NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2492 8.2549 120.8496 56.6083 31.4585 175.7543 5 S 4.4988 8.1369 118.9257 56.9117 65.0034 172.4489 6 P 4.7701 0.0000 0.0000 61.4668 34.9168 174.9856 7 S 4.7598 8.2877 114.3714 56.3475 64.7553 173.5351 8 P 4.3644 0.0000 0.0000 65.2764 30.8404 177.0834 9 S 4.2703 7.8101 112.0866 59.1625 63.7968 174.6778 10 T 4.3896 7.7895 109.7096 62.2395 70.3747 174.1915 11 Q 4.1078 8.1247 120.9063 52.5556 29.4329 173.4642 12 P 4.5636 0.0000 0.0000 60.8809 29.2825 176.1922 13 W 4.1266 7.8990 125.9214 60.5254 29.5469 177.5085 14 E 4.0292 8.2291 117.9956 59.6319 29.0639 178.4730 15 H 3.9412 8.1151 117.6295 59.4036 29.9056 177.0936 16 V 2.9636 7.6243 119.9310 65.9379 31.2398 177.7135 17 N 4.3269 8.8786 116.7456 56.1169 38.3548 177.2463 18 A 3.9755 8.3882 122.5424 55.2843 18.5994 179.7302 19 I 3.6736 7.6296 118.2976 64.4471 36.9732 178.5153 20 Q 3.9413 8.0021 120.4245 59.2199 28.9566 177.9323 21 E 3.9418 8.6936 120.5508 58.9103 29.6065 178.6076 22 A 3.9888 8.5644 121.3090 55.3060 18.2905 179.8310 23 R 3.8876 7.6265 114.9401 59.2305 30.4046 179.1037 24 R 4.0284 7.7740 118.4619 59.5675 30.0524 178.6252 25 L 4.0205 7.9824 118.7817 57.6520 41.4323 178.9973 26 L 4.1133 8.2822 118.8478 57.0247 42.0997 177.7026 27 N 4.6468 7.7757 114.9099 55.3430 39.0722 176.7439 28 L 4.2232 8.0398 119.2948 55.9732 42.1609 177.1156 29 S 3.9648 7.0158 112.4250 58.0572 62.6179 173.9241 30 R 4.5585 8.1887 123.1860 55.0162 31.6560 173.9601 31 D 5.0117 8.6188 121.8032 51.9896 44.5581 175.7569 32 T 4.3671 7.9965 111.0832 60.6874 71.5381 175.4321 33 A 3.9905 8.4124 121.7106 55.6101 18.0698 178.8579 34 A 3.8661 8.0413 117.4648 55.5213 18.5404 178.7777 35 E 3.8683 8.3607 115.2192 59.8709 29.5256 179.9924 36 M 4.3980 7.8942 117.1579 58.4524 32.1740 178.1677 37 N 4.5180 8.0562 114.6896 54.3118 39.0576 175.1557 38 E 4.4576 7.4309 120.8081 56.1382 31.1739 175.6298 39 T 5.2723 8.3308 111.3278 60.2740 71.4129 173.8127 40 V 4.5788 9.0149 116.4940 59.7084 36.5041 173.8185 41 E 5.0466 8.7677 124.1727 55.5332 30.7500 175.6346 42 V 4.5748 8.6804 118.7565 59.1613 36.5994 174.9373 43 I 4.1068 8.0532 123.6604 61.6527 36.9773 176.7207 44 S 4.4402 8.8128 121.6575 60.8148 63.1198 174.9659 45 E 4.3181 7.7949 118.7130 55.4529 30.2573 175.7632 46 M 4.4706 8.1084 119.6424 54.2811 33.2716 176.1313 47 F 4.3565 8.7056 123.9131 57.8810 40.4407 174.2972 48 D 4.5462 7.5401 126.2270 52.0892 43.2368 176.0050 49 L 3.7189 8.2512 126.6487 56.9128 42.0574 178.2814 50 Q 3.9917 8.0698 119.4374 58.4270 29.0833 175.5136 51 E 4.3043 7.6099 118.2651 53.6097 30.1884 170.9524 52 P 3.9222 0.0000 0.0000 61.3283 31.2871 176.3299 53 T 4.5522 7.5827 111.7439 60.7853 71.9399 173.8635 54 C 5.2228 8.6903 116.8212 57.0698 38.7790 175.9434 55 L 4.0419 7.4157 121.2766 58.6165 41.6487 178.1005 56 Q 4.0500 8.2690 117.2709 59.3575 28.7354 178.9248 57 T 3.8312 8.0694 116.2662 66.5406 68.5678 176.6148 58 R 3.5221 8.5724 121.6157 59.2190 30.0384 178.6091 59 L 4.1536 8.1521 119.1598 57.5005 41.5791 178.9393 60 E 3.9062 8.3169 119.4646 59.5408 29.5631 179.0081 61 L 4.0429 7.7893 118.8075 57.8493 41.3648 179.2537 62 Y 4.6495 7.3972 115.5911 61.1033 38.0817 178.3901 63 K 4.2332 8.2329 119.3177 59.8499 32.0411 179.1788 64 Q 4.1687 8.0314 116.8802 59.0894 28.7300 178.8635 65 G 3.7099 8.1860 103.2561 43.9262 0.0000 173.2972 66 L 4.3332 7.6340 122.1943 54.2881 41.9453 176.6951 67 R 4.6807 8.4800 121.5682 54.6806 35.0195 177.5398 68 G 3.9255 8.2246 108.7893 46.5789 0.0000 177.0458 69 S 4.2112 8.6586 118.4694 61.1730 62.5651 175.7741 70 L 4.3019 7.8718 120.8708 56.5745 41.2870 178.9733 71 T 3.9258 7.8966 116.0682 66.3541 68.0669 176.3218 72 K 4.1144 7.7725 119.3739 59.0483 32.3588 178.5080 73 L 4.2486 8.1176 117.8850 55.4552 41.3768 178.7601 74 K 4.0417 7.9737 121.2897 59.5655 32.1169 178.4548 75 G 3.7049 8.1298 105.2365 47.5103 0.0000 173.1844 76 P 4.2797 0.0000 0.0000 65.3053 31.4128 178.6481 77 L 4.1339 8.0919 117.3344 58.2253 41.4898 179.8598 78 T 3.9901 8.1294 115.8149 66.8003 68.3915 176.7966 79 M 4.1211 8.3919 121.0972 58.5329 31.8178 178.6534 80 M 4.1180 8.5668 119.0881 58.3747 32.1886 178.5953 81 A 4.2240 8.2918 120.8531 55.3647 18.4920 179.9110 82 S 4.0226 8.1733 113.5584 61.9441 62.9633 175.9568 83 H 3.8011 8.0704 120.8960 59.8550 29.4447 176.5990 84 Y 4.2719 7.3747 117.9719 60.8791 37.4898 178.6930 85 K 4.0258 7.9361 119.5990 59.7509 32.4580 178.6055 86 Q 4.1486 8.1653 117.2208 58.3995 28.8933 176.7180 87 H 4.7503 8.3378 114.7434 55.8107 29.9300 173.9085 88 C 4.8780 7.7108 116.0301 53.5675 43.1822 171.8834 89 P 4.5713 0.0000 0.0000 61.8472 31.5846 174.6468 90 P 4.4260 0.0000 0.0000 63.4842 31.8390 175.6275 91 T 4.5568 8.2276 111.6185 58.8367 71.0801 172.5309 92 P 4.2883 0.0000 0.0000 63.3076 31.9782 177.0749 93 E 4.6132 8.5983 128.1353 55.8997 28.9762 176.7252 94 T 4.2411 7.6779 108.6165 62.6656 71.5697 175.3265 95 S 4.5998 7.8082 116.8376 56.2591 61.1294 173.8230 96 C 4.7704 7.6238 119.7256 54.0979 40.6883 173.6200 97 A 4.4474 7.9038 125.3289 52.0492 19.7906 176.1669 98 T 5.2810 8.2008 108.8929 60.1970 72.1264 172.2996 99 Q 4.6225 8.9327 120.7803 54.8825 33.1701 173.0078 100 I 5.0676 8.3567 124.1917 59.5964 39.2504 174.9055 101 I 4.7906 8.9800 120.1273 58.8275 41.7600 174.9034 102 T 4.5189 8.3884 116.3337 61.6018 68.2711 174.7202 103 F 4.2655 9.3257 129.1340 61.6825 39.1073 177.0975 104 E 3.9495 8.5246 118.2708 59.6879 29.1897 178.8378 105 S 4.3142 7.9776 114.4307 60.8607 62.9977 176.0348 106 F 4.1137 8.2158 123.6306 61.2750 39.0640 176.9444 107 K 3.7039 7.8936 117.9624 59.9423 31.9337 179.1576 108 E 3.9874 7.7638 116.8703 59.1916 29.3094 179.0019 109 N 4.3152 8.3476 117.8567 56.2676 38.8857 176.8331 110 L 3.3041 7.8153 122.1746 57.8544 41.9601 178.6955 111 K 3.8046 7.9463 118.5335 59.7946 31.8086 178.0860 112 D 4.5045 8.1319 119.0921 57.0827 40.8403 178.4254 113 F 4.3176 8.2382 121.2799 61.4381 39.1981 177.2374 114 L 3.9348 8.0909 117.2942 57.1156 41.4536 178.7307 115 L 4.2545 7.4425 116.3596 55.9615 41.8395 177.6753 116 V 4.3086 7.2712 110.3674 61.3419 33.8018 176.5344 117 I 3.8489 7.3753 112.8468 60.0683 37.8294 173.9817 118 P 4.6686 0.0000 0.0000 62.4525 32.2931 176.4903 119 F 4.7730 8.8406 118.9098 59.9791 40.2199 175.9678 120 D 4.6826 8.5201 117.2399 54.4329 41.8101 178.3225 121 C 4.2764 8.6613 126.4938 56.1036 43.2649 171.3628 122 W 4.9842 6.7531 120.3674 57.1735 30.7757 172.8589 123 E 3.7259 9.0217 117.5163 56.6410 25.0176 172.9148 124 P 4.4800 0.0000 0.0000 62.5315 31.4673 176.5040 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 R 8.25 4.25 0.00 1.58 1.77 0.00 2.91 0.00 0.00 2.73 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 5 S 8.14 4.50 0.00 3.93 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 6 P 0.00 4.77 0.00 2.19 2.21 0.00 3.78 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 2.53 2.25 0.00 7 S 8.29 4.76 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.36 0.00 2.23 2.28 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 9 S 7.81 4.27 0.00 3.89 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 10 T 7.79 4.39 4.19 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 1.17 0.00 0.00 11 Q 8.12 4.11 0.00 1.91 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.35 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 12 P 0.00 4.56 0.00 2.02 2.39 0.00 3.42 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 13 W 7.90 4.13 0.00 3.39 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.23 4.03 0.00 2.03 2.01 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 2.43 2.42 0.00 15 H 8.12 3.94 0.00 2.94 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.62 2.96 1.84 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 0.25 0.00 0.00 -0.04 0.00 0.00 17 N 8.88 4.33 0.00 2.95 2.85 0.00 0.00 6.93 5.57 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 18 A 8.39 3.98 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 19 I 7.63 3.67 1.89 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 1.34 1.03 0.95 0.00 0.00 20 Q 8.00 3.94 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 21 E 8.69 3.94 0.00 2.17 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 2.31 2.37 0.00 22 A 8.56 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 23 R 7.63 3.89 0.00 1.84 2.01 0.00 3.33 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 24 R 7.77 4.03 0.00 1.83 2.07 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 25 L 7.98 4.02 0.00 1.81 1.72 0.97 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.28 4.11 0.00 1.69 1.74 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.78 4.65 0.00 2.99 2.86 0.00 0.00 7.00 7.88 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 28 L 8.04 4.22 0.00 1.63 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.02 3.96 0.00 3.95 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 30 R 8.19 4.56 0.00 1.96 1.88 0.00 3.07 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 31 D 8.62 5.01 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 32 T 8.00 4.37 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 33 A 8.41 3.99 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 34 A 8.04 3.87 1.24 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 35 E 8.36 3.87 0.00 1.86 1.46 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 2.23 2.42 0.00 36 M 7.89 4.40 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.09 0.00 37 N 8.06 4.52 0.00 3.00 2.86 0.00 0.00 7.11 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 38 E 7.43 4.46 0.00 1.89 1.77 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 2.24 2.12 0.00 39 T 8.33 5.27 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 40 V 9.01 4.58 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 0.56 0.00 0.00 1.05 0.00 0.00 41 E 8.77 5.05 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 42 V 8.68 4.57 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 0.87 0.00 0.00 0.96 0.00 0.00 43 I 8.05 4.11 1.69 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 1.21 0.57 0.86 0.00 0.00 44 S 8.81 4.44 0.00 3.96 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 45 E 7.79 4.32 0.00 1.97 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 2.29 2.25 0.00 46 M 8.11 4.47 0.00 2.06 2.00 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 2.59 2.48 0.00 47 F 8.71 4.36 0.00 3.11 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 48 D 7.54 4.55 0.00 2.59 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 0.00 0.00 0.00 0.00 49 L 8.25 3.72 0.00 1.63 1.73 1.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.07 3.99 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 51 E 7.61 4.30 0.00 1.79 1.63 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 2.09 2.14 0.00 52 P 0.00 3.92 0.00 1.31 1.09 0.00 3.49 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.00 53 T 7.58 4.55 4.19 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 1.12 0.00 0.00 54 C 8.69 5.22 0.00 3.16 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 55 L 7.42 4.04 0.00 1.81 1.63 0.48 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 56 Q 8.27 4.05 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 57 T 8.07 3.83 4.35 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 0.00 0.00 0.00 1.16 0.00 0.00 58 R 8.57 3.52 0.00 1.73 1.79 0.00 2.78 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.04 0.00 59 L 8.15 4.15 0.00 1.94 1.83 1.18 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.32 3.91 0.00 2.29 2.13 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 2.30 2.41 0.00 61 L 7.79 4.04 0.00 1.51 1.82 0.82 0.93 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 62 Y 7.40 4.65 0.00 3.16 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 63 K 8.23 4.23 0.00 2.07 1.93 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.74 7.81 64 Q 8.03 4.17 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.20 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 65 G 8.19 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.63 4.33 0.00 1.76 1.73 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.48 4.68 0.00 1.11 1.40 0.00 3.32 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.92 0.00 68 G 8.22 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.66 4.21 0.00 4.21 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.87 4.30 0.00 2.08 1.89 0.97 0.64 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 71 T 7.90 3.93 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 1.23 0.00 0.00 72 K 7.77 4.11 0.00 1.77 1.90 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.59 7.81 73 L 8.12 4.25 0.00 1.94 1.75 1.00 0.93 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 74 K 7.97 4.04 0.00 2.06 1.84 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.56 7.81 75 G 8.13 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.28 0.00 2.31 2.30 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 77 L 8.09 4.13 0.00 1.95 1.84 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.13 3.99 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 1.25 0.00 0.00 79 M 8.39 4.12 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 80 M 8.57 4.12 0.00 2.27 2.45 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.61 0.00 81 A 8.29 4.22 1.55 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 0.00 0.00 82 S 8.17 4.02 0.00 3.89 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 83 H 8.07 3.80 0.00 3.06 3.10 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 7.37 4.27 0.00 3.16 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 85 K 7.94 4.03 0.00 2.04 2.00 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.55 7.81 86 Q 8.17 4.15 0.00 1.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 87 H 8.34 4.75 0.00 2.89 3.18 0.00 5.59 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 88 C 7.71 4.88 0.00 2.89 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 0.00 0.00 0.00 89 P 0.00 4.57 0.00 2.35 2.10 0.00 3.23 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 90 P 0.00 4.43 0.00 2.13 2.12 0.00 3.74 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 2.17 0.00 91 T 8.23 4.56 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 92 P 0.00 4.29 0.00 2.22 2.25 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 93 E 8.60 4.61 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.23 0.00 94 T 7.68 4.24 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 95 S 7.81 4.60 0.00 3.81 3.79 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 96 C 7.62 4.77 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.90 4.45 1.22 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 98 T 8.20 5.28 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 1.28 0.00 0.00 99 Q 8.93 4.62 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 100 I 8.36 5.07 1.89 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 1.41 1.05 0.93 0.00 0.00 101 I 8.98 4.79 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.26 0.95 0.00 0.00 102 T 8.39 4.52 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 1.30 0.00 0.00 103 F 9.33 4.27 0.00 3.16 3.16 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 0.00 104 E 8.52 3.95 0.00 2.16 2.01 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 2.41 2.46 0.00 105 S 7.98 4.31 0.00 4.12 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 0.00 106 F 8.22 4.11 0.00 3.05 3.02 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 0.00 0.00 0.00 107 K 7.89 3.70 0.00 1.95 1.77 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 0.99 7.81 108 E 7.76 3.99 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 109 N 8.35 4.32 0.00 2.83 2.83 0.00 0.00 6.74 6.31 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 0.00 110 L 7.82 3.30 0.00 1.15 1.50 0.07 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.95 3.80 0.00 1.81 1.94 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 112 D 8.13 4.50 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.24 4.32 0.00 3.15 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 0.00 114 L 8.09 3.93 0.00 1.62 1.69 0.89 1.33 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 0.00 115 L 7.44 4.25 0.00 1.65 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.27 4.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.09 0.00 0.00 117 I 7.38 3.85 1.91 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.54 -0.22 0.00 0.00 118 P 0.00 4.67 0.00 2.48 2.31 0.00 4.03 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 119 F 8.84 4.77 0.00 2.91 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 0.00 120 D 8.52 4.68 0.00 2.66 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 0.00 0.00 0.00 0.00 121 C 8.66 4.28 0.00 2.53 1.84 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 0.00 122 W 6.75 4.98 0.00 3.34 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 0.00 123 E 9.02 3.73 0.00 2.30 2.17 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 2.33 2.70 0.00 124 P 0.00 4.48 0.00 2.06 1.97 0.00 3.72 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 2.03 2.09 0.00