NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3562 8.2649 123.5836 52.4083 19.0606 176.2275 2 T 4.2041 8.3475 119.2028 66.1163 69.7547 173.2840 3 K 5.3000 8.4228 120.5713 54.7847 36.9594 174.6575 4 A 5.1305 8.8619 122.9119 51.3687 23.5058 175.0764 5 V 5.0147 8.7515 117.2499 61.4475 35.5406 173.2064 6 C 4.7823 8.8637 121.2561 58.4799 35.4640 172.5752 7 V 4.5973 8.4557 126.5759 61.5888 32.9361 174.3237 8 L 4.5675 8.8395 129.3160 54.1766 43.0166 176.3133 9 K 4.9155 8.8218 121.9767 55.4851 37.4161 175.1586 10 G 4.0826 8.0406 107.0041 46.2139 0.0000 173.0899 11 D 4.5256 9.0144 119.2371 57.1273 40.9465 177.7203 12 G 3.8728 7.7309 106.7961 44.7133 0.0000 170.8964 13 P 4.5111 0.0000 0.0000 62.9583 31.8517 176.4489 14 V 3.9783 7.5250 119.8606 63.0703 32.3705 174.6417 15 Q 4.6669 8.1673 122.0384 56.1027 32.2551 172.9931 16 G 4.1707 7.5266 106.2033 46.3990 0.0000 171.7370 17 I 5.1429 7.8335 119.2588 59.4515 40.9460 175.2795 18 I 4.6452 8.6112 126.3989 59.5606 41.0166 174.4371 19 N 5.2788 8.4632 123.5849 51.5972 41.7154 173.7632 20 F 5.4893 9.1154 118.3552 56.1159 43.9593 173.8879 21 E 5.1090 9.3588 122.5358 55.2821 33.2069 173.5914 22 Q 5.0556 9.4120 129.2737 53.9278 29.1489 174.8656 23 K 4.1271 8.8174 124.7423 58.2424 32.7592 177.5076 24 E 4.6310 7.9048 117.9899 53.8430 31.4520 175.2024 25 S 4.1692 8.8036 117.5435 60.3698 62.5940 173.3462 26 N 4.2335 8.2205 120.0926 54.0326 37.1298 175.3817 27 G 3.9662 7.9626 109.2782 44.5331 0.0000 171.6521 28 P 4.8055 0.0000 0.0000 62.1366 33.2082 175.8862 29 V 4.6064 8.5364 118.6918 61.0040 34.3818 174.4663 30 K 4.6759 9.0099 128.9504 56.2234 33.5406 176.3691 31 V 4.7371 9.1761 125.5662 60.8280 33.9599 174.2728 32 W 5.4387 8.4136 124.0469 54.9006 31.9928 175.1709 33 G 3.7341 7.4236 106.7717 46.4375 0.0000 170.9587 34 S 5.0238 7.6831 114.4064 57.2612 66.5168 174.5953 35 I 5.0507 8.6963 127.1870 59.3370 40.7396 174.5977 36 K 4.8849 9.3269 124.1931 55.4417 36.5391 176.1291 37 G 3.7775 8.9630 106.5111 46.4388 0.0000 173.3227 38 L 4.7244 7.6176 118.4114 52.1885 44.2354 176.4560 39 T 4.1091 8.2778 111.4344 61.0091 69.5449 173.9698 40 E 4.3617 8.1207 124.4740 57.3380 30.6174 176.4096 41 G 3.8779 8.5153 109.1039 43.9538 0.0000 172.5332 42 L 4.8648 8.1077 119.1840 54.9194 43.1022 176.4655 43 H 5.0676 9.0724 118.2460 54.0525 33.5530 173.6325 44 G 4.0413 9.0736 110.3805 46.8701 0.0000 172.8803 45 F 5.2428 8.3496 123.3631 57.8755 42.1515 172.6466 46 H 5.0743 8.8980 122.9631 54.1477 33.9496 172.7550 47 V 4.4084 8.5849 121.2883 62.5722 32.5733 175.2155 48 H 5.1094 9.3447 125.2532 54.1031 31.0746 175.6571 49 E 3.8279 8.7779 121.3633 58.6270 29.4562 177.1922 50 F 5.2531 8.1348 117.4020 55.6872 41.7458 175.4120 51 G 3.8836 8.5200 111.0925 44.8033 0.0000 173.1445 52 D 4.8574 8.0841 118.8392 52.5309 42.6413 175.1880 53 N 5.3885 8.3982 122.1821 52.1698 40.2173 175.5507 54 T 3.9309 8.1076 116.2454 66.5907 68.6788 175.0576 55 A 4.6443 8.6817 124.5728 51.2133 19.1284 176.3131 56 G 3.8327 7.6394 116.1962 46.4454 0.0000 174.7058 57 C 4.3957 8.5820 116.2384 59.3294 38.6023 175.8630 58 T 3.7584 7.4719 116.5607 66.4730 67.6106 176.5963 59 S 4.2029 8.1121 115.7709 61.2248 63.1210 175.8537 60 A 4.4154 7.3697 124.7831 54.2047 18.1520 178.4059 61 G 4.0484 8.0112 104.6311 44.1101 0.0000 170.6914 62 P 4.6999 0.0000 0.0000 62.0346 33.5051 175.2504 63 H 4.1728 8.6738 116.5821 55.8403 29.5217 175.4965 64 F 4.2696 8.9125 124.7896 58.8115 39.8685 174.1115 65 N 5.1514 8.2394 125.3619 51.5713 39.0954 172.4063 66 P 4.1904 0.0000 0.0000 64.1727 32.3050 178.0193 67 L 4.3353 7.6777 116.9113 53.7035 41.8279 176.2180 68 S 3.5963 7.2972 113.1591 59.5634 60.7695 172.4421 69 R 4.3850 7.8870 117.4102 55.0296 31.6866 176.4281 70 K 4.4385 7.9796 118.2997 55.8937 33.0096 177.1564 71 H 3.8478 8.5248 122.8947 57.0321 30.6061 174.5780 72 G 4.0269 7.2463 108.8517 46.3028 0.0000 172.5489 73 G 4.0862 8.5354 108.9894 43.7499 0.0000 173.3611 74 P 4.4766 0.0000 0.0000 64.6943 31.5279 177.7726 75 K 4.2221 7.8958 115.9372 57.1980 32.5749 176.7548 76 D 4.5318 7.4245 118.3866 54.4037 41.4140 176.2038 77 E 4.0028 8.6007 121.5884 58.7644 29.6878 176.7698 78 E 4.1161 7.9366 125.0308 56.1166 28.8655 175.2559 79 R 4.6403 7.7962 121.0027 54.9622 32.5000 174.5399 80 H 4.4859 9.4308 116.8115 55.2440 29.4167 176.9655 81 V 3.4510 8.4088 123.0567 66.1277 31.3655 177.0087 82 G 3.9316 8.2197 106.4480 45.7932 0.0000 172.9342 83 D 5.0455 8.1723 121.7704 53.5165 39.6351 176.0648 84 L 4.6578 8.4025 122.5494 53.7850 43.1490 178.7841 85 G 3.8170 7.8326 111.1747 47.2451 0.0000 175.4335 86 N 5.6985 8.8009 120.7739 51.2273 42.1582 172.5694 87 V 4.5084 8.6459 112.4459 59.9216 36.5834 174.8484 88 T 5.0911 8.2807 117.9237 61.8239 71.7499 172.8180 89 A 4.9638 8.9636 128.6531 50.4031 21.2084 176.4373 90 D 4.5497 8.9396 122.7898 52.9045 42.6910 178.4881 91 K 3.9405 8.8923 119.1674 60.2642 31.8281 178.8248 92 D 4.4339 8.1520 115.4254 54.4329 40.9547 177.5359 93 G 4.0785 7.6607 106.4923 46.0083 0.0000 172.9243 94 V 4.6002 7.2517 119.9747 61.4011 33.2941 174.5096 95 A 5.3318 8.9362 130.1351 49.7736 21.1211 175.3031 96 D 5.0067 8.6361 123.7087 52.9806 40.8217 176.2971 97 V 3.7177 8.3239 124.1997 62.8406 33.0758 175.0843 98 S 4.8513 8.2915 119.1852 57.9731 64.9500 174.0555 99 I 4.7493 8.7860 127.9100 60.0006 41.7196 174.0003 100 E 5.1476 8.6922 125.1611 55.2228 31.9355 174.8498 101 D 4.7729 8.3793 119.5381 53.2938 45.1859 175.6265 102 S 4.6858 8.6513 117.7645 58.0339 64.0126 174.9935 103 V 3.8175 8.2150 122.7251 65.8477 31.4520 176.7950 104 I 4.2515 7.7776 111.1446 60.8030 38.7913 174.4467 105 S 4.6854 8.1898 113.5294 57.3844 65.0332 174.3752 106 L 4.4187 9.3029 124.4724 55.0334 42.0575 176.2442 107 S 4.6444 7.6855 111.7310 56.8989 66.3057 173.6791 108 G 3.8109 8.4577 108.3025 45.0964 0.0000 173.5515 109 D 4.8715 8.5402 118.0868 53.7926 39.7012 176.1937 110 H 4.9604 8.0545 115.5606 55.9052 28.9380 174.5025 111 C 4.3341 7.8037 121.5406 59.9845 31.7939 173.4395 112 I 3.9863 8.1077 118.6323 60.3260 37.8594 175.3645 113 I 3.7458 7.2954 123.2264 62.9614 37.2745 176.0744 114 G 3.9025 9.2379 113.7343 44.9456 0.0000 172.5437 115 R 4.6189 7.4451 117.5947 54.2528 33.9044 175.1288 116 T 4.6284 7.8167 117.9669 63.0655 70.3020 173.7627 117 L 4.7534 8.5686 127.9013 53.8868 44.3687 175.3680 118 V 4.9384 8.7656 124.9497 61.1265 35.2692 174.1074 119 V 5.1747 8.5639 126.5728 60.4287 34.0716 174.3716 120 H 5.0618 8.7242 119.5987 53.8820 31.6460 174.0365 121 E 4.1607 9.1697 120.9681 59.3737 29.8677 176.3051 122 K 4.8416 8.5169 117.5344 53.9828 36.0441 174.9541 123 A 4.5053 8.3522 121.7041 52.2752 19.5638 176.7937 124 D 4.7544 9.5306 122.5870 54.1925 41.6093 175.8031 125 D 4.6760 9.1989 124.5601 52.6224 39.7747 176.8515 126 L 3.4662 9.4257 118.0245 56.0842 39.5279 175.7435 127 G 4.0578 8.8128 106.3030 45.5362 0.0000 174.7666 128 K 4.5095 7.7634 117.9744 56.2426 32.5974 177.6218 129 G 3.7113 7.6135 108.7381 44.9310 0.0000 176.2699 130 G 3.8351 8.2210 107.1227 45.7531 0.0000 172.6845 131 N 4.9687 7.2751 115.1931 50.1938 40.2766 174.6834 132 E 4.0302 8.7434 118.7469 59.4743 29.9734 178.5189 133 E 3.9576 8.2315 118.4961 59.3401 29.3895 178.5238 134 S 4.1720 8.2496 113.5260 60.9926 62.3541 175.1232 135 T 4.4677 7.6527 110.6847 61.7240 68.3850 174.9960 136 K 4.2405 7.6713 118.2819 58.1346 34.0996 177.1244 137 T 3.9548 7.9856 106.2243 60.3725 69.6108 175.2127 138 G 3.8187 8.2612 109.8615 46.2545 0.0000 173.6732 139 N 4.3618 7.7829 113.3600 53.8704 36.8794 176.5576 140 A 4.3760 7.0714 122.0477 52.9476 18.9220 179.1435 141 G 3.7602 7.3104 100.5900 43.9955 0.0000 172.5950 142 S 4.3742 8.0308 112.6968 58.7056 64.7517 173.9231 143 R 4.5883 8.2608 119.3566 54.5251 29.1248 176.3750 144 L 4.2621 8.3902 124.5191 57.4149 42.3925 177.2702 145 A 4.9337 7.6648 118.0290 51.2476 22.9552 173.8145 146 C 5.1071 9.5737 113.7992 55.2798 46.8108 172.8178 147 G 4.5724 8.1798 104.0187 46.0328 0.0000 173.1418 148 V 4.2944 8.3694 121.2335 62.6995 32.7268 175.2900 149 I 4.2786 8.2671 127.9652 60.3461 38.4683 175.2338 150 G 4.4968 9.2163 113.6518 43.9271 0.0000 171.5201 151 I 4.3415 8.2899 120.8816 60.9543 37.5595 175.7752 152 A 4.7691 8.0847 128.8309 49.6717 21.7514 176.4487 153 Q 4.0684 8.4938 118.9169 56.4526 29.1845 176.1302 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 8.26 4.36 1.28 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 0.00 0.00 0.00 2 T 8.35 4.20 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 1.27 0.00 0.00 3 K 8.42 5.30 0.00 1.72 1.74 0.00 1.94 0.00 0.00 1.97 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.48 7.81 4 A 8.86 5.13 1.08 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 5 V 8.75 5.01 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 0.65 0.00 0.00 0.89 0.00 0.00 6 C 8.86 4.78 0.00 3.05 2.94 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 7 V 8.46 4.60 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.84 4.57 0.00 1.76 1.59 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.82 4.92 0.00 1.61 1.63 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.52 7.81 10 G 8.04 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 11 D 9.01 4.53 0.00 2.68 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 12 G 7.73 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 13 P 0.00 4.51 0.00 2.18 2.16 0.00 3.77 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 1.96 1.94 0.00 14 V 7.53 3.98 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 0.87 0.00 0.00 0.99 0.00 0.00 15 Q 8.17 4.67 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 16 G 7.53 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.83 5.14 1.79 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 1.48 0.84 0.00 0.00 18 I 8.61 4.65 1.92 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 1.27 1.18 0.58 0.00 0.00 19 N 8.46 5.28 0.00 1.44 1.95 0.00 0.00 6.45 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.12 5.49 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.36 5.11 0.00 2.37 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 2.39 0.00 22 Q 9.41 5.06 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 23 K 8.82 4.13 0.00 1.81 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.50 7.81 24 E 7.90 4.63 0.00 2.02 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 2.31 2.27 0.00 25 S 8.80 4.17 0.00 3.84 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 26 N 8.22 4.23 0.00 2.98 2.88 0.00 0.00 7.01 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.96 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 0.00 0.00 0.00 28 P 0.00 4.81 0.00 2.12 2.11 0.00 3.74 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 1.98 0.00 29 V 8.54 4.61 2.32 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 1.22 0.00 0.00 1.09 0.00 0.00 30 K 9.01 4.68 0.00 1.86 1.82 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.40 7.81 31 V 9.18 4.74 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 0.68 0.00 0.00 0.93 0.00 0.00 32 W 8.41 5.44 0.00 3.61 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 33 G 7.42 3.73 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 0.00 34 S 7.68 5.02 0.00 3.91 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 8.70 5.05 1.81 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 1.27 0.47 0.94 0.00 0.00 36 K 9.33 4.88 0.00 1.70 1.84 0.00 1.31 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 1.35 1.34 7.81 37 G 8.96 3.78 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 0.00 0.00 0.00 38 L 7.62 4.72 0.00 1.80 1.41 0.83 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.28 4.11 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 1.24 0.00 0.00 40 E 8.12 4.36 0.00 2.01 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 2.31 2.31 0.00 41 G 8.52 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 8.11 4.86 0.00 1.50 1.59 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.07 5.07 0.00 3.03 3.28 0.00 5.62 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 9.07 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.35 5.24 0.00 2.99 3.04 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 0.00 0.00 0.00 46 H 8.90 5.07 0.00 3.06 3.05 0.00 5.85 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 47 V 8.58 4.41 2.15 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 0.82 0.00 0.00 0.93 0.00 0.00 48 H 9.34 5.11 0.00 3.01 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.78 3.83 0.00 1.72 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 1.68 2.26 0.00 50 F 8.13 5.25 0.00 3.22 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 51 G 8.52 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 52 D 8.08 4.86 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 53 N 8.40 5.39 0.00 2.68 2.73 0.00 0.00 7.27 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 54 T 8.11 3.93 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 1.20 0.00 0.00 55 A 8.68 4.64 1.23 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 56 G 7.64 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 57 C 8.58 4.40 0.00 2.97 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 7.47 3.76 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 1.23 0.00 0.00 59 S 8.11 4.20 0.00 3.98 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 60 A 7.37 4.42 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 61 G 8.01 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 62 P 0.00 4.70 0.00 2.07 2.20 0.00 3.45 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 1.93 1.94 0.00 63 H 8.67 4.17 0.00 2.94 3.27 0.00 5.72 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 8.91 4.27 0.00 2.88 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.24 5.15 0.00 2.46 2.38 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 4.19 0.00 2.05 1.84 0.00 3.30 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 0.00 67 L 7.68 4.34 0.00 1.58 1.68 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.30 3.60 0.00 3.96 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 69 R 7.89 4.39 0.00 1.91 1.86 0.00 3.61 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 70 K 7.98 4.44 0.00 1.60 1.71 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.51 7.81 71 H 8.52 3.85 0.00 3.04 3.07 0.00 5.99 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 7.25 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 0.00 0.00 0.00 73 G 8.54 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 74 P 0.00 4.48 0.00 2.23 2.36 0.00 3.38 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 75 K 7.90 4.22 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 76 D 7.42 4.53 0.00 2.95 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 77 E 8.60 4.00 0.00 1.92 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 2.25 2.28 0.00 78 E 7.94 4.12 0.00 2.06 1.83 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 2.35 2.32 0.00 79 R 7.80 4.64 0.00 1.84 1.78 0.00 3.33 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 80 H 9.43 4.49 0.00 3.54 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.41 3.45 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.52 0.00 0.00 82 G 8.22 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 0.00 0.00 0.00 83 D 8.17 5.05 0.00 2.80 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 84 L 8.40 4.66 0.00 2.04 1.89 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.83 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 0.00 0.00 0.00 86 N 8.80 5.70 0.00 2.59 2.71 0.00 0.00 6.53 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 8.65 4.51 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.76 0.00 0.00 88 T 8.28 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 8.96 4.96 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 90 D 8.94 4.55 0.00 3.00 2.83 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 91 K 8.89 3.94 0.00 1.78 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.43 7.81 92 D 8.15 4.43 0.00 2.91 2.68 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 0.00 0.00 0.00 0.00 93 G 7.66 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 94 V 7.25 4.60 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 0.78 0.00 0.00 0.92 0.00 0.00 95 A 8.94 5.33 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.64 5.01 0.00 2.56 2.67 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 97 V 8.32 3.72 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 0.76 0.00 0.00 0.59 0.00 0.00 98 S 8.29 4.85 0.00 3.93 3.70 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 99 I 8.79 4.75 1.94 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 1.25 0.35 0.98 0.00 0.00 100 E 8.69 5.15 0.00 1.86 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 2.25 2.29 0.00 101 D 8.38 4.77 0.00 2.88 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.65 4.69 0.00 3.99 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 0.00 103 V 8.22 3.82 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 104 I 7.78 4.25 2.00 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 1.58 0.84 1.07 0.00 0.00 105 S 8.19 4.69 0.00 3.89 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 0.00 106 L 9.30 4.42 0.00 1.84 1.68 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.69 4.64 0.00 3.93 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 0.00 108 G 8.46 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 0.00 109 D 8.54 4.87 0.00 2.87 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 0.00 110 H 8.05 4.96 0.00 3.19 3.44 0.00 5.73 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 0.00 111 C 7.80 4.33 0.00 2.99 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 0.00 112 I 8.11 3.99 1.70 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 1.37 0.26 1.06 0.00 0.00 113 I 7.30 3.75 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.39 0.83 0.00 0.00 114 G 9.24 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.45 4.62 0.00 1.60 1.78 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 1.35 1.36 0.00 116 T 7.82 4.63 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 0.00 117 L 8.57 4.75 0.00 1.76 1.50 0.52 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.77 4.94 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 0.74 0.00 0.00 0.71 0.00 0.00 119 V 8.56 5.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 120 H 8.72 5.06 0.00 3.21 3.50 0.00 5.66 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 0.00 121 E 9.17 4.16 0.00 2.15 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 2.36 2.34 0.00 122 K 8.52 4.84 0.00 1.67 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.35 4.51 1.23 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 0.00 124 D 9.53 4.75 0.00 2.77 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 9.20 4.68 0.00 2.94 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 0.00 126 L 9.43 3.47 0.00 1.81 1.79 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.81 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.76 4.51 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.51 7.81 129 G 7.61 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 0.00 130 G 8.22 3.84 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 0.00 0.00 0.00 131 N 7.28 4.97 0.00 2.91 2.81 0.00 0.00 6.80 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 8.74 4.03 0.00 2.06 1.98 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 2.37 2.36 0.00 133 E 8.23 3.96 0.00 2.11 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 2.37 2.47 0.00 134 S 8.25 4.17 0.00 4.12 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 7.65 4.47 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 1.20 0.00 0.00 136 K 7.67 4.24 0.00 1.76 1.77 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.48 7.81 137 T 7.99 3.95 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 1.27 0.00 0.00 138 G 8.26 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 0.00 0.00 0.00 139 N 7.78 4.36 0.00 3.07 2.89 0.00 0.00 6.93 7.42 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 0.00 140 A 7.07 4.38 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 0.00 141 G 7.31 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 0.00 142 S 8.03 4.37 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.26 4.59 0.00 1.66 1.82 0.00 3.19 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 144 L 8.39 4.26 0.00 1.66 1.73 0.99 0.69 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 0.00 145 A 7.66 4.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 C 9.57 5.11 0.00 3.02 3.09 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 0.00 147 G 8.18 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 0.00 148 V 8.37 4.29 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 0.75 0.00 0.00 0.94 0.00 0.00 149 I 8.27 4.28 1.75 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.32 0.45 0.00 0.00 150 G 9.22 4.50 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 0.00 0.00 0.00 151 I 8.29 4.34 1.85 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 1.24 0.53 0.90 0.00 0.00 152 A 8.08 4.77 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 0.00 153 Q 8.49 4.07 0.00 2.04 2.02 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