NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1429 8.0549 114.0569 60.9484 33.0386 175.0004 2 L 3.9744 8.2109 123.2739 52.4370 42.2496 176.2231 3 S 4.5191 9.2510 118.7197 57.7545 66.2471 174.9070 4 E 4.2407 8.7833 121.9284 59.4428 29.4726 178.8356 5 G 3.6687 8.0915 105.4132 47.7132 0.0000 175.4729 6 E 3.9604 8.1543 120.9377 59.0544 29.3944 179.4131 7 W 4.2788 8.3587 119.2468 59.6993 28.9902 178.3905 8 Q 4.0806 8.3990 119.7817 59.1753 28.6158 178.1593 9 L 4.0614 7.9254 119.6848 57.6957 41.5800 179.8028 10 V 3.7400 7.8290 117.7965 66.2406 31.6416 178.2202 11 L 4.2755 8.4413 118.6359 57.5229 41.2282 179.0228 12 H 4.2008 8.6357 119.1068 59.3200 29.9100 177.7599 13 V 3.4879 7.8902 120.4935 64.3483 31.2979 178.0932 14 W 3.8228 8.6162 129.0482 60.1016 30.2589 177.7209 15 A 4.0054 8.0225 120.1579 54.9700 18.0552 179.5125 16 K 3.8950 7.4247 116.6229 59.5637 32.1077 179.4771 17 V 2.7806 7.0997 118.4029 65.8746 30.8958 177.2366 18 E 4.0067 7.4296 114.9862 57.3736 29.4044 178.2129 19 A 4.1890 7.5717 121.2931 53.8991 19.8752 177.7709 20 D 4.6618 7.8244 116.4445 52.1062 42.5433 175.5301 21 V 3.5203 7.8420 123.3702 65.9526 32.0895 176.8076 22 A 4.0625 7.9782 120.0916 55.0500 18.3419 179.7124 23 G 3.5707 8.3925 105.6753 47.6137 0.0000 175.7929 24 H 4.1184 8.1625 118.3968 58.5589 28.7318 178.1785 25 G 3.5827 8.3585 107.9349 47.6839 0.0000 175.6027 26 Q 3.8333 8.0578 121.8519 59.0792 29.0918 178.0028 27 D 4.2580 7.9017 119.8168 57.2429 40.7589 178.8999 28 I 3.6212 7.6971 120.1922 64.4140 37.1441 178.4475 29 L 3.3955 7.6051 119.6911 57.6883 41.2557 179.7517 30 I 3.6120 7.6334 119.7570 64.1571 36.9199 178.4544 31 R 3.7711 7.9735 119.6404 59.1984 29.8469 178.2882 32 L 3.9236 7.7879 120.1191 58.3796 41.8568 179.0789 33 F 4.5835 8.1398 118.0680 60.5197 38.5559 177.8847 34 K 4.0542 8.2235 117.7677 59.3259 31.9919 179.2758 35 S 4.3257 8.1080 114.8693 60.1477 64.1690 174.3098 36 H 4.6287 8.1874 118.5853 51.9713 29.1684 171.8561 37 P 4.6467 0.0000 0.0000 64.5180 31.1960 177.4435 38 E 4.1000 8.2680 116.2730 59.4558 29.3805 179.1594 39 T 3.9079 8.3630 111.4860 64.4603 68.9614 176.4655 40 L 3.5265 7.9070 123.0102 57.7157 41.7745 178.4429 41 E 4.0741 7.8276 118.1057 58.6008 29.6151 178.5135 42 K 4.3776 8.0797 117.3736 57.5048 32.4716 177.2089 43 F 4.5728 8.1860 118.7171 55.7734 38.1161 175.9199 44 D 4.3854 8.5267 125.1969 57.1285 40.4370 178.7205 45 R 4.0032 7.8498 118.6324 58.2736 30.3162 176.7303 46 F 5.0682 7.2029 113.7467 56.9084 40.9031 177.3251 47 K 3.9175 8.2297 120.5593 59.8483 31.8901 177.3970 48 H 4.4375 8.1684 111.8306 56.8610 29.0120 175.1539 49 L 4.2031 7.6908 121.8373 54.2984 41.9852 176.5219 50 K 4.3784 9.7103 123.4894 56.7822 34.2016 176.9609 51 T 4.6608 7.5184 107.8114 59.3180 72.6956 174.6675 52 E 3.8983 8.5464 121.3280 59.3559 29.7821 178.5704 53 A 3.9924 7.9908 120.3416 55.3112 18.2126 179.2524 54 E 3.9349 8.0158 115.9903 59.7785 29.9165 179.2379 55 M 4.1679 8.1069 118.6585 58.4288 31.8447 179.0152 56 K 3.9588 8.2404 117.4781 59.2016 32.2294 178.8077 57 A 4.3055 7.6369 119.7751 52.9556 18.6426 177.4671 58 S 4.2179 7.4363 113.2140 57.9930 62.7909 174.4988 59 E 4.0035 8.8920 129.1108 59.1511 29.4837 177.9120 60 D 4.4055 8.1639 117.8395 57.2261 41.3683 177.7191 61 L 3.4117 8.0235 120.8577 58.0109 42.1245 178.8684 62 K 3.8622 7.8043 119.3781 59.3342 32.1767 178.6514 63 K 3.9891 8.3061 120.2070 59.8147 32.0927 178.3745 64 H 4.4922 8.5779 118.7691 59.0606 29.7851 177.4304 65 G 3.5613 8.3002 107.8888 47.6655 0.0000 175.7890 66 V 3.6229 7.7370 120.2839 66.0751 31.5425 178.1351 67 T 3.8964 7.7662 114.9706 66.7667 68.3284 176.7520 68 V 3.6191 7.9420 120.0898 66.0919 31.5401 178.1303 69 L 4.2920 8.1512 118.6212 57.8611 41.4723 179.6182 70 T 4.0278 8.2252 115.9222 66.3805 68.2592 176.7446 71 A 4.0018 8.0579 122.8298 55.1068 18.3704 179.4912 72 L 3.7444 8.1376 119.0750 58.0192 42.1163 179.3404 73 G 3.2177 8.4879 105.9355 47.6719 0.0000 175.5543 74 A 4.0347 7.8526 122.0486 54.5954 18.6037 179.7125 75 I 3.8083 7.2785 118.4338 64.5356 37.2413 178.3301 76 L 3.9555 7.7627 120.0246 57.9009 41.4929 179.4547 77 K 4.0265 7.7159 115.1821 57.8043 32.0757 177.6668 78 K 4.0382 7.9224 118.4072 55.6174 32.8789 176.3943 79 K 2.0000 8.3349 118.7114 56.4170 29.7059 174.8255 80 G 3.9668 7.7849 105.8348 45.8073 0.0000 173.2621 81 H 4.5081 7.5156 118.8718 55.5385 27.8535 175.0605 82 H 5.1755 7.5972 110.7174 54.4461 29.7964 176.5338 83 E 3.9952 8.3763 121.3217 60.3499 28.9389 178.6570 84 A 4.0898 7.9417 119.9338 54.3319 17.7578 178.6817 85 E 4.1926 8.1265 116.5993 58.5538 29.8368 178.2812 86 L 4.3073 8.1050 120.3087 57.1449 42.2765 178.5970 87 K 3.9116 7.9339 119.4223 59.0997 32.1938 176.9832 88 P 4.2658 0.0000 0.0000 65.4063 31.2666 178.3868 89 L 4.0126 7.4879 116.0079 58.1731 42.0290 178.9386 90 A 4.1568 8.2923 120.9670 55.1654 18.2063 179.6842 91 Q 3.8105 8.2687 116.9263 59.0876 28.7804 179.1533 92 S 3.9877 8.1494 115.3099 61.8034 63.1280 176.2455 93 H 4.2715 8.5739 119.5721 57.9943 28.1943 177.7927 94 A 2.9024 7.6162 122.4139 54.7073 18.2171 179.0716 95 T 3.8174 7.3120 105.9189 62.1864 69.6467 175.6117 96 K 4.1350 7.4653 120.8424 58.2803 33.1127 176.8257 97 H 4.3389 7.9804 113.7658 55.6283 29.6176 175.2574 98 K 3.7381 7.6587 117.4448 57.3166 28.6613 175.4088 99 I 4.2905 8.1985 118.9160 58.4739 39.0054 175.0431 100 P 4.4578 0.0000 0.0000 62.3689 32.1128 177.3123 101 I 3.4000 8.3514 120.7941 64.4928 36.9001 178.3697 102 K 3.6367 7.9066 119.8411 59.8757 31.8026 178.2390 103 Y 3.9298 7.9301 116.7755 60.7335 37.7482 178.2273 104 L 4.0834 7.8076 119.8049 57.5516 41.7940 178.7361 105 E 3.9376 7.8762 119.1541 59.3800 29.5588 178.9273 106 F 4.6260 7.6393 117.5638 60.9007 38.9994 177.6190 107 I 3.8418 8.2796 118.3090 63.9587 37.7394 177.8845 108 S 4.2193 8.3286 116.3390 61.8652 62.7229 176.5937 109 E 4.0765 8.3452 120.6808 59.2678 29.1962 179.3564 110 A 4.0204 8.0085 120.8006 55.1829 18.4065 179.5830 111 I 3.6855 8.2002 118.7857 64.8773 37.2695 178.8033 112 I 3.8542 7.9615 120.4289 64.4327 36.8678 178.0896 113 H 4.1390 8.3573 119.2864 59.3915 29.7732 177.6230 114 V 3.6040 7.9858 120.0724 65.8563 31.3399 177.9463 115 L 3.7999 8.0890 119.1829 57.8390 41.0164 179.0197 116 H 4.4328 7.8257 117.4345 59.3610 29.9256 177.1954 117 S 4.1588 7.8918 116.0997 61.2758 62.7306 176.1742 118 R 4.1877 7.6309 118.7768 56.9679 31.5206 176.4393 119 H 4.9770 8.0761 116.1833 53.4731 30.0046 172.6225 120 P 4.2296 0.0000 0.0000 66.1388 31.2194 179.2040 121 G 3.5966 8.1314 106.2391 46.9525 0.0000 173.5804 122 D 4.9141 8.1182 117.6524 54.1603 41.9036 175.9339 123 F 5.0044 8.2122 121.2785 56.8932 39.7015 174.7631 124 G 3.8634 7.7140 108.2509 43.9506 0.0000 172.1613 125 A 3.8846 8.5013 120.8716 55.3975 18.1981 179.6966 126 D 4.2054 7.9404 116.7858 56.4052 39.5320 178.5685 127 A 3.9019 7.6941 121.7493 54.8597 18.5076 179.1027 128 Q 3.2793 7.7293 118.5437 58.9981 28.9410 178.9396 129 G 3.4779 8.2870 106.9160 47.6931 0.0000 175.6570 130 A 3.8804 7.8875 123.3560 54.8912 18.2704 179.4554 131 M 4.0103 8.3795 117.1861 58.6973 32.2891 177.9831 132 N 4.3101 8.3510 117.2977 56.6851 39.1842 176.8928 133 K 3.8537 8.1546 119.6908 59.4087 32.0910 179.1828 134 A 3.8430 8.0046 120.9569 55.1852 18.3447 179.7669 135 L 4.0828 8.2198 117.7441 57.8648 41.5743 179.6183 136 E 4.0052 8.6163 119.1285 59.2224 29.4080 178.9999 137 L 3.9754 8.0729 120.4051 58.0901 42.1708 178.6542 138 F 4.1826 8.3284 120.5323 61.5989 39.2265 177.4018 139 R 3.5519 8.1351 117.4724 58.8870 29.9481 178.9555 140 K 3.8433 8.3192 119.8336 59.7184 32.0254 178.6690 141 D 4.3911 8.1771 119.0980 57.1736 40.6496 178.8643 142 I 3.5512 7.5621 120.2774 64.1958 36.9319 178.2920 143 A 3.6757 8.0812 121.7247 54.9660 18.1804 179.5763 144 A 3.9480 7.8589 118.9385 55.1134 18.3880 180.0958 145 K 4.0017 7.7972 117.1524 59.6385 32.1697 178.9886 146 Y 4.0820 8.4295 117.3121 61.1016 37.8855 178.7623 147 K 3.9463 8.4590 120.5547 59.5282 32.0880 178.1088 148 E 3.9510 7.8756 118.0411 59.4956 29.6749 178.4181 149 L 4.3709 7.8333 115.8433 55.4706 41.9014 177.7834 150 G 3.9262 7.9202 107.1213 45.6073 0.0000 173.6745 151 Y 4.3636 8.2723 114.7477 56.8388 38.6794 174.3684 152 Q 4.0259 8.1133 122.6143 58.3810 28.5974 177.0868 153 G 3.5067 8.8075 112.4340 45.2777 0.0000 170.8907 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 4.14 2.16 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 0.93 0.00 0.00 0.96 0.00 0.00 2 L 8.21 3.97 0.00 0.65 0.64 0.54 -0.59 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 3 S 9.25 4.52 0.00 4.03 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 4 E 8.78 4.24 0.00 2.19 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 2.43 2.52 0.00 5 G 8.09 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.15 3.96 0.00 2.04 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 8.36 4.28 0.00 3.57 3.21 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 8 Q 8.40 4.08 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 9 L 7.93 4.06 0.00 1.94 1.76 0.93 0.62 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 10 V 7.83 3.74 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 1.20 0.00 0.00 0.88 0.00 0.00 11 L 8.44 4.28 0.00 1.96 1.82 0.96 1.05 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 8.64 4.20 0.00 3.47 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 3.49 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 0.99 0.00 0.00 0.77 0.00 0.00 14 W 8.62 3.82 0.00 3.65 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 15 A 8.02 4.01 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 16 K 7.42 3.89 0.00 1.50 1.64 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.44 1.40 7.81 17 V 7.10 2.78 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 0.00 0.00 -0.07 0.00 0.00 0.20 0.00 0.00 18 E 7.43 4.01 0.00 2.02 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 2.19 2.12 0.00 19 A 7.57 4.19 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 20 D 7.82 4.66 0.00 2.71 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 7.84 3.52 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 1.07 0.00 0.00 0.89 0.00 0.00 22 A 7.98 4.06 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 23 G 8.39 3.57 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 24 H 8.16 4.12 0.00 3.28 3.23 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 8.36 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 0.00 0.00 0.00 26 Q 8.06 3.83 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 D 7.90 4.26 0.00 2.81 2.63 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 28 I 7.70 3.62 1.99 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 0.63 0.88 0.00 0.00 29 L 7.61 3.40 0.00 1.31 0.85 0.74 0.58 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 30 I 7.63 3.61 1.83 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 1.36 0.61 0.87 0.00 0.00 31 R 7.97 3.77 0.00 1.93 2.01 0.00 3.04 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 32 L 7.79 3.92 0.00 1.76 1.42 1.09 0.97 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 8.14 4.58 0.00 2.98 2.93 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 34 K 8.22 4.05 0.00 1.74 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.67 7.81 35 S 8.11 4.33 0.00 3.79 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 36 H 8.19 4.63 0.00 3.07 2.91 0.00 5.63 0.00 0.00 0.00 0.00 6.85 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 4.65 0.00 2.14 2.10 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.27 4.10 0.00 2.26 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 2.14 2.47 0.00 39 T 8.36 3.91 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 40 L 7.91 3.53 0.00 1.39 1.74 -0.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.83 4.07 0.00 2.02 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 2.36 2.43 0.00 42 K 8.08 4.38 0.00 2.02 1.62 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.86 7.81 43 F 8.19 4.57 0.00 3.23 2.92 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 44 D 8.53 4.39 0.00 2.72 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 45 R 7.85 4.00 0.00 1.32 0.66 0.00 3.04 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.40 0.00 46 F 7.20 5.07 0.00 2.96 2.72 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 47 K 8.23 3.92 0.00 1.95 1.94 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.30 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.59 1.46 7.81 48 H 8.17 4.44 0.00 3.29 3.43 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 7.69 4.20 0.00 1.61 1.58 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.71 4.38 0.00 1.77 1.82 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.48 7.81 51 T 7.52 4.66 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 8.55 3.90 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 7.99 3.99 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 8.02 3.93 0.00 2.13 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 2.35 2.35 0.00 55 M 8.11 4.17 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 56 K 8.24 3.96 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 A 7.64 4.31 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 58 S 7.44 4.22 0.00 3.92 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 59 E 8.89 4.00 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 8.16 4.41 0.00 2.96 2.93 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 61 L 8.02 3.41 0.00 1.41 1.63 -0.13 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.86 0.00 1.78 1.97 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.31 3.99 0.00 1.91 2.15 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 64 H 8.58 4.49 0.00 3.67 3.48 0.00 5.84 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 8.30 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 66 V 7.74 3.62 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 1.04 0.00 0.00 0.99 0.00 0.00 67 T 7.77 3.90 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 1.28 0.00 0.00 68 V 7.94 3.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 69 L 8.15 4.29 0.00 1.81 1.86 0.91 0.71 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 8.23 4.03 4.32 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 1.26 0.00 0.00 71 A 8.06 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.14 3.74 0.00 1.66 1.70 0.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.49 3.22 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 0.00 0.00 0.00 0.00 74 A 7.85 4.03 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 75 I 7.28 3.81 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 0.92 0.00 0.00 76 L 7.76 3.96 0.00 1.17 1.57 -0.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.72 4.03 0.00 1.68 1.79 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.44 7.81 78 K 7.92 4.04 0.00 1.88 1.79 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.67 7.81 79 K 8.33 2.00 0.00 1.18 0.74 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.43 0.75 7.81 80 G 7.78 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 81 H 7.52 4.51 0.00 3.19 3.35 0.00 5.81 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 82 H 7.60 5.18 0.00 3.31 3.46 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.38 4.00 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 84 A 7.94 4.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.13 4.19 0.00 2.23 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 2.37 2.42 0.00 86 L 8.10 4.31 0.00 1.88 1.68 0.81 0.47 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 87 K 7.93 3.91 0.00 2.00 1.80 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 88 P 0.00 4.27 0.00 2.23 2.11 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 89 L 7.49 4.01 0.00 1.80 1.90 0.95 1.15 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 8.29 4.16 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 91 Q 8.27 3.81 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 92 S 8.15 3.99 0.00 4.01 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 0.00 93 H 8.57 4.27 0.00 3.48 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 7.62 2.90 -0.14 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 95 T 7.31 3.82 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 96 K 7.47 4.13 0.00 1.56 1.69 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.13 1.33 7.81 97 H 7.98 4.34 0.00 2.94 3.16 0.00 5.86 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 7.66 3.74 0.00 1.86 1.83 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 1.38 7.81 99 I 8.20 4.29 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 1.49 0.94 1.07 0.00 0.00 100 P 0.00 4.46 0.00 1.86 1.97 0.00 2.95 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 0.49 1.38 0.00 101 I 8.35 3.40 1.72 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 0.71 0.00 0.00 102 K 7.91 3.64 0.00 1.74 1.70 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 0.59 7.81 103 Y 7.93 3.93 0.00 3.18 3.03 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 0.00 104 L 7.81 4.08 0.00 1.75 1.74 0.57 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.88 3.94 0.00 1.96 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 2.36 2.38 0.00 106 F 7.64 4.63 0.00 3.19 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 0.00 107 I 8.28 3.84 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 1.10 0.00 0.00 108 S 8.33 4.22 0.00 4.19 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 0.00 109 E 8.35 4.08 0.00 2.36 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 2.43 2.68 0.00 110 A 8.01 4.02 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 0.00 111 I 8.20 3.69 2.11 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 1.60 0.89 1.03 0.00 0.00 112 I 7.96 3.85 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.00 1.12 0.00 0.00 113 H 8.36 4.14 0.00 3.40 3.49 0.00 5.78 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 7.99 3.60 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 0.90 0.00 0.00 1.00 0.00 0.00 115 L 8.09 3.80 0.00 0.88 0.31 0.69 0.97 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 0.00 116 H 7.83 4.43 0.00 3.51 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.07 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 4.16 0.00 3.93 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 0.00 118 R 7.63 4.19 0.00 1.59 1.50 0.00 2.61 0.00 0.00 2.85 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 119 H 8.08 4.98 0.00 3.19 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.75 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 4.23 0.00 2.21 2.29 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 121 G 8.13 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.12 4.91 0.00 2.77 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 8.21 5.00 0.00 2.99 3.03 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 0.00 124 G 7.71 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 8.50 3.88 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 7.94 4.21 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.69 3.90 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 0.00 128 Q 7.73 3.28 0.00 1.40 1.95 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 2.26 2.30 0.00 129 G 8.29 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.89 3.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.38 4.01 0.00 2.51 2.47 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 132 N 8.35 4.31 0.00 2.97 2.92 0.00 0.00 7.23 6.30 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 0.00 133 K 8.15 3.85 0.00 1.85 1.69 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.59 7.81 134 A 8.00 3.84 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 0.00 135 L 8.22 4.08 0.00 1.86 1.82 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.62 4.01 0.00 2.14 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 2.55 0.00 137 L 8.07 3.98 0.00 1.82 1.99 0.99 0.95 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 0.00 138 F 8.33 4.18 0.00 3.10 3.27 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 0.00 139 R 8.14 3.55 0.00 2.03 1.85 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 140 K 8.32 3.84 0.00 1.85 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.18 4.39 0.00 2.72 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 0.00 142 I 7.56 3.55 1.45 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.21 0.36 0.00 0.00 143 A 8.08 3.68 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 0.00 144 A 7.86 3.95 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 0.00 145 K 7.80 4.00 0.00 2.12 1.93 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.43 4.08 0.00 3.12 3.14 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 0.00 147 K 8.46 3.95 0.00 1.95 2.02 0.00 1.66 0.00 0.00 1.59 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 7.88 3.95 0.00 2.06 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 0.00 2.36 2.39 0.00 149 L 7.83 4.37 0.00 1.82 1.93 0.82 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.92 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 0.00 151 Y 8.27 4.36 0.00 2.59 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 0.00 152 Q 8.11 4.03 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 153 G 8.81 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00