NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.6918 8.3493 120.2053 54.2253 42.3585 173.2516 12 F 5.0971 7.6901 114.7849 54.6570 41.3785 171.8802 13 T 4.7919 9.9948 114.3567 60.3876 71.6746 173.2706 14 L 5.5977 8.6260 124.5256 53.1122 44.3894 175.8924 15 R 4.9778 8.8180 117.9029 54.3983 33.7179 173.8971 16 N 4.5428 8.6995 116.6456 52.9327 39.0286 175.3823 17 A 4.2863 8.4682 124.8502 52.1967 19.2617 177.0529 18 R 4.5412 9.1339 118.6390 53.8877 34.1909 176.5610 19 M 3.8756 8.7007 119.2587 59.0461 31.9954 177.6688 20 D 4.6750 7.8982 114.4386 54.5325 40.1521 177.0905 21 D 4.4856 8.2840 120.9758 56.4963 40.8291 178.3128 22 I 3.4279 7.5161 120.8531 64.1988 37.0355 177.7062 23 D 4.4193 8.1962 119.2916 57.6930 40.6901 178.6892 24 Q 3.9746 7.9144 119.2332 58.8469 29.0826 177.7543 25 I 3.4652 7.9231 121.3698 64.4285 37.0284 178.3785 26 I 3.2324 7.5889 120.8210 63.9757 36.9738 178.3246 27 K 3.8768 7.8548 120.2658 59.5709 31.9542 178.8907 28 I 3.7562 7.8587 119.9257 64.3814 36.9650 177.6317 29 N 4.4903 8.4880 118.2381 57.2890 38.5591 177.0707 30 R 4.2674 8.0523 118.9557 58.1563 30.2195 178.2858 31 L 4.2088 7.8416 119.3387 56.8339 42.2018 177.1844 32 T 4.5557 7.6981 106.4392 61.4103 70.6513 174.2528 33 L 4.8029 7.7650 120.8329 52.4114 45.6115 174.5626 34 P 4.3499 0.0000 0.0000 64.3987 31.9268 176.4632 35 E 3.9900 7.8504 118.4221 55.7202 27.8151 175.3871 36 N 5.0946 7.6704 121.9882 50.1665 37.7399 173.9580 37 Y 4.0735 7.6283 118.8533 56.9779 39.1194 175.0119 38 P 4.4897 0.0000 0.0000 62.5185 32.3840 176.4830 39 Y 4.1918 8.9621 120.6156 61.4333 38.4755 178.3434 40 Y 4.5278 8.1773 117.8479 59.8727 37.9118 178.0942 41 F 4.0593 7.9060 122.7286 61.2477 39.4972 176.9923 42 F 4.0265 8.4080 116.9680 60.5743 38.6564 177.6468 43 V 3.5713 7.9045 117.8004 65.9127 31.3594 177.4952 44 E 3.8495 8.3956 119.1592 59.8627 29.3992 178.6736 45 H 4.3059 7.8360 116.1643 58.6491 28.4768 177.6052 46 L 4.0623 7.9375 121.6264 57.9019 41.9603 178.6839 47 K 4.0130 8.0489 118.8059 59.4361 32.2726 178.0636 48 E 4.0460 7.6270 116.8529 57.3352 29.9892 176.4940 49 Y 4.5722 7.6766 116.3624 57.2503 39.3926 177.9705 50 G 3.8181 8.4994 111.7261 48.7033 0.0000 176.6372 51 L 3.9909 8.3230 118.9160 56.7750 41.6646 177.6561 52 A 4.8768 8.2437 119.2145 51.7027 19.6637 175.6736 53 F 4.9945 8.1067 121.0584 57.4558 40.3735 174.6595 54 F 5.4560 9.1019 124.5455 55.8234 42.6195 175.1725 55 V 5.1761 9.0726 114.2316 59.7089 35.2985 174.3941 56 A 5.2057 8.7868 125.2946 50.7354 21.1027 176.0722 57 I 4.8918 9.2678 123.2882 59.4021 40.5248 174.8474 58 V 4.3839 8.2700 126.5180 61.0811 34.0690 175.2894 59 D 4.2301 9.1952 129.1112 56.2983 37.8829 173.4596 60 N 4.2666 8.3286 110.1409 53.7682 37.1720 174.6725 61 S 4.7695 7.6727 112.0106 56.0057 65.8708 173.3778 62 V 4.2859 8.2503 121.8545 63.0943 31.8956 176.0397 63 V 4.3634 8.5374 119.1347 61.0295 33.7002 175.1588 64 G 4.5266 7.8867 106.4136 46.0077 0.0000 171.7600 65 Y 5.5888 8.1996 117.5629 55.9420 41.6714 173.3157 66 I 4.8244 9.1134 120.3107 59.5227 41.4759 173.3728 67 M 3.6418 9.4714 130.4470 53.0508 33.5603 173.0398 68 P 5.1634 0.0000 0.0000 61.1740 34.4216 174.2898 69 R 3.6121 8.7200 119.9703 54.3052 33.9628 173.5454 70 I 4.7487 6.2229 124.4152 59.5271 39.5438 174.6957 71 E 4.9336 9.5194 125.6896 54.2323 34.2059 174.3664 72 W 5.1976 9.1730 130.4396 55.2422 33.5361 175.4214 73 G 3.2417 7.0616 113.1214 45.8553 0.0000 171.5954 74 F 4.4236 8.0429 118.7685 57.0708 39.5952 175.2701 75 S 4.2655 8.7613 119.8752 58.6421 62.6284 173.9013 76 N 4.6086 9.2133 123.1985 53.6300 38.9899 175.5828 77 I 4.2635 7.5568 118.1670 62.5505 39.1282 176.8055 78 K 4.0997 7.7852 117.8624 56.5231 32.4644 177.0919 79 Q 4.0627 8.5714 122.3720 59.0496 29.0372 176.9011 80 L 4.2259 7.5493 116.9897 53.2976 42.5051 175.3424 81 P 4.2659 0.0000 0.0000 63.4242 31.9086 175.9565 82 S 4.5822 8.6692 116.8047 57.1729 65.7775 172.4853 83 L 4.3924 8.4362 127.6049 54.0690 42.5383 176.4898 84 V 4.5761 8.4151 115.8847 59.7314 37.0872 173.8729 85 R 5.0713 8.6591 123.1515 55.6619 31.4674 175.1492 86 K 5.1321 9.4945 125.7426 55.0929 36.1803 175.5912 87 G 4.2363 9.1879 110.6505 45.7521 0.0000 172.1102 88 H 4.8044 9.0672 122.5461 53.7594 32.9820 172.5467 89 V 3.8777 8.2250 127.1076 62.8556 30.9448 175.7529 90 V 3.6845 8.4298 129.8127 65.4339 32.2886 176.4525 91 S 4.7271 7.5381 112.5964 57.3002 65.7902 173.3732 92 I 4.6491 8.1982 125.9121 59.5013 41.0021 173.6081 93 A 4.6349 7.8284 128.9571 50.6807 23.0153 175.0323 94 V 4.8081 8.0559 119.3776 60.6084 34.7609 175.4872 95 L 4.1524 9.1116 128.0421 54.7805 42.6802 177.5075 96 E 3.8930 9.1880 124.2789 59.6376 29.4861 179.2718 97 E 3.8159 8.1242 115.6128 58.7466 29.4981 177.2956 98 Y 4.6150 7.7510 114.2431 57.5597 37.0491 176.0868 99 R 4.1370 7.7539 119.8724 56.6229 30.7392 176.3694 100 R 3.9370 8.3879 115.3404 57.5999 27.5389 177.2670 101 K 4.4069 7.6603 112.8960 56.0787 33.0095 177.3971 102 G 4.0113 8.1675 107.5311 46.2659 0.0000 175.7954 103 I 2.9216 7.6023 121.3545 63.9368 37.1081 178.0190 104 A 3.9408 7.8018 121.0497 55.3569 18.1110 179.5105 105 T 3.8293 7.8599 113.6686 67.2584 68.6379 176.7166 106 T 3.9051 7.9672 117.4391 66.5460 68.4039 176.7673 107 L 3.9259 8.2763 121.2093 57.7492 41.6178 179.4335 108 L 4.0259 8.3130 119.2366 57.9929 41.6337 179.5178 109 E 3.9599 8.4750 118.3321 59.3521 29.2774 179.3032 110 A 3.7578 7.8555 120.7229 55.0854 18.2664 179.6983 111 S 4.3746 8.3155 112.0137 61.8969 62.5366 176.2632 112 M 4.1466 8.4604 121.8391 58.1322 31.6564 178.4238 113 K 3.8856 8.1324 119.8544 59.8126 32.3445 178.7705 114 S 4.3197 8.1026 113.0540 61.5496 62.2820 175.6222 115 M 4.2813 8.6504 121.9897 58.6932 31.8899 179.0539 116 K 4.3336 8.1082 119.4052 59.2254 32.1372 179.1706 117 N 4.5009 8.4984 115.2909 55.3851 38.7620 176.6111 118 D 4.4878 8.4529 119.2915 55.1048 41.5783 176.8292 119 Y 4.7418 7.4681 112.9051 57.0272 39.1287 175.1040 120 N 4.3490 8.4201 115.2390 53.9523 36.4039 174.3096 121 A 4.3347 8.3095 121.8184 52.6635 18.8696 178.5448 122 E 4.7325 9.0866 122.6318 56.4420 31.6590 175.2436 123 E 4.9091 7.8754 115.6088 55.4314 33.3946 173.9155 124 I 5.4203 8.6424 120.4530 59.9876 41.7318 174.1829 125 Y 5.6899 8.9789 123.0788 56.2009 42.3760 173.0683 126 L 4.3767 8.6486 118.8253 55.1897 44.2354 173.4340 127 E 5.3126 8.4970 117.8272 54.6228 32.9211 176.1368 128 V 4.7283 8.5181 121.2503 59.9389 35.5459 174.5286 129 R 4.4495 8.5960 121.9697 56.5491 30.4681 178.3964 130 V 3.3690 8.1798 116.7647 63.6805 31.6054 177.4374 131 S 4.1182 7.5389 112.5408 58.8707 64.0583 174.6806 132 N 4.6079 7.6199 122.6377 52.6117 37.1836 174.6770 133 Y 4.1517 7.8466 120.2518 60.3394 38.4918 176.2408 134 P 4.2168 0.0000 0.0000 65.3935 31.4189 178.4897 135 A 3.5308 7.7445 118.9592 54.7396 18.2880 179.5202 136 I 3.6101 7.6309 118.1085 64.5259 37.2183 178.3326 137 A 3.9495 8.0153 121.3166 55.0635 18.0891 179.0650 138 L 3.7945 7.6462 118.6967 58.8520 42.0454 178.9708 139 Y 4.4190 7.7658 116.6587 61.2707 37.7676 178.4610 140 E 4.4560 8.5994 121.1386 58.7067 29.2942 179.1320 141 K 3.9978 8.0181 119.1098 59.0776 32.1855 177.6300 142 L 4.5885 7.4976 117.1895 54.4497 42.2264 176.6763 143 N 4.3987 7.9886 115.1217 53.9105 38.1209 174.1522 144 F 4.4825 8.2463 115.9156 57.6088 40.2239 174.4628 145 K 4.7328 8.8635 121.1850 54.1062 35.9729 175.7697 146 K 4.2942 8.6177 123.0806 57.2184 31.8695 176.8132 147 V 4.0777 9.0504 126.5494 64.6413 32.3965 175.7474 148 K 4.4491 7.6643 116.6208 56.2962 35.5770 173.6915 149 V 4.5689 8.4096 121.0396 61.7261 32.8028 175.1737 150 L 4.4699 8.8140 129.1951 53.2808 42.0623 176.0985 151 K 4.2991 8.6573 124.8279 56.6304 33.3228 177.9349 152 G 4.6052 9.3951 113.0422 46.4244 0.0000 174.2148 153 Y 3.9838 7.5233 123.0633 60.2640 39.1032 176.6446 154 Y 4.1844 8.0676 116.4456 56.5995 38.9768 174.8539 155 A 4.1836 8.1769 124.9814 53.9694 19.0458 176.5008 156 D 4.9676 8.2726 120.7574 54.2349 39.3915 175.2343 157 G 3.7823 7.8253 104.5910 44.7835 0.0000 173.0655 158 E 4.3739 8.3157 122.9684 56.0468 30.9043 175.9869 159 D 5.1156 8.9450 126.0324 54.6775 42.4105 174.9692 160 A 5.2400 8.7672 122.4442 50.4194 22.6365 174.9404 161 Y 4.9301 8.5283 118.4193 56.9635 39.9379 174.7372 162 L 4.5901 9.1598 127.6138 54.9848 43.4283 175.2173 163 M 5.4305 9.0483 125.9381 53.6543 35.3185 174.8566 164 A 5.4778 9.2079 123.3288 50.4978 23.7812 174.7885 165 R 4.6693 8.8279 119.8150 53.4128 33.4079 173.7654 166 P 4.3683 0.0000 0.0000 63.0700 31.4158 176.0261 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 11 D 8.35 4.69 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.69 5.10 0.00 3.17 2.97 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 13 T 9.99 4.79 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 14 L 8.63 5.60 0.00 1.62 1.71 1.18 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.82 4.98 0.00 1.92 2.06 0.00 2.79 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 16 N 8.70 4.54 0.00 2.48 2.59 0.00 0.00 6.87 7.35 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 17 A 8.47 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 9.13 4.54 0.00 1.72 1.73 0.00 3.13 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 19 M 8.70 3.88 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.66 0.00 20 D 7.90 4.68 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 21 D 8.28 4.49 0.00 2.69 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 22 I 7.52 3.43 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 -0.15 0.00 0.00 23 D 8.20 4.42 0.00 2.69 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 24 Q 7.91 3.97 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 25 I 7.92 3.47 1.57 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 -0.01 0.00 0.00 26 I 7.59 3.23 1.79 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 -0.35 0.87 0.00 0.00 27 K 7.85 3.88 0.00 1.84 1.97 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 28 I 7.86 3.76 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 1.15 0.00 0.00 29 N 8.49 4.49 0.00 3.01 3.06 0.00 0.00 7.31 7.79 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 30 R 8.05 4.27 0.00 1.90 1.99 0.00 3.18 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 31 L 7.84 4.21 0.00 1.79 1.88 0.94 0.77 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 32 T 7.70 4.56 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 1.30 0.00 0.00 33 L 7.76 4.80 0.00 1.83 1.56 1.04 1.06 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 34 P 0.00 4.35 0.00 2.12 2.12 0.00 3.70 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 1.89 1.89 0.00 35 E 7.85 3.99 0.00 1.75 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 2.28 2.27 0.00 36 N 7.67 5.09 0.00 2.69 2.76 0.00 0.00 7.62 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.63 4.07 0.00 2.88 2.36 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 38 P 0.00 4.49 0.00 1.20 1.98 0.00 3.59 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 1.41 1.55 0.00 39 Y 8.96 4.19 0.00 3.12 3.05 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 40 Y 8.18 4.53 0.00 3.40 3.36 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 41 F 7.91 4.06 0.00 2.95 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 42 F 8.41 4.03 0.00 3.00 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 43 V 7.90 3.57 2.40 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 1.17 0.00 0.00 1.30 0.00 0.00 44 E 8.40 3.85 0.00 2.11 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 2.16 2.15 0.00 45 H 7.84 4.31 0.00 3.33 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.94 4.06 0.00 1.42 1.78 0.48 0.46 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 47 K 8.05 4.01 0.00 1.85 1.87 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 48 E 7.63 4.05 0.00 1.16 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 2.11 2.25 0.00 49 Y 7.68 4.57 0.00 2.87 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 0.00 0.00 0.00 0.00 50 G 8.50 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 51 L 8.32 3.99 0.00 1.88 1.96 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.24 4.88 1.58 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 0.00 0.00 53 F 8.11 4.99 0.00 3.16 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.10 5.46 0.00 3.14 3.05 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 55 V 9.07 5.18 2.19 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 1.03 0.00 0.00 1.00 0.00 0.00 56 A 8.79 5.21 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 57 I 9.27 4.89 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.05 0.97 0.00 0.00 58 V 8.27 4.38 1.70 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 1.05 0.00 0.00 0.78 0.00 0.00 59 D 9.20 4.23 0.00 2.88 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 60 N 8.33 4.27 0.00 2.84 2.89 0.00 0.00 6.98 7.57 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 61 S 7.67 4.77 0.00 3.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.25 4.29 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 0.93 0.00 0.00 0.94 0.00 0.00 63 V 8.54 4.36 1.68 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 0.09 0.00 0.00 0.66 0.00 0.00 64 G 7.89 4.53 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 0.00 0.00 0.00 65 Y 8.20 5.59 0.00 3.49 3.19 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 66 I 9.11 4.82 1.88 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 1.09 1.39 1.22 0.00 0.00 67 M 9.47 3.64 0.00 1.87 1.59 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 68 P 0.00 5.16 0.00 1.98 1.96 0.00 3.22 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.10 0.00 69 R 8.72 3.61 0.00 1.47 1.40 0.00 3.24 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.00 0.00 70 I 6.22 4.75 1.69 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 0.77 0.46 1.00 0.00 0.00 71 E 9.52 4.93 0.00 1.91 1.86 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 2.23 2.16 0.00 72 W 9.17 5.20 0.00 3.22 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 73 G 7.06 3.24 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 0.00 74 F 8.04 4.42 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.76 4.27 0.00 3.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 9.21 4.61 0.00 2.47 2.67 0.00 0.00 6.81 7.45 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 77 I 7.56 4.26 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.88 0.00 0.00 78 K 7.79 4.10 0.00 1.83 1.74 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 79 Q 8.57 4.06 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 80 L 7.55 4.23 0.00 1.64 1.59 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.27 0.00 2.05 1.75 0.00 3.65 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 82 S 8.67 4.58 0.00 3.96 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 83 L 8.44 4.39 0.00 1.38 0.84 0.68 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.42 4.58 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 0.78 0.00 0.00 0.88 0.00 0.00 85 R 8.66 5.07 0.00 2.08 2.05 0.00 3.23 0.00 0.00 3.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 86 K 9.49 5.13 0.00 1.92 1.86 0.00 1.14 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.51 7.81 87 G 9.19 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 0.00 0.00 0.00 0.00 88 H 9.07 4.80 0.00 2.78 2.91 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.23 3.88 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 0.61 0.00 0.00 0.83 0.00 0.00 90 V 8.43 3.68 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 0.60 0.00 0.00 0.58 0.00 0.00 91 S 7.54 4.73 0.00 4.10 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 92 I 8.20 4.65 1.78 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 1.13 0.99 0.94 0.00 0.00 93 A 7.83 4.63 1.15 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 94 V 8.06 4.81 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 0.85 0.00 0.00 0.83 0.00 0.00 95 L 9.11 4.15 0.00 2.03 1.77 1.05 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 96 E 9.19 3.89 0.00 1.96 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 2.38 2.31 0.00 97 E 8.12 3.82 0.00 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 98 Y 7.75 4.61 0.00 2.94 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 99 R 7.75 4.14 0.00 2.03 1.82 0.00 3.43 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 100 R 8.39 3.94 0.00 1.94 2.00 0.00 3.31 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 101 K 7.66 4.41 0.00 1.82 1.99 0.00 1.84 0.00 0.00 1.99 0.00 0.00 3.30 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.46 1.56 7.81 102 G 8.17 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 0.00 103 I 7.60 2.92 1.58 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.04 0.57 0.00 0.00 104 A 7.80 3.94 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 0.00 105 T 7.86 3.83 4.43 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 1.25 0.00 0.00 106 T 7.97 3.91 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 1.35 0.00 0.00 107 L 8.28 3.93 0.00 1.82 1.75 0.91 0.64 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 0.00 108 L 8.31 4.03 0.00 1.97 1.83 1.11 0.97 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 0.00 109 E 8.47 3.96 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 110 A 7.86 3.76 0.46 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 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.32 4.37 0.00 4.14 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 0.00 112 M 8.46 4.15 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.66 0.00 113 K 8.13 3.89 0.00 1.96 2.02 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 114 S 8.10 4.32 0.00 4.18 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 0.00 115 M 8.65 4.28 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.64 0.00 116 K 8.11 4.33 0.00 1.99 1.88 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.49 7.81 117 N 8.50 4.50 0.00 2.81 2.88 0.00 0.00 7.09 7.77 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 0.00 118 D 8.45 4.49 0.00 2.21 1.91 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 0.00 119 Y 7.47 4.74 0.00 3.19 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 0.00 120 N 8.42 4.35 0.00 3.00 2.98 0.00 0.00 6.86 6.87 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 0.00 121 A 8.31 4.33 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 0.00 122 E 9.09 4.73 0.00 1.96 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 0.00 2.23 2.23 0.00 123 E 7.88 4.91 0.00 2.15 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 2.27 2.37 0.00 124 I 8.64 5.42 1.80 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 1.33 0.85 1.11 0.00 0.00 125 Y 8.98 5.69 0.00 3.19 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 0.00 126 L 8.65 4.38 0.00 1.40 1.37 0.37 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.50 5.31 0.00 1.61 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 1.52 2.11 0.00 128 V 8.52 4.73 2.33 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 1.09 0.00 0.00 1.02 0.00 0.00 129 R 8.60 4.45 0.00 1.57 1.85 0.00 2.79 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.67 0.00 130 V 8.18 3.37 1.71 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 -0.38 0.00 0.00 0.77 0.00 0.00 131 S 7.54 4.12 0.00 3.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.62 4.61 0.00 2.64 2.76 0.00 0.00 7.07 7.12 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 0.00 133 Y 7.85 4.15 0.00 3.02 2.97 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 0.00 134 P 0.00 4.22 0.00 2.09 2.06 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 135 A 7.74 3.53 1.09 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 0.00 136 I 7.63 3.61 1.85 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 1.56 0.75 0.88 0.00 0.00 137 A 8.02 3.95 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 0.00 138 L 7.65 3.79 0.00 1.60 1.55 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.77 4.42 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.46 0.00 2.11 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 2.52 2.32 0.00 141 K 8.02 4.00 0.00 1.95 2.09 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 142 L 7.50 4.59 0.00 1.96 1.84 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 143 N 7.99 4.40 0.00 2.85 2.85 0.00 0.00 7.08 7.12 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 0.00 144 F 8.25 4.48 0.00 3.17 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 0.00 145 K 8.86 4.73 0.00 1.65 1.65 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.51 7.81 146 K 8.62 4.29 0.00 1.50 1.62 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.92 1.20 7.81 147 V 9.05 4.08 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 0.74 0.00 0.00 0.98 0.00 0.00 148 K 7.66 4.45 0.00 1.82 1.85 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.37 7.81 149 V 8.41 4.57 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 0.73 0.00 0.00 1.05 0.00 0.00 150 L 8.81 4.47 0.00 1.49 1.64 0.57 0.72 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 0.00 151 K 8.66 4.30 0.00 1.68 1.73 0.00 1.83 0.00 0.00 1.95 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.39 7.81 152 G 9.40 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 3.98 0.00 3.05 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.07 4.18 0.00 3.22 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 0.00 155 A 8.18 4.18 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 0.00 156 D 8.27 4.97 0.00 2.79 3.05 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 0.00 157 G 7.83 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 0.00 158 E 8.32 4.37 0.00 2.08 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 2.42 2.33 0.00 159 D 8.94 5.12 0.00 2.51 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 0.00 0.00 0.00 0.00 160 A 8.77 5.24 0.99 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 0.00 0.00 161 Y 8.53 4.93 0.00 2.94 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 0.00 162 L 9.16 4.59 0.00 1.70 1.66 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 163 M 9.05 5.43 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 164 A 9.21 5.48 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 0.00 165 R 8.83 4.67 0.00 0.67 0.86 0.00 2.71 0.00 0.00 2.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.00 166 P 0.00 4.37 0.00 2.17 1.97 0.00 3.71 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 1.91 1.90 0.00