NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0846 8.0549 120.3901 62.4087 32.4038 175.2402 2 L 3.9567 8.2398 127.4942 52.4923 42.2660 176.0433 3 S 4.5234 9.5958 118.5891 57.7729 66.2081 175.0608 4 E 4.2583 8.8179 121.7587 59.5275 29.2444 179.7197 5 G 3.7249 8.1602 105.2196 48.0223 0.0000 175.3268 6 E 3.9310 8.2152 121.2603 58.7809 29.3613 179.4325 7 W 4.4738 8.2331 119.1132 60.0281 29.1304 178.1909 8 Q 4.0850 8.6962 119.7790 59.4080 28.2635 178.6195 9 L 4.1125 7.9695 119.5382 57.5024 41.6432 179.5876 10 V 3.7802 8.0707 118.2865 66.2387 31.6674 178.0366 11 L 4.3956 8.5275 118.0962 56.9927 41.3035 178.9303 12 H 4.1975 8.3396 118.6381 59.2317 30.2139 177.2322 13 V 3.7148 7.7809 121.2064 64.6131 31.1912 178.1364 14 W 3.8107 8.6285 128.6947 59.9034 30.5765 177.8296 15 A 4.0314 8.2254 120.9203 54.8272 17.2045 179.6970 16 K 3.8207 7.7172 117.1523 59.2246 31.9587 179.6705 17 V 3.0920 7.0538 118.7842 65.3130 31.0565 177.3547 18 E 3.9726 7.0591 115.2480 57.5542 29.3705 178.0031 19 A 4.2506 7.3035 119.4050 53.0531 20.3750 177.5200 20 D 4.6520 7.8358 116.4371 52.0902 42.8141 175.6472 21 V 3.4716 7.8038 123.7525 66.0375 32.0979 176.7401 22 A 4.0597 8.0154 120.0923 55.0967 18.2311 179.7215 23 G 3.5570 8.6060 104.4173 45.9578 0.0000 175.6414 24 H 4.1039 8.2225 118.7891 58.6862 28.6978 178.1676 25 G 3.5609 8.2970 107.5332 47.7117 0.0000 175.8315 26 Q 3.8768 8.1953 120.3611 59.0080 28.7888 178.6251 27 D 4.2862 7.9838 119.8916 57.2395 40.7359 178.9941 28 I 3.7095 7.9969 120.7518 64.2810 37.0702 178.4932 29 L 3.4535 7.8624 119.9382 57.4312 41.2388 179.5251 30 I 3.5898 7.7897 120.1931 64.4127 36.9737 178.4050 31 R 3.8089 7.9038 119.4041 59.1044 29.7897 178.1647 32 L 3.9370 7.8849 120.2576 58.4405 42.2135 179.1611 33 F 4.5859 8.0224 117.7323 60.5010 38.5898 178.0471 34 K 4.1442 8.3315 117.9417 59.4671 31.9302 179.3129 35 S 4.3465 8.2100 114.9744 60.3279 64.0381 174.4878 36 H 4.5976 8.1942 118.5778 52.2169 29.9422 171.9153 37 P 4.5511 0.0000 0.0000 64.2490 31.5388 177.3721 38 E 4.0824 8.2741 116.6394 59.6077 29.3144 179.2302 39 T 4.0475 8.1648 111.3547 64.6148 68.8815 176.4758 40 L 3.6972 7.9969 122.7418 57.5985 41.8029 178.4258 41 E 4.0403 7.7349 117.0928 58.6162 29.6233 178.3080 42 K 4.4559 8.0670 116.6582 56.9846 32.4999 176.6633 43 F 4.6748 8.2941 119.1127 55.4114 39.0662 175.8428 44 D 4.3543 8.6058 127.2148 57.1316 41.0009 179.2822 45 R 3.7224 7.9732 118.2495 58.5368 30.0805 176.6783 46 F 5.0370 8.2714 113.8354 56.6108 40.8043 176.5550 47 K 4.0974 7.6248 119.7212 58.7295 32.3254 177.6646 48 H 4.3510 8.1056 114.6091 57.1852 28.8609 175.1280 49 L 4.3517 7.7140 121.8333 54.1991 41.5953 176.6011 50 K 4.5227 9.5162 122.9268 56.1345 33.9344 176.6102 51 T 4.7415 7.4332 108.7930 58.9571 73.3113 174.1851 52 E 3.9145 8.6801 121.5674 59.1972 29.7597 178.8574 53 A 4.0928 7.9659 120.6978 54.9851 18.2352 179.3130 54 E 3.9089 8.1472 116.4294 59.7953 29.9953 178.9810 55 M 4.1510 8.1494 118.7590 58.5565 31.8411 179.0905 56 K 3.9899 8.4131 117.2884 58.8160 32.2731 178.3603 57 A 4.4911 7.5508 118.5306 51.4150 19.2736 176.9583 58 S 4.3451 7.5899 113.7057 57.2197 62.7743 174.4360 59 E 3.9796 8.8880 129.2986 59.3078 29.4937 177.8221 60 D 4.4355 8.2522 117.7812 57.4225 41.1926 177.9968 61 L 3.5947 8.1587 120.8575 57.6661 42.1418 178.7686 62 K 3.8495 7.9982 119.6332 59.4040 32.1422 178.6684 63 K 3.9329 8.3345 119.0125 60.1102 31.9780 178.8052 64 H 4.4403 8.6907 118.2951 58.8769 29.7667 177.3418 65 G 3.6381 8.3247 108.0753 47.9110 0.0000 175.8417 66 V 3.6393 7.7543 120.1671 65.7655 31.6529 178.0107 67 T 3.8882 8.0271 115.6775 66.7594 68.2682 176.3850 68 V 3.6216 7.9391 119.9335 66.3144 31.5414 178.1758 69 L 4.2270 8.1737 118.3572 57.8428 41.4254 179.6604 70 T 3.9895 8.4215 116.3371 66.3763 68.4747 176.6197 71 A 3.9894 8.0008 122.5037 55.1497 18.3916 179.4636 72 L 3.8125 8.2883 119.3051 57.9916 42.0456 179.3585 73 G 3.2571 8.4766 105.8953 47.7261 0.0000 175.5738 74 A 4.0056 7.7861 122.1104 54.6696 18.5852 179.5691 75 I 3.8634 7.4909 118.1857 64.4475 37.2182 178.4867 76 L 3.9812 7.8165 120.0721 57.6631 41.2035 179.4136 77 K 4.0092 7.8191 116.4457 57.9302 32.2171 178.3526 78 K 4.0655 7.7692 118.4093 55.0610 32.9417 176.2137 79 K 2.0000 8.3484 118.4125 56.4478 29.7494 174.5717 80 G 4.0602 7.9319 105.7311 45.7714 0.0000 173.8086 81 H 4.6015 7.5869 118.9342 54.8924 27.2891 174.6685 82 H 5.3984 7.2594 111.5075 54.2915 29.9103 176.7773 83 E 3.9196 8.5064 122.6602 60.1237 29.2230 178.0665 84 A 4.0236 7.9533 119.1146 55.3845 18.4852 179.0189 85 E 4.1029 8.0909 116.5152 59.4553 29.6106 179.2903 86 L 4.1420 8.2670 119.1109 56.9611 41.5705 179.0196 87 K 3.9269 7.9419 120.0622 59.2809 32.0595 176.9771 88 P 4.2572 0.0000 0.0000 65.5830 31.2755 178.0573 89 L 3.9761 7.5439 120.1082 57.8874 41.9842 178.7513 90 A 4.1232 8.7268 121.3190 55.3044 18.3507 179.4561 91 Q 3.7999 8.3588 117.1163 59.2693 28.8571 179.5645 92 S 3.9961 8.2050 115.1530 61.7047 62.9989 176.2065 93 H 4.1950 8.5306 119.7216 58.2295 28.5434 177.7513 94 A 2.9632 7.9625 123.2280 54.7131 17.8981 179.3072 95 T 3.7845 7.0823 106.9743 61.2527 69.7265 175.4650 96 K 4.1826 7.4273 120.5729 58.2677 33.2670 176.8674 97 H 4.3319 8.2025 113.8343 56.0515 29.4010 175.1176 98 K 3.8132 7.6433 116.2068 57.0289 28.4041 176.4172 99 I 4.2536 7.7932 119.2017 58.7432 38.6906 175.0648 100 P 4.4457 0.0000 0.0000 62.1631 32.1343 177.3919 101 I 3.4002 8.5087 122.2578 64.8345 36.9077 178.5665 102 K 3.7699 7.8338 119.4059 59.3909 31.9990 178.1875 103 Y 4.1677 7.8486 116.8048 60.4161 37.6970 178.1157 104 L 4.1675 7.9365 120.5214 57.2769 41.7053 178.8316 105 E 3.9301 7.8765 119.0436 59.2991 29.6401 178.6722 106 F 4.4763 7.7960 117.7317 60.8535 38.9423 177.5949 107 I 3.9209 8.2378 118.0078 63.8502 37.6827 178.0628 108 S 4.1805 8.2077 116.5000 61.5239 62.5322 176.3654 109 E 4.0333 8.5418 121.1658 59.3914 29.1748 179.2497 110 A 4.0258 8.1784 120.8556 55.0922 18.4273 179.7346 111 I 3.6735 8.1730 118.6793 64.6634 37.2247 178.7159 112 I 3.8626 8.0443 120.6963 64.6101 36.9224 177.9797 113 H 4.0729 8.5365 119.2171 59.4002 29.6772 177.5279 114 V 3.5713 8.0273 120.1109 65.9773 31.3342 178.0012 115 L 3.7650 7.9445 118.8145 57.6474 41.0232 178.9942 116 H 4.3782 7.8254 117.6937 59.2785 29.9312 177.1871 117 S 4.1862 7.8892 115.8246 61.7140 62.8460 176.5293 118 R 4.1080 7.7988 118.1960 57.2748 31.2729 176.4236 119 H 5.0020 8.0901 116.2294 53.8781 29.8436 173.0263 120 P 4.3015 0.0000 0.0000 65.7252 31.6923 178.9691 121 G 3.7733 8.0874 106.0479 47.1525 0.0000 173.6262 122 D 5.0229 8.0825 118.4189 54.0302 41.5845 176.4601 123 F 4.9856 8.1020 120.9236 56.2320 39.6591 174.3870 124 G 3.8618 7.9274 108.1033 44.2706 0.0000 172.6853 125 A 3.9823 8.4114 120.9298 54.9157 18.2419 179.4089 126 D 4.2075 8.0117 117.0490 56.8020 39.3345 178.7399 127 A 3.9859 7.7701 121.8956 54.5558 18.3454 179.4527 128 Q 3.1756 8.0216 117.2279 58.7599 28.6586 179.2537 129 G 3.4665 8.4069 106.9932 47.5157 0.0000 175.7375 130 A 3.8566 7.9585 123.1392 55.1586 18.3325 179.4324 131 M 4.0827 8.3994 117.1544 58.5401 32.2896 177.7685 132 N 4.2753 8.4331 117.6024 56.7690 39.1038 176.8243 133 K 3.8415 8.1101 119.4485 59.5146 32.1570 179.1532 134 A 3.8556 8.2405 121.2664 55.1639 18.2115 179.7365 135 L 4.0512 8.2664 117.7174 57.7832 41.6391 179.4874 136 E 3.9850 8.6815 119.2050 59.2733 29.3959 179.1442 137 L 3.9837 8.1571 120.4304 57.9477 42.1352 178.5075 138 F 4.1108 8.3465 120.6682 61.6827 39.3008 177.4023 139 R 3.6335 8.3431 117.4986 58.8694 29.8848 178.9062 140 K 3.8053 8.3840 119.8397 59.8277 32.0976 178.6035 141 D 4.3929 8.1578 118.8930 57.0534 40.6801 178.9046 142 I 3.5362 7.6393 120.4255 64.1595 37.0091 178.1802 143 A 3.6715 8.3156 121.7104 55.0819 18.1287 179.5854 144 A 4.0846 7.9286 119.1605 55.1064 18.4131 180.0935 145 K 3.9908 7.8954 117.3360 59.6116 32.0363 178.8683 146 Y 4.1186 8.4500 117.4213 61.3033 37.8430 178.8022 147 K 3.9299 8.6494 120.5423 59.4956 32.0204 178.0900 148 E 3.9360 7.9423 118.4640 59.4382 29.6984 178.3479 149 L 4.4343 7.6935 115.2106 55.0239 41.9331 177.6858 150 G 3.8082 8.1321 107.4377 45.8665 0.0000 173.5457 151 Y 4.5672 8.3488 115.0599 57.3955 38.6949 177.6643 152 Q 4.1257 8.3015 123.7190 57.6077 29.5201 176.1683 153 G 4.0339 8.2068 110.1945 45.6108 0.0000 172.8785 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 V 8.05 4.08 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.24 3.96 0.00 0.63 0.61 0.58 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.60 4.52 0.00 4.04 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 4 E 8.82 4.26 0.00 2.06 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 0.00 2.50 2.39 0.00 5 G 8.16 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 6 E 8.22 3.93 0.00 2.03 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 2.22 2.27 0.00 7 W 8.23 4.47 0.00 3.50 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.70 4.08 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 9 L 7.97 4.11 0.00 1.97 1.76 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.07 3.78 2.49 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 1.22 0.00 0.00 0.91 0.00 0.00 11 L 8.53 4.40 0.00 1.85 1.81 0.92 1.19 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 12 H 8.34 4.20 0.00 3.34 3.57 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.78 3.71 2.44 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 0.99 0.00 0.00 0.82 0.00 0.00 14 W 8.63 3.81 0.00 3.76 3.28 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 15 A 8.23 4.03 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 16 K 7.72 3.82 0.00 1.43 1.49 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.43 7.81 17 V 7.05 3.09 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 0.00 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 18 E 7.06 3.97 0.00 1.99 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 2.21 2.07 0.00 19 A 7.30 4.25 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.84 4.65 0.00 2.65 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 21 V 7.80 3.47 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 8.02 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.61 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.22 4.10 0.00 3.27 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.30 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.20 3.88 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 27 D 7.98 4.29 0.00 2.61 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 28 I 8.00 3.71 2.01 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 1.51 0.60 0.88 0.00 0.00 29 L 7.86 3.45 0.00 1.27 0.73 0.76 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.79 3.59 1.84 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 1.37 0.67 0.87 0.00 0.00 31 R 7.90 3.81 0.00 1.86 2.04 0.00 3.06 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 L 7.88 3.94 0.00 1.76 1.47 1.07 1.09 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 33 F 8.02 4.59 0.00 3.12 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 34 K 8.33 4.14 0.00 1.67 1.84 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.64 7.81 35 S 8.21 4.35 0.00 3.76 3.58 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 36 H 8.19 4.60 0.00 3.01 2.67 0.00 5.62 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 37 P 0.00 4.55 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.27 4.08 0.00 2.27 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 0.00 1.92 2.30 0.00 39 T 8.16 4.05 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 40 L 8.00 3.70 0.00 1.30 1.74 -0.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.73 4.04 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 42 K 8.07 4.46 0.00 1.99 1.72 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.94 7.81 43 F 8.29 4.67 0.00 3.19 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 44 D 8.61 4.35 0.00 2.67 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 45 R 7.97 3.72 0.00 1.42 0.76 0.00 2.94 0.00 0.00 2.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.35 0.00 46 F 8.27 5.04 0.00 2.87 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 47 K 7.62 4.10 0.00 1.73 2.22 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.40 7.81 48 H 8.11 4.35 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.71 4.35 0.00 1.60 1.58 0.88 0.84 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 50 K 9.52 4.52 0.00 1.65 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.48 7.81 51 T 7.43 4.74 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 1.21 0.00 0.00 52 E 8.68 3.91 0.00 2.04 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 2.35 2.35 0.00 53 A 7.97 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.15 3.91 0.00 2.10 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 2.35 0.00 55 M 8.15 4.15 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 56 K 8.41 3.99 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.54 7.81 57 A 7.55 4.49 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 58 S 7.59 4.35 0.00 3.95 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 59 E 8.89 3.98 0.00 2.14 1.96 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 2.40 2.45 0.00 60 D 8.25 4.44 0.00 2.91 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 61 L 8.16 3.59 0.00 1.42 1.63 -0.20 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.00 3.85 0.00 1.87 1.98 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.33 3.93 0.00 2.11 1.94 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.60 7.81 64 H 8.69 4.44 0.00 3.74 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.32 3.64 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 0.00 0.00 0.00 66 V 7.75 3.64 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 8.03 3.89 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 1.27 0.00 0.00 68 V 7.94 3.62 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 1.17 0.00 0.00 1.00 0.00 0.00 69 L 8.17 4.23 0.00 1.82 1.95 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.42 3.99 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 1.26 0.00 0.00 71 A 8.00 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.29 3.81 0.00 1.59 1.58 0.22 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.48 3.26 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 0.00 74 A 7.79 4.01 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 75 I 7.49 3.86 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.57 0.99 0.00 0.00 76 L 7.82 3.98 0.00 1.18 1.56 -0.16 1.29 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 77 K 7.82 4.01 0.00 1.71 1.80 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.50 7.81 78 K 7.77 4.07 0.00 1.83 1.80 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.78 7.81 79 K 8.35 2.00 0.00 1.25 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.35 0.90 7.81 80 G 7.93 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 81 H 7.59 4.60 0.00 3.10 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.26 5.40 0.00 3.29 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.51 3.92 0.00 2.12 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 0.00 2.39 2.45 0.00 84 A 7.95 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.09 4.10 0.00 2.26 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 2.41 2.47 0.00 86 L 8.27 4.14 0.00 1.70 1.64 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.94 3.93 0.00 1.99 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 P 0.00 4.26 0.00 2.32 2.30 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.54 3.98 0.00 1.87 1.86 0.96 1.08 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 90 A 8.73 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.36 3.80 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 92 S 8.20 4.00 0.00 3.87 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 93 H 8.53 4.19 0.00 3.50 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.96 2.96 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.08 3.78 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 96 K 7.43 4.18 0.00 1.55 1.69 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.34 7.81 97 H 8.20 4.33 0.00 2.97 3.13 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.64 3.81 0.00 1.89 1.90 0.00 1.85 0.00 0.00 2.41 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.35 7.81 99 I 7.79 4.25 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 1.31 0.92 1.08 0.00 0.00 100 P 0.00 4.45 0.00 1.67 1.77 0.00 2.37 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.81 0.00 101 I 8.51 3.40 1.71 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.71 0.00 0.00 102 K 7.83 3.77 0.00 1.75 1.70 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 0.76 7.81 103 Y 7.85 4.17 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.94 4.17 0.00 1.82 1.84 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.88 3.93 0.00 1.93 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 2.42 2.42 0.00 106 F 7.80 4.48 0.00 3.25 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 0.00 107 I 8.24 3.92 2.02 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 1.57 1.66 1.09 0.00 0.00 108 S 8.21 4.18 0.00 4.19 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 0.00 109 E 8.54 4.03 0.00 2.29 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 2.69 2.62 0.00 110 A 8.18 4.03 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 0.00 111 I 8.17 3.67 2.06 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 1.60 0.96 1.05 0.00 0.00 112 I 8.04 3.86 2.01 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 1.67 0.80 1.18 0.00 0.00 113 H 8.54 4.07 0.00 3.34 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.03 3.57 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 0.96 0.00 0.00 0.97 0.00 0.00 115 L 7.94 3.77 0.00 1.06 0.47 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.83 4.38 0.00 3.54 3.56 0.00 5.96 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 0.00 117 S 7.89 4.19 0.00 3.96 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 0.00 118 R 7.80 4.11 0.00 1.51 1.47 0.00 2.75 0.00 0.00 2.63 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 119 H 8.09 5.00 0.00 3.16 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.19 2.21 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.09 3.77 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 0.00 0.00 0.00 122 D 8.08 5.02 0.00 2.76 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 0.00 123 F 8.10 4.99 0.00 2.97 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 0.00 124 G 7.93 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 0.00 125 A 8.41 3.98 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 0.00 126 D 8.01 4.21 0.00 2.87 2.90 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 0.00 127 A 7.77 3.99 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 0.00 128 Q 8.02 3.18 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 129 G 8.41 3.47 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 0.00 130 A 7.96 3.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.40 4.08 0.00 2.39 2.47 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 132 N 8.43 4.28 0.00 2.84 2.94 0.00 0.00 7.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.11 3.84 0.00 1.85 1.67 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.51 7.81 134 A 8.24 3.86 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 0.00 135 L 8.27 4.05 0.00 1.73 1.76 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.68 3.98 0.00 2.20 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 0.00 2.34 2.54 0.00 137 L 8.16 3.98 0.00 1.80 1.98 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.11 0.00 3.03 3.15 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 0.00 139 R 8.34 3.63 0.00 2.01 1.88 0.00 3.15 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 140 K 8.38 3.81 0.00 1.82 1.98 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.16 4.39 0.00 2.77 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 0.00 142 I 7.64 3.54 1.53 0.00 0.00 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 0.98 -0.23 0.46 0.00 0.00 143 A 8.32 3.67 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 0.00 144 A 7.93 4.08 1.37 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 0.00 145 K 7.90 3.99 0.00 2.00 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.59 7.81 146 Y 8.45 4.12 0.00 3.05 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 0.00 147 K 8.65 3.93 0.00 2.05 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.94 3.94 0.00 2.05 2.23 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 2.35 2.38 0.00 149 L 7.69 4.43 0.00 1.96 1.95 0.80 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.13 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 0.00 151 Y 8.35 4.57 0.00 2.73 2.80 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 0.00 152 Q 8.30 4.13 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 153 G 8.21 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