NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1925 8.1849 122.4759 55.1129 43.1966 175.8357 3 T 4.2530 8.2770 122.5449 61.5977 70.2596 172.6524 4 S 4.6727 9.1850 122.3262 57.1846 64.8476 174.1865 5 C 4.9697 8.3436 122.1017 53.9410 38.5168 172.3444 6 P 4.4294 0.0000 0.0000 61.7931 31.5922 174.1935 7 P 4.5391 0.0000 0.0000 64.3480 31.5678 176.9017 8 L 3.8683 8.7191 119.0819 54.6418 40.0394 174.4189 9 W 4.7573 7.7981 117.4046 55.8492 31.3972 175.3241 10 T 4.8032 9.1163 114.2164 60.9622 70.6323 172.4228 11 G 4.5501 8.8279 114.0054 44.4125 0.0000 172.1544 12 F 4.4973 8.9043 125.1243 57.5310 42.4422 174.4337 13 N 3.6366 9.0999 125.4535 54.2040 35.9738 175.1588 14 G 3.8930 8.0602 105.7108 44.8880 0.0000 173.8508 15 K 4.4214 7.6862 118.6930 54.5401 34.8489 174.0537 16 C 5.3620 7.9851 117.9684 55.2388 43.6571 172.8956 17 F 5.9782 9.6080 122.6715 55.8320 42.1776 174.4857 18 R 4.4600 8.6574 121.7575 54.1606 33.3296 173.6255 19 L 4.4449 8.1331 128.2207 54.5576 42.8117 175.5135 20 F 4.3825 8.7956 126.0002 56.4123 40.4355 176.6903 21 H 4.4679 9.0630 119.3517 56.3396 29.3210 174.7639 22 N 4.9128 8.1449 117.6924 51.1927 38.1929 174.4255 23 H 4.5713 9.2419 120.9834 56.4638 29.3092 174.7697 24 L 5.0735 9.0871 122.6121 52.5652 46.3923 176.0165 25 N 5.8901 8.5440 118.5117 52.0425 39.0683 175.8227 26 F 3.1778 8.9520 120.1748 61.3358 39.1952 176.4072 27 D 4.3470 8.2569 117.7645 57.8707 40.7280 178.8465 28 N 4.2648 8.0466 115.6874 55.8286 38.3914 177.2956 29 A 3.0410 8.0183 122.9579 54.6917 18.3590 179.1982 30 E 3.6387 7.6806 117.9218 59.2929 29.4323 178.4756 31 N 4.1515 8.0594 115.9849 56.6657 39.4203 176.0934 32 A 3.9958 8.2009 122.4442 55.6066 18.4719 179.0568 33 C 4.6464 7.9995 114.7611 60.0988 40.1305 175.9131 34 R 4.0989 7.6367 117.1128 57.7322 29.6140 178.2388 35 Q 3.9614 7.4393 117.9569 57.3915 29.3395 176.3603 36 F 4.6298 7.2636 118.5133 57.6024 40.5103 175.5858 37 G 4.0688 8.2521 107.3842 45.4218 0.0000 170.8497 38 L 4.8867 8.7053 120.6988 53.2133 44.9457 175.9807 39 A 5.3320 8.5562 127.1346 49.6780 22.3373 175.8129 40 S 4.3018 8.7876 114.3318 57.9997 63.9979 175.2391 41 C 3.9522 8.8817 120.3960 63.3365 28.0007 175.5899 42 S 4.1182 7.2800 115.0177 61.1378 62.5403 174.9184 43 G 3.8900 7.8667 108.3850 45.8381 0.0000 174.2494 44 D 4.4554 8.1235 121.0030 53.5564 41.4937 175.2353 45 E 4.2273 8.7484 125.0748 56.5049 30.1407 175.9192 46 L 4.6401 8.5273 125.9337 56.0638 44.0875 175.8815 47 A 4.4829 7.3156 117.9857 51.8080 22.5409 175.0215 48 T 4.9993 8.4062 114.6657 61.5397 72.1863 174.7896 49 G 4.0173 8.9646 112.1521 47.1429 0.0000 171.8096 50 H 5.0814 8.9785 116.1798 53.9955 34.0804 173.1983 51 L 4.6743 8.8464 119.7538 54.9561 42.0946 177.7512 52 A 4.4059 9.0528 124.9220 52.5597 19.4269 176.9720 53 S 3.5626 8.3156 115.1923 55.8308 65.4059 173.7523 54 I 4.3637 5.4200 121.0856 60.0948 39.9361 175.1662 55 H 5.1521 8.3135 120.4781 54.4166 30.1915 173.5358 56 S 4.4086 7.1700 112.8487 56.4535 65.8761 176.5329 57 A 3.9342 8.1994 124.3894 55.6044 17.9274 179.9849 58 E 3.8864 8.0369 116.1005 59.8831 29.6885 179.0001 59 S 3.8365 8.0008 114.9373 62.0360 62.9615 176.4620 60 Q 3.8126 7.9338 121.3011 59.6405 28.6314 179.0786 61 A 3.8751 7.9407 121.4030 54.7302 18.3678 179.2471 62 F 3.8713 7.6888 119.5787 61.2131 39.4759 177.1914 63 L 3.2295 7.6557 118.5317 57.9002 41.1259 179.8189 64 T 3.6179 7.5079 115.3631 66.7008 68.3392 176.1851 65 E 3.8333 7.9244 121.0970 58.8033 29.5471 178.2415 66 L 3.6001 7.6327 120.8744 58.1773 41.5093 179.2837 67 V 3.3833 7.4782 117.5447 66.0102 31.3376 178.0202 68 K 3.8691 8.1052 117.5043 59.5541 31.9719 178.9065 69 T 4.1521 7.8822 108.7735 63.9711 69.1987 176.9713 70 S 4.3081 7.9799 117.2300 60.3213 63.2020 174.2154 71 L 4.8881 7.6415 121.9841 53.4771 42.6551 176.6449 72 P 4.4213 0.0000 0.0000 65.4113 31.4711 176.6571 73 D 4.5684 8.0225 116.9239 55.2670 41.0228 176.4444 74 L 4.5203 8.0513 118.5294 54.2788 42.4948 176.4382 75 I 3.9509 7.5971 120.9541 61.0802 37.0005 175.4572 76 T 4.5311 8.3762 116.6631 59.8974 71.1601 175.7956 77 G 3.7243 8.8582 108.1092 46.9131 0.0000 174.3700 78 G 4.4492 8.1669 109.1403 46.4077 0.0000 176.3145 79 W 4.7040 9.6730 124.1605 57.7241 30.7113 175.4636 80 A 4.5335 8.2747 121.5618 51.6331 19.1437 175.0409 81 P 4.9460 0.0000 0.0000 62.1447 33.6861 174.5929 82 Q 4.8512 8.3978 120.7573 54.3535 30.3901 174.9606 83 V 4.4654 8.5778 124.1921 60.8042 34.3694 174.4285 84 Y 5.0341 9.1444 126.7292 58.6010 38.8407 175.5074 85 I 4.9639 8.6342 116.2808 58.6456 41.6836 175.6706 86 G 4.3480 9.1614 107.8029 46.9467 0.0000 173.1149 87 M 4.2551 8.1536 121.6339 54.9323 33.3983 175.2378 88 K 4.6439 9.0542 125.6526 54.3957 36.0832 175.2512 89 V 4.3904 8.4185 123.9872 60.7473 33.7532 173.7471 90 G 3.9856 8.8701 125.6521 46.4969 0.0000 174.4810 91 S 4.1950 8.9845 117.9159 61.6891 63.7582 174.3660 92 T 4.0362 8.3938 114.9449 61.8275 67.8233 175.5083 93 N 4.3971 8.5940 123.7534 55.1911 38.6066 175.8385 94 S 4.5444 7.4758 111.2825 58.3161 64.0463 175.0204 95 D 4.6011 7.7316 124.1917 53.3060 39.0437 174.6266 96 Q 4.9741 7.7076 118.2538 54.8934 30.3134 176.2527 97 T 4.7306 8.4655 113.7169 59.6489 72.8064 172.9008 98 W 5.5269 8.5516 121.4960 55.3447 31.3960 177.7065 99 T 4.1442 8.7702 112.8241 64.4043 68.5642 175.5889 100 D 3.8733 8.1286 119.9829 53.9918 39.7904 177.1783 101 G 3.9711 8.0055 108.2858 45.1813 0.0000 173.5172 102 S 4.4322 8.9032 114.9858 58.2321 63.6447 173.3425 103 S 5.0194 8.2569 114.6446 56.4140 64.7098 175.5925 104 V 4.4269 8.4660 123.2915 63.2208 28.7959 174.9232 105 D 5.0252 8.7252 119.5620 52.4693 40.3312 176.3703 106 Y 4.7524 8.1575 120.2340 56.0109 41.6324 173.6515 107 D 4.5555 7.8492 126.3341 52.7232 42.0640 175.3025 108 G 2.9602 5.9023 114.1113 44.0952 0.0000 171.3563 109 W 4.8409 6.4681 118.1971 56.4952 29.7814 176.4947 110 V 3.6398 9.2267 124.2630 62.8945 32.3934 174.7788 111 S 4.0351 8.3056 120.8714 60.1949 61.9621 174.3648 112 G 4.0683 9.4823 116.5341 44.9949 0.0000 172.5340 113 E 4.6023 7.9453 118.9838 53.5245 31.7151 174.0154 114 P 4.2736 0.0000 0.0000 62.4568 32.1269 175.0535 115 N 4.4818 7.8109 115.0791 52.8886 39.3700 174.4939 116 N 4.8398 8.9962 116.6526 53.0989 39.4143 174.9660 117 G 3.7132 7.7642 107.4228 43.8563 0.0000 172.1734 118 P 4.8009 0.0000 0.0000 62.6963 31.8159 175.4784 119 N 4.1107 8.1197 113.6333 54.2745 36.6914 174.9364 120 S 4.5859 6.9970 110.8419 57.7824 65.7705 172.8160 121 R 4.8932 8.7706 117.2970 54.6227 34.7467 175.1101 122 G 4.5592 8.7196 108.2232 45.3574 0.0000 172.5787 123 A 5.1974 8.7601 121.7307 49.9916 23.3569 175.9086 124 I 4.2916 8.8972 122.8867 61.4766 38.6674 175.1153 125 A 5.1369 8.6460 128.0229 50.3039 20.5576 176.1998 126 A 4.2367 9.2136 123.5194 53.1754 19.2945 177.7809 127 G 3.8740 8.3779 104.3394 46.1996 0.0000 174.7594 128 D 4.4591 8.8502 120.3924 56.7666 40.6881 177.6931 129 Y 4.2701 8.1873 120.4347 60.3934 38.7164 176.9576 130 S 3.7840 7.9050 112.0465 58.0325 63.7365 174.2878 131 R 3.7623 9.1339 116.8889 57.1013 28.6549 176.3716 132 G 3.8853 7.9458 107.0279 47.4746 0.0000 174.9670 133 F 4.4987 7.9680 118.0719 56.8928 40.5594 175.0620 134 W 5.1532 9.0541 120.2104 56.6611 30.5689 175.6913 135 A 5.7162 9.3952 123.7161 50.4265 22.2540 174.6021 136 D 5.7898 9.1019 119.7404 52.3221 41.6953 176.0355 137 V 4.7929 8.7201 113.5486 60.3743 37.0404 173.5098 138 Y 4.8778 8.8855 118.3621 56.9173 39.3664 177.4450 139 S 4.1170 9.0560 117.3686 61.2070 62.8946 175.5042 140 N 4.8380 8.1206 115.1033 52.4207 38.1063 174.6924 141 N 4.1992 8.4265 118.2142 54.3158 39.9248 173.5839 142 N 5.0985 8.2248 119.8384 51.8864 40.1827 174.0567 143 F 5.0452 9.0461 121.7261 55.1601 44.2911 174.5618 144 K 4.8021 8.5817 119.0965 57.2749 33.2834 175.7034 145 Y 5.5758 8.3776 119.5259 55.8165 42.4441 173.6462 146 I 4.9779 8.5429 120.0541 59.9337 39.9511 174.6175 147 C 5.6804 9.3998 124.7428 55.4728 42.3339 172.6315 148 Q 5.4678 9.4314 118.8694 54.3973 31.1176 175.2711 149 L 4.3602 8.6899 122.4782 53.5755 42.6839 175.0871 150 P 4.2056 0.0000 0.0000 63.5915 31.8470 175.4267 151 C 4.4025 8.5936 124.4338 58.0266 32.4820 173.0282 152 V 4.4912 7.8338 125.3109 60.6799 33.7540 172.9999 153 H 4.7603 8.0659 116.6893 53.6897 31.6197 172.5585 154 Y 4.3643 8.1121 118.5899 58.1081 38.3922 175.4931 155 T 4.5558 8.5222 114.0089 60.3724 69.7717 174.4012 156 L 4.7090 8.2055 128.0336 54.9459 42.5630 176.5135 157 E 4.1231 8.2962 123.6015 56.6797 29.1979 177.4637 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 2 L 8.18 4.19 0.00 1.56 1.61 0.88 0.61 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 3 T 8.28 4.25 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 1.14 0.00 0.00 4 S 9.18 4.67 0.00 3.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.34 4.97 0.00 2.95 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 6 P 0.00 4.43 0.00 2.05 1.88 0.00 3.33 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.78 0.00 7 P 0.00 4.54 0.00 2.23 2.10 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 8 L 8.72 3.87 0.00 1.91 1.76 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 9 W 7.80 4.76 0.00 3.29 3.23 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 10 T 9.12 4.80 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 1.48 0.00 0.00 11 G 8.83 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.90 4.50 0.00 1.53 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 13 N 9.10 3.64 0.00 2.77 2.71 0.00 0.00 7.30 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 14 G 8.06 3.89 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 0.00 0.00 0.00 15 K 7.69 4.42 0.00 1.53 1.23 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.32 7.81 16 C 7.99 5.36 0.00 2.56 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.61 5.98 0.00 3.22 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 18 R 8.66 4.46 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.66 0.00 19 L 8.13 4.44 0.00 1.46 1.31 0.78 0.52 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 20 F 8.80 4.38 0.00 1.51 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 21 H 9.06 4.47 0.00 3.12 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.14 4.91 0.00 2.94 2.97 0.00 0.00 6.09 7.90 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 23 H 9.24 4.57 0.00 3.06 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.09 5.07 0.00 1.47 1.36 0.96 0.07 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 25 N 8.54 5.89 0.00 3.10 3.17 0.00 0.00 6.36 8.12 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 26 F 8.95 3.18 0.00 2.67 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 27 D 8.26 4.35 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.05 4.26 0.00 2.66 2.76 0.00 0.00 6.91 7.54 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 29 A 8.02 3.04 0.75 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 0.00 0.00 30 E 7.68 3.64 0.00 1.55 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 2.26 2.29 0.00 31 N 8.06 4.15 0.00 2.82 2.80 0.00 0.00 7.23 7.54 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 32 A 8.20 4.00 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 33 C 8.00 4.65 0.00 3.19 3.38 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 34 R 7.64 4.10 0.00 1.85 1.92 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 35 Q 7.44 3.96 0.00 1.56 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 36 F 7.26 4.63 0.00 3.16 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.25 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.71 4.89 0.00 1.61 1.43 0.87 1.19 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 39 A 8.56 5.33 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.79 4.30 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.88 3.95 0.00 2.98 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 42 S 7.28 4.12 0.00 4.22 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 43 G 7.87 3.89 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 0.00 0.00 0.00 44 D 8.12 4.46 0.00 2.72 2.60 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 45 E 8.75 4.23 0.00 1.92 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 2.28 2.32 0.00 46 L 8.53 4.64 0.00 1.64 1.66 0.93 0.61 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 47 A 7.32 4.48 1.19 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 0.00 0.00 48 T 8.41 5.00 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 1.02 0.00 0.00 49 G 8.96 4.02 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 0.00 0.00 0.00 50 H 8.98 5.08 0.00 3.12 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.85 4.67 0.00 1.65 1.68 0.31 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 52 A 9.05 4.41 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 53 S 8.32 3.56 0.00 2.72 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 54 I 5.42 4.36 2.22 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.37 0.92 0.00 0.00 55 H 8.31 5.15 0.00 3.10 3.42 0.00 5.94 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.17 4.41 0.00 3.99 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 57 A 8.20 3.93 1.44 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 0.00 0.00 58 E 8.04 3.89 0.00 2.23 2.31 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 2.51 2.55 0.00 59 S 8.00 3.84 0.00 3.93 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 60 Q 7.93 3.81 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 61 A 7.94 3.88 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 62 F 7.69 3.87 0.00 2.06 2.43 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 63 L 7.66 3.23 0.00 1.42 1.37 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.51 3.62 4.16 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 0.99 0.00 0.00 65 E 7.92 3.83 0.00 2.02 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 2.21 2.23 0.00 66 L 7.63 3.60 0.00 1.11 1.34 0.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.48 3.38 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 0.86 0.00 0.00 0.82 0.00 0.00 68 K 8.11 3.87 0.00 1.71 1.78 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.35 7.81 69 T 7.88 4.15 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 1.15 0.00 0.00 70 S 7.98 4.31 0.00 3.97 3.88 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 71 L 7.64 4.89 0.00 1.85 1.54 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.42 0.00 2.15 2.16 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 73 D 8.02 4.57 0.00 2.69 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 74 L 8.05 4.52 0.00 1.71 1.69 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.60 3.95 1.86 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 1.71 0.70 0.89 0.00 0.00 76 T 8.38 4.53 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 1.34 0.00 0.00 77 G 8.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.17 4.45 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 0.00 0.00 0.00 79 W 9.67 4.70 0.00 3.38 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 4.53 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 81 P 0.00 4.95 0.00 2.09 2.18 0.00 3.66 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 1.99 1.96 0.00 82 Q 8.40 4.85 0.00 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 83 V 8.58 4.47 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 1.12 0.00 0.00 0.83 0.00 0.00 84 Y 9.14 5.03 0.00 3.14 2.91 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 85 I 8.63 4.96 2.09 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 0.87 0.00 0.00 86 G 9.16 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 0.00 0.00 0.00 0.00 87 M 8.15 4.26 0.00 1.82 0.90 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.03 0.00 88 K 9.05 4.64 0.00 1.62 1.53 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 1.35 7.81 89 V 8.42 4.39 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 0.81 0.00 0.00 0.97 0.00 0.00 90 G 8.87 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 0.00 0.00 0.00 91 S 8.98 4.19 0.00 3.84 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 92 T 8.39 4.04 4.21 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 1.27 0.00 0.00 93 N 8.59 4.40 0.00 2.64 2.68 0.00 0.00 6.91 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 94 S 7.48 4.54 0.00 3.98 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 95 D 7.73 4.60 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.71 4.97 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 97 T 8.47 4.73 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 98 W 8.55 5.53 0.00 3.40 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 99 T 8.77 4.14 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 1.51 0.00 0.00 100 D 8.13 3.87 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.01 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 0.00 102 S 8.90 4.43 0.00 3.94 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 0.00 103 S 8.26 5.02 0.00 4.11 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 0.00 104 V 8.47 4.43 2.18 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 1.02 0.00 0.00 0.76 0.00 0.00 105 D 8.73 5.03 0.00 2.97 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 0.00 106 Y 8.16 4.75 0.00 3.16 3.40 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 0.00 107 D 7.85 4.56 0.00 2.59 2.28 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 0.00 108 G 5.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 6.47 4.84 0.00 3.16 3.31 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 0.00 110 V 9.23 3.64 2.37 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 0.83 0.00 0.00 1.10 0.00 0.00 111 S 8.31 4.04 0.00 3.83 3.75 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 0.00 112 G 9.48 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.95 4.60 0.00 2.41 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 0.00 2.65 2.89 0.00 114 P 0.00 4.27 0.00 1.76 1.24 0.00 3.12 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.00 115 N 7.81 4.48 0.00 2.70 3.01 0.00 0.00 6.78 9.28 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 0.00 116 N 9.00 4.84 0.00 2.38 2.32 0.00 0.00 6.87 7.23 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 0.00 117 G 7.76 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 0.00 118 P 0.00 4.80 0.00 2.16 2.13 0.00 3.94 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 119 N 8.12 4.11 0.00 2.82 2.84 0.00 0.00 6.97 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 0.00 120 S 7.00 4.59 0.00 3.89 3.89 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 0.00 121 R 8.77 4.89 0.00 1.70 1.00 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.31 0.00 122 G 8.72 4.56 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 0.00 123 A 8.76 5.20 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 0.00 0.00 0.00 0.00 0.00 124 I 8.90 4.29 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.88 0.00 0.00 125 A 8.65 5.14 1.51 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 0.00 126 A 9.21 4.24 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 0.00 127 G 8.38 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.85 4.46 0.00 2.59 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 0.00 129 Y 8.19 4.27 0.00 2.95 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 0.00 130 S 7.91 3.78 0.00 3.87 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 9.13 3.76 0.00 1.98 2.01 0.00 2.92 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 132 G 7.95 3.89 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 0.00 0.00 0.00 133 F 7.97 4.50 0.00 3.12 3.01 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 0.00 134 W 9.05 5.15 0.00 2.87 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 0.00 135 A 9.40 5.72 1.61 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 0.00 136 D 9.10 5.79 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.72 4.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.44 0.00 0.00 138 Y 8.89 4.88 0.00 2.90 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 0.00 139 S 9.06 4.12 0.00 3.99 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 0.00 140 N 8.12 4.84 0.00 2.88 3.02 0.00 0.00 6.03 8.04 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 0.00 141 N 8.43 4.20 0.00 3.04 2.23 0.00 0.00 6.82 7.34 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 0.00 142 N 8.22 5.10 0.00 2.47 2.75 0.00 0.00 6.75 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 0.00 143 F 9.05 5.05 0.00 2.56 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.58 4.80 0.00 1.68 1.79 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.69 1.35 7.81 145 Y 8.38 5.58 0.00 3.09 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 0.00 146 I 8.54 4.98 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 1.02 0.00 0.00 147 C 9.40 5.68 0.00 3.25 3.41 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 0.00 148 Q 9.43 5.47 0.00 1.87 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 149 L 8.69 4.36 0.00 1.13 1.29 -0.15 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.21 0.00 1.86 2.00 0.00 3.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 151 C 8.59 4.40 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.83 4.49 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 0.57 0.00 0.00 0.85 0.00 0.00 153 H 8.07 4.76 0.00 3.16 3.15 0.00 5.53 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.11 4.36 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 T 8.52 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 1.20 0.00 0.00 156 L 8.21 4.71 0.00 1.65 1.69 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.30 4.12 0.00 1.95 1.89 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 2.34 2.44 0.00