.93 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 65 N 8.13 5.18 0.00 2.57 2.45 0.00 0.00 6.92 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 66 P 0.00 4.20 0.00 2.11 2.00 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 67 L 7.66 4.24 0.00 1.56 1.68 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.47 3.60 0.00 3.98 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 69 R 8.16 4.55 0.00 1.88 1.99 0.00 3.26 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 70 K 8.70 4.42 0.00 1.64 1.70 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.51 7.81 71 H 8.79 4.06 0.00 3.17 3.26 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.92 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 0.00 0.00 0.00 73 G 9.29 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.36 0.00 2.22 2.38 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 75 K 7.90 4.19 0.00 1.77 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 76 D 7.68 4.58 0.00 2.78 2.64 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 0.00 0.00 0.00 0.00 77 E 8.68 3.91 0.00 1.92 1.95 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 2.27 2.28 0.00 78 E 7.92 4.21 0.00 1.92 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 2.25 2.31 0.00 79 R 7.56 4.76 0.00 1.94 1.78 0.00 2.69 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 80 H 9.23 4.55 0.00 3.49 3.38 0.00 5.65 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 81 V 8.23 3.42 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 0.69 0.00 0.00 0.44 0.00 0.00 82 G 8.19 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 0.00 0.00 0.00 83 D 7.93 4.86 0.00 2.75 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 84 L 8.33 4.61 0.00 2.04 1.92 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.94 4.08 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 0.00 0.00 0.00 86 N 8.69 5.68 0.00 2.59 2.71 0.00 0.00 6.54 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 87 V 8.43 4.45 1.77 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 -0.08 0.00 0.00 0.76 0.00 0.00 88 T 8.29 5.09 4.21 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 1.20 0.00 0.00 89 A 8.75 4.94 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 90 D 8.73 4.91 0.00 2.85 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 91 K 8.43 4.34 0.00 1.88 2.00 0.00 1.17 0.00 0.00 2.36 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.43 7.81 92 D 8.28 4.50 0.00 2.85 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 93 G 8.79 4.35 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 0.00 94 V 8.41 4.83 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 95 A 9.16 5.20 1.13 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 0.00 0.00 96 D 8.59 5.08 0.00 2.56 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 97 V 8.25 3.58 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 0.64 0.00 0.00 0.54 0.00 0.00 98 S 8.40 4.81 0.00 3.89 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 99 I 9.34 4.87 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 1.03 0.00 0.00 100 E 8.79 5.13 0.00 1.96 1.81 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 2.22 2.33 0.00 101 D 9.45 4.91 0.00 2.78 2.52 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 0.00 102 S 8.94 4.83 0.00 3.91 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 0.00 103 V 7.99 4.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 104 I 7.95 4.10 1.92 0.00 0.00 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 1.49 0.80 1.04 0.00 0.00 105 S 8.34 4.65 0.00 3.89 3.82 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 0.00 106 L 8.89 4.68 0.00 1.90 1.67 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.86 4.45 0.00 3.95 3.79 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 0.00 108 G 8.52 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 0.00 0.00 0.00 109 D 8.66 4.44 0.00 2.60 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 0.00 110 H 8.05 5.06 0.00 3.22 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.25 4.92 0.00 4.03 3.81 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 0.00 112 I 8.04 3.95 1.62 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.14 0.99 0.00 0.00 113 I 7.12 3.69 1.78 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 1.13 0.81 0.84 0.00 0.00 114 G 9.38 3.81 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 0.00 0.00 0.00 115 R 7.46 4.82 0.00 1.63 1.84 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.00 116 T 8.03 4.98 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 1.17 0.00 0.00 117 L 8.74 4.77 0.00 1.79 1.53 0.41 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.77 5.00 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 0.73 0.00 0.00 119 V 8.64 5.01 2.29 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 0.73 0.00 0.00 1.01 0.00 0.00 120 H 9.16 5.28 0.00 3.30 3.57 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.28 4.19 0.00 2.10 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 2.34 0.00 122 K 8.46 4.78 0.00 1.73 1.69 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 A 8.42 4.53 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 0.00 124 D 9.59 4.87 0.00 2.78 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 0.00 125 D 9.30 4.62 0.00 2.88 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 0.00 126 L 9.94 3.67 0.00 1.84 1.77 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.75 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 0.00 0.00 0.00 128 K 8.05 4.53 0.00 1.76 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.48 7.81 129 G 7.93 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 0.00 130 G 8.36 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 0.00 0.00 0.00 131 N 7.17 5.04 0.00 2.71 2.80 0.00 0.00 6.90 7.54 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 0.00 132 E 8.81 4.08 0.00 2.02 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 2.40 2.38 0.00 133 E 8.21 3.89 0.00 2.06 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 0.00 2.43 2.41 0.00 134 S 8.34 4.15 0.00 4.15 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 0.00 135 T 7.78 4.21 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 0.00 136 K 7.70 4.29 0.00 1.78 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.43 7.81 137 T 7.99 4.12 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 1.19 0.00 0.00 138 G 8.02 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 0.00 139 N 7.90 4.34 0.00 2.90 2.90 0.00 0.00 6.92 8.84 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 0.00 140 A 7.63 4.10 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 0.00 141 G 7.34 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 0.00 0.00 0.00 142 S 8.33 4.38 0.00 3.98 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 0.00 143 R 8.33 4.49 0.00 1.68 1.85 0.00 3.25 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 144 L 8.66 4.28 0.00 1.64 1.71 0.99 0.48 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 0.00 145 A 7.74 5.03 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 0.00 146 C 8.32 5.65 0.00 3.01 3.11 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 0.00 147 G 7.99 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.38 4.26 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 0.77 0.00 0.00 0.97 0.00 0.00 149 I 9.09 4.09 1.81 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 1.07 0.37 0.47 0.00 0.00 150 G 8.92 4.41 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 0.00 0.00 0.00 151 I 8.31 4.26 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 152 A 8.48 4.83 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 0.00 153 Q 8.51 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00