NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.6940 8.4093 119.2054 53.6440 40.1685 173.9460 5 I 4.0252 8.1240 117.4498 60.7144 39.2969 173.2700 6 L 5.2280 9.2671 126.8823 53.9268 45.6099 176.1329 7 S 5.3068 9.0306 122.5024 56.8953 66.2759 173.7497 8 V 5.0419 8.7740 115.1544 59.0953 36.1780 174.1259 9 H 5.4521 8.4508 116.4882 54.6733 32.3934 172.0083 10 I 4.8674 8.6487 119.6668 59.4006 40.7938 174.1369 11 L 4.8205 8.7962 129.3126 53.0094 44.7978 174.8147 12 N 5.0266 8.9164 126.1832 53.4056 39.0075 175.3796 13 Q 4.2728 9.0345 126.2982 57.9450 28.5813 177.9695 14 Q 4.2575 8.9035 118.7988 57.7299 29.1162 176.8078 15 T 4.3748 8.1502 105.4378 60.4132 70.2160 174.6239 16 G 4.0291 8.2546 109.8316 46.4167 0.0000 173.2010 17 K 4.8103 7.7183 116.5239 53.2505 36.7705 174.4033 18 P 4.8361 0.0000 0.0000 62.7918 32.3785 176.3750 19 A 4.3851 8.5298 124.9664 50.8481 19.4135 176.3283 20 A 4.4697 8.5709 123.5626 52.0193 20.5214 176.0736 21 D 4.3353 8.5859 118.8055 55.3672 40.2709 173.7395 22 V 4.2923 7.8521 118.0114 61.2914 33.4953 175.1044 23 T 4.4740 8.4785 124.8188 63.6583 69.8181 173.4627 24 V 4.7680 9.1778 125.9292 61.2988 34.8528 174.4965 25 T 4.8942 8.4031 117.7705 60.0391 71.8197 173.0888 26 L 5.2188 8.7466 124.3484 53.4362 45.4453 175.0748 27 E 5.1594 9.2027 124.2627 54.5352 34.2946 174.1594 28 K 4.4732 8.9558 124.0808 54.4397 34.5189 175.2748 29 K 3.4278 8.1014 129.0634 55.9515 32.4897 176.2969 30 A 4.5018 7.7626 130.3407 49.9668 21.4859 176.0819 31 D 4.4224 8.6235 118.5780 57.0362 40.8056 177.5731 32 N 4.8035 7.6300 114.5337 51.9977 42.0075 175.6587 33 G 3.7968 8.4991 111.8501 45.7021 0.0000 172.0744 34 W 5.2810 8.6817 120.2577 54.6537 33.1594 173.9384 35 L 4.8149 8.7659 122.1099 53.2545 44.4599 175.1244 36 Q 4.4792 8.7491 127.5811 56.1689 29.1664 175.1407 37 L 4.3369 8.5963 126.6030 56.6817 43.1052 176.1898 38 N 4.6398 7.4066 114.0996 53.0535 42.3120 173.1517 39 T 5.0928 8.2789 116.1713 60.6586 70.9786 172.3222 40 A 4.6538 8.8719 128.1739 51.1685 23.4788 174.5643 41 K 5.1367 8.2984 117.0813 54.4883 35.3564 177.0825 42 T 4.1958 8.6916 115.1076 62.1168 70.0415 174.7357 43 D 4.5294 8.8311 124.8103 52.5101 41.3176 176.6328 44 K 4.1115 8.5780 116.9274 59.6270 32.7662 177.0465 45 D 4.6602 8.3190 118.3874 53.6800 41.0466 176.4367 46 G 4.0266 8.2087 106.9105 46.4810 0.0000 173.7254 47 R 5.0463 8.4138 118.1536 53.9935 32.6936 175.6540 48 I 4.6315 8.4405 122.0630 59.3808 38.4466 176.7372 49 K 4.0517 8.6742 125.8458 58.5786 32.2569 177.7756 50 A 4.7719 7.4652 120.2878 50.2869 18.9240 174.4707 51 L 4.2666 8.9358 123.2255 55.7606 43.1367 177.3794 52 W 3.9189 8.3163 128.4214 56.2425 31.2294 174.1084 53 P 4.5456 0.0000 0.0000 62.5200 32.4933 176.3571 54 E 4.4967 8.3639 117.0320 54.8810 27.8673 176.1091 55 Q 4.7047 7.6081 116.8307 54.3086 33.5496 175.4552 56 T 3.9425 8.5701 118.4087 63.7841 69.1438 173.9549 57 A 4.6832 8.1721 127.8630 51.6265 19.7807 176.7675 58 T 4.7846 7.8808 108.8641 59.2756 71.6119 174.3871 59 T 4.1034 8.4946 112.8390 61.7580 69.4141 174.8770 60 G 3.9332 7.8406 110.2628 44.7305 0.0000 171.0214 61 D 5.2262 7.8141 119.3205 53.6550 42.7835 175.6348 62 Y 5.2121 8.8678 119.0675 56.4444 43.3084 174.2238 63 R 4.9271 8.9867 119.9932 55.2693 33.5571 174.0244 64 V 4.6349 8.8443 119.8623 59.8434 34.4568 175.2767 65 V 4.6344 8.0565 123.3378 61.1684 34.4272 174.2169 66 F 4.6966 9.0901 128.1073 56.2099 39.8332 176.8493 67 K 4.6261 8.8186 127.6313 55.7108 28.8691 177.6298 68 T 3.9716 7.7847 112.3729 63.5515 69.7642 177.3889 69 G 3.8317 8.0607 110.2301 47.4431 0.0000 175.1810 70 D 4.4358 8.1852 121.0548 57.2015 40.4059 178.1414 71 Y 4.0502 7.5064 119.5468 60.9163 38.7616 178.2938 72 F 3.9393 8.2729 118.6274 60.2766 38.9899 177.6349 73 K 3.9716 8.2793 119.4728 59.4180 31.7619 179.0412 74 K 4.0840 7.9665 117.8354 58.7520 31.9772 178.2672 75 Q 4.2545 7.1372 115.9650 54.7236 29.0897 175.1169 76 N 4.2481 8.0775 116.3768 54.5442 36.7838 174.0712 77 L 4.8146 8.0223 116.2182 52.8964 44.7286 176.8165 78 E 4.3816 8.4939 121.7362 55.8405 30.6555 175.8585 79 S 3.8956 7.8425 114.2898 55.9474 65.7318 173.8100 80 F 4.3595 7.5066 127.8210 60.3200 39.1972 175.5191 81 F 4.8809 7.1104 119.0266 54.6894 40.3161 174.1742 82 P 4.4111 0.0000 0.0000 65.6890 31.4452 175.3856 83 E 4.6255 7.5318 113.8502 55.6404 32.5117 175.3695 84 I 4.3575 8.5770 120.3993 58.6906 39.8058 173.0655 85 P 4.8635 0.0000 0.0000 62.1980 32.8161 175.9330 86 V 4.4787 9.1008 122.5776 61.3443 34.3371 173.7914 87 E 5.3208 9.0508 128.0204 55.2842 30.9845 175.4770 88 F 5.1960 9.0156 118.3633 55.6858 42.4436 172.4965 89 H 5.4038 9.1129 118.6788 54.5408 31.8761 172.8291 90 I 4.0180 8.8626 127.6766 60.3574 37.9594 175.5637 91 N 4.4305 9.0814 123.9297 54.0769 39.0623 175.2090 92 K 4.4497 7.6735 119.5711 54.4449 32.9290 178.3037 93 V 3.7336 8.4503 117.6903 63.5800 31.8439 176.7093 94 N 4.7396 8.0726 115.2341 52.8013 38.6161 174.2133 95 E 4.3441 7.4108 118.3765 55.0312 30.9799 174.8137 96 H 4.6193 8.2789 122.9788 55.8760 30.8446 173.7846 97 Y 4.4994 8.9138 123.4496 56.2871 41.1397 174.1734 98 H 4.9499 8.6018 122.5155 54.5756 33.0498 171.9345 99 V 4.4585 8.7256 127.0937 60.5491 32.0832 172.8614 100 P 4.4059 0.0000 0.0000 61.4933 33.3000 174.6741 101 L 4.7152 8.5011 123.8774 53.2405 45.1220 175.0846 102 L 4.9638 8.8810 127.1776 53.3722 43.3564 175.1264 103 L 5.2069 8.9276 127.0672 53.4077 44.5434 175.3983 104 S 5.3261 9.2634 120.5550 56.7979 67.6294 175.2099 105 Q 3.2460 9.6655 120.4190 58.6198 28.4062 178.1142 106 Y 4.4921 7.2822 109.7377 56.8213 39.3241 175.1811 107 G 4.4052 8.3006 106.4645 45.3916 0.0000 172.2741 108 Y 5.3982 7.8443 117.9295 56.0280 40.9576 173.7991 109 S 4.8931 9.1430 115.3845 57.2986 67.2587 173.1320 110 T 5.1247 8.6362 115.7416 60.5278 70.8800 171.4521 111 Y 4.7396 7.5781 121.6095 56.3041 40.9591 173.5135 112 R 4.3346 8.8262 120.5654 55.5257 30.3122 176.2049 113 G 4.0586 8.6315 115.3372 45.2810 0.0000 173.0854 114 S 4.4438 8.4170 114.7815 58.7918 62.9858 174.6080 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 4 N 8.41 4.69 0.00 2.74 2.83 0.00 0.00 7.01 7.06 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 5 I 8.12 4.03 1.91 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.57 0.69 0.00 0.00 6 L 9.27 5.23 0.00 2.02 1.82 0.87 0.95 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 7 S 9.03 5.31 0.00 3.48 3.55 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 0.00 8 V 8.77 5.04 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 0.84 0.00 0.00 0.91 0.00 0.00 9 H 8.45 5.45 0.00 3.25 3.37 0.00 5.40 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 10 I 8.65 4.87 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.66 0.60 0.00 0.00 11 L 8.80 4.82 0.00 1.77 1.53 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.92 5.03 0.00 2.88 2.95 0.00 0.00 6.77 6.52 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 13 Q 9.03 4.27 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 14 Q 8.90 4.26 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 15 T 8.15 4.37 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 1.29 0.00 0.00 16 G 8.25 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 17 K 7.72 4.81 0.00 1.71 1.67 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.62 7.81 18 P 0.00 4.84 0.00 1.93 2.10 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 19 A 8.53 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.57 4.47 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 21 D 8.59 4.34 0.00 2.79 2.79 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 22 V 7.85 4.29 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 0.92 0.00 0.00 0.56 0.00 0.00 23 T 8.48 4.47 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 1.17 0.00 0.00 24 V 9.18 4.77 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 0.47 0.00 0.00 0.85 0.00 0.00 25 T 8.40 4.89 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 1.12 0.00 0.00 26 L 8.75 5.22 0.00 1.58 1.30 0.97 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.20 5.16 0.00 1.78 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 2.19 2.12 0.00 28 K 8.96 4.47 0.00 1.85 1.61 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.08 0.83 7.81 29 K 8.10 3.43 0.00 0.79 1.18 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.87 0.80 7.81 30 A 7.76 4.50 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 31 D 8.62 4.42 0.00 2.60 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 32 N 7.63 4.80 0.00 2.59 2.65 0.00 0.00 6.86 7.65 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 33 G 8.50 3.80 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 0.00 0.00 0.00 34 W 8.68 5.28 0.00 3.22 3.06 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 35 L 8.77 4.81 0.00 1.70 1.46 0.91 0.80 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 36 Q 8.75 4.48 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 37 L 8.60 4.34 0.00 1.23 1.32 0.47 1.05 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 38 N 7.41 4.64 0.00 2.60 2.44 0.00 0.00 6.59 7.22 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 39 T 8.28 5.09 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 1.16 0.00 0.00 40 A 8.87 4.65 1.17 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 41 K 8.30 5.14 0.00 1.59 1.67 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.37 7.81 42 T 8.69 4.20 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 1.25 0.00 0.00 43 D 8.83 4.53 0.00 2.91 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 44 K 8.58 4.11 0.00 1.89 1.99 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 45 D 8.32 4.66 0.00 2.78 2.70 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 46 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 47 R 8.41 5.05 0.00 2.18 1.82 0.00 3.06 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 48 I 8.44 4.63 1.85 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 1.42 1.04 0.89 0.00 0.00 49 K 8.67 4.05 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.44 7.81 50 A 7.47 4.77 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 51 L 8.94 4.27 0.00 1.57 1.74 0.84 1.10 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 52 W 8.32 3.92 0.00 3.53 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 53 P 0.00 4.55 0.00 2.16 2.09 0.00 2.37 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 54 E 8.36 4.50 0.00 2.01 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 2.32 2.29 0.00 55 Q 7.61 4.70 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 56 T 8.57 3.94 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 1.22 0.00 0.00 57 A 8.17 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.88 4.78 4.31 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 1.29 0.00 0.00 59 T 8.49 4.10 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 1.27 0.00 0.00 60 G 7.84 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 61 D 7.81 5.23 0.00 2.35 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 62 Y 8.87 5.21 0.00 1.75 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 63 R 8.99 4.93 0.00 1.04 1.09 0.00 2.59 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.31 0.00 64 V 8.84 4.63 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.87 0.00 0.00 65 V 8.06 4.63 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 0.93 0.00 0.00 0.72 0.00 0.00 66 F 9.09 4.70 0.00 2.75 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 67 K 8.82 4.63 0.00 1.80 1.93 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.55 7.81 68 T 7.78 3.97 4.36 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 1.12 0.00 0.00 69 G 8.06 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 70 D 8.19 4.44 0.00 2.91 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 71 Y 7.51 4.05 0.00 2.88 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 72 F 8.27 3.94 0.00 3.18 3.13 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 73 K 8.28 3.97 0.00 1.96 2.05 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 74 K 7.97 4.08 0.00 1.87 1.80 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 75 Q 7.14 4.25 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 76 N 8.08 4.25 0.00 2.85 2.90 0.00 0.00 6.70 7.17 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 77 L 8.02 4.81 0.00 1.86 1.48 1.11 1.12 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 78 E 8.49 4.38 0.00 2.02 1.90 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 2.31 2.31 0.00 79 S 7.84 3.90 0.00 3.37 3.61 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 80 F 7.51 4.36 0.00 2.35 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.11 4.88 0.00 3.04 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.41 0.00 2.23 2.31 0.00 3.78 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 2.09 1.94 0.00 83 E 7.53 4.63 0.00 2.05 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 2.16 2.29 0.00 84 I 8.58 4.36 1.54 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.41 -0.08 0.00 0.00 85 P 0.00 4.86 0.00 1.99 1.93 0.00 3.67 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 1.98 1.92 0.00 86 V 9.10 4.48 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 1.15 0.00 0.00 1.13 0.00 0.00 87 E 9.05 5.32 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 88 F 9.02 5.20 0.00 3.23 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 89 H 9.11 5.40 0.00 3.17 3.35 0.00 5.91 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 90 I 8.86 4.02 1.80 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.18 0.65 0.00 0.00 91 N 9.08 4.43 0.00 2.86 2.90 0.00 0.00 6.25 7.13 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 92 K 7.67 4.45 0.00 2.04 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.43 7.81 93 V 8.45 3.73 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 0.73 0.00 0.00 0.92 0.00 0.00 94 N 8.07 4.74 0.00 2.68 2.79 0.00 0.00 6.81 7.66 0.00 0.00 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 E 7.41 4.34 0.00 2.09 1.48 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 0.00 1.96 2.10 0.00 96 H 8.28 4.62 0.00 3.09 3.07 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.91 4.50 0.00 2.90 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 98 H 8.60 4.95 0.00 3.09 2.91 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.73 4.46 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 0.95 0.00 0.00 0.41 0.00 0.00 100 P 0.00 4.41 0.00 1.35 1.31 0.00 2.89 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.71 0.00 101 L 8.50 4.72 0.00 0.49 0.69 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.88 4.96 0.00 1.70 1.66 1.03 0.68 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 0.00 103 L 8.93 5.21 0.00 1.61 1.47 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 S 9.26 5.33 0.00 4.08 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 0.00 105 Q 9.67 3.25 0.00 1.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 106 Y 7.28 4.49 0.00 2.90 2.70 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 0.00 107 G 8.30 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 0.00 108 Y 7.84 5.40 0.00 2.94 2.81 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 0.00 109 S 9.14 4.89 0.00 3.87 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 0.00 110 T 8.64 5.12 4.27 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 1.32 0.00 0.00 111 Y 7.58 4.74 0.00 2.96 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 0.00 112 R 8.83 4.33 0.00 1.93 1.99 0.00 3.31 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 113 G 8.63 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 0.00 114 S 8.42 4.44 0.00 3.89 3.80 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