NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4465 8.3349 115.4131 57.9854 64.3459 173.8048 2 K 4.0408 7.8261 118.9703 57.3582 33.0248 176.0693 3 T 4.3063 8.4105 117.3025 64.6989 71.3964 175.1540 4 N 4.4860 7.9428 120.4134 52.7271 39.9035 173.7959 5 P 4.3222 0.0000 0.0000 65.4817 31.4222 178.9794 6 R 3.9272 8.4125 117.3377 59.0715 30.0616 178.6703 7 L 3.9314 8.0297 119.7025 58.0538 42.2054 178.8263 8 S 4.0948 7.9499 112.7511 61.4681 62.3154 176.4207 9 S 4.1095 7.9477 117.8295 61.3252 62.5197 176.1096 10 L 3.8619 8.1632 123.4442 58.4918 41.7632 179.2097 11 I 3.6907 7.8476 119.2058 64.3286 37.0203 178.3620 12 A 4.0265 7.8494 121.2496 55.1151 18.1910 179.4498 13 D 4.2656 8.7413 117.8137 57.5410 41.0193 178.9403 14 L 3.9032 8.2174 119.8262 57.6161 41.5561 179.9241 15 K 4.0069 7.8406 118.0084 59.5512 32.0107 179.1767 16 S 4.1012 8.1653 113.1850 61.5231 62.2634 176.2185 17 A 4.0183 8.1084 123.1430 55.1150 17.9531 179.5292 18 A 4.8648 7.8605 119.2392 54.5332 18.4493 179.7299 19 R 4.1732 7.8263 116.0432 59.3419 30.6131 178.8880 20 S 4.2665 8.1868 113.9900 63.1526 63.4015 176.3047 21 S 4.5127 8.2342 118.1321 58.3535 64.3587 174.4319 22 G 3.9208 8.6050 110.1976 45.7011 0.0000 174.1906 23 G 3.7104 8.0807 109.5082 45.8142 0.0000 173.8813 24 A 4.5214 8.2493 124.7516 52.7545 20.5903 179.2067 25 V 3.3921 7.2082 110.8344 64.3523 31.6987 178.3128 26 W 4.7987 7.6790 118.3373 60.1759 28.8831 178.6749 27 G 3.7187 8.1840 104.9110 47.3863 0.0000 175.3095 28 D 4.3100 7.8487 120.2743 57.3914 41.3204 178.5374 29 V 3.6713 8.7847 119.6068 65.7184 31.4728 177.9091 30 A 4.0076 8.2036 120.8274 55.1913 18.0887 179.4764 31 E 3.9469 8.0576 116.7830 59.5612 29.2952 179.6228 32 R 3.9232 7.7235 117.4574 59.2576 30.2006 178.2759 33 L 3.9009 7.7504 118.1956 57.4434 41.6555 178.9125 34 E 4.1645 7.9909 118.0104 58.0613 29.5546 177.5968 35 K 4.2813 6.9959 117.5406 55.0084 32.9886 174.8596 36 P 4.3268 0.0000 0.0000 62.8823 31.9928 177.9195 37 R 3.4306 8.6941 120.8166 59.2975 30.1294 179.2431 38 R 4.0004 7.8954 113.0165 58.6665 29.5191 177.4835 39 T 4.2175 7.8480 108.0001 62.9800 69.5036 175.0769 40 H 4.2905 7.6854 119.2248 55.7025 29.4444 174.8582 41 A 4.1928 8.2237 124.2161 52.3417 19.5697 176.8415 42 E 4.7779 8.7015 120.0251 54.4633 31.6250 174.0741 43 V 4.3974 8.6035 124.1625 61.0283 34.2056 174.6538 44 N 5.2966 8.4905 124.2325 51.4142 40.4840 176.1122 45 L 4.1163 8.7043 120.4957 58.0871 41.1450 179.8769 46 G 3.7334 7.9161 105.5712 48.0401 0.0000 175.5449 47 R 3.9681 7.9419 120.0654 58.9683 30.1342 178.6848 48 I 3.7822 7.5734 119.3599 64.3561 37.0315 177.6446 49 E 3.9175 8.2343 119.2859 59.4259 29.4281 178.5903 50 R 3.8722 7.3980 116.9519 58.1603 30.1625 176.3223 51 Y 4.8147 7.3001 111.8868 57.3414 39.3999 175.4142 52 A 4.6177 7.9630 123.4063 51.1975 20.4553 176.8563 53 Q 4.6029 8.1090 116.1655 53.9821 31.7452 174.6668 54 E 4.1111 8.7620 119.7817 58.1470 29.9790 176.2589 55 D 4.3805 8.8317 118.9053 55.0986 38.3373 173.7127 56 E 4.6354 7.7811 118.8196 54.6561 32.0021 174.9404 57 T 4.1871 8.5062 124.7999 63.8628 69.7526 173.9374 58 V 4.2924 8.9573 127.7833 62.5349 33.0414 174.7256 59 V 4.7617 9.1723 128.5145 61.2963 33.5372 174.3091 60 V 4.7822 9.1629 129.7955 59.1191 32.8399 174.8486 61 P 4.7027 0.0000 0.0000 61.4335 31.9535 174.2105 62 G 4.1993 6.5573 113.6580 47.5533 0.0000 174.0319 63 K 5.0604 9.1845 126.6209 54.3060 35.8714 174.5367 64 V 4.7516 8.3843 126.5043 61.5742 33.2526 174.9179 65 L 4.9131 9.4655 128.4693 52.6935 44.9797 176.4127 66 G 4.1383 8.4392 105.7932 46.8207 0.0000 174.0066 67 S 4.4856 8.1547 117.0883 58.8274 64.5082 175.4584 68 G 4.0554 8.9534 110.0853 44.7176 0.0000 172.2363 69 V 4.3453 7.9395 116.9404 60.6286 33.8765 174.4260 70 L 4.8386 8.5231 128.0898 53.4912 43.7496 175.4680 71 Q 4.5188 10.2161 125.3943 56.5437 30.9061 176.8395 72 K 4.0549 8.1411 116.6644 56.7055 32.9309 177.1766 73 D 5.5271 8.5320 123.7916 52.9336 39.4732 174.8929 74 V 4.4481 7.6336 115.4529 59.6532 36.0492 175.2801 75 T 4.8845 8.3405 118.3756 62.2093 70.6235 173.6379 76 V 4.7970 8.7236 127.3885 61.2159 33.8297 174.1818 77 A 5.9400 10.0195 130.4429 49.6364 20.8370 175.1173 78 A 4.9978 8.3515 122.6557 49.3002 22.8435 176.8541 79 V 3.5661 8.3140 119.2257 66.2054 32.0940 175.5354 80 D 4.5662 7.1010 116.6253 53.6014 44.3733 174.4353 81 F 5.4707 8.8414 120.1767 55.4157 43.0551 175.0637 82 S 4.3886 9.0048 116.5847 57.9377 64.1587 175.5299 83 G 3.6860 8.8982 107.1864 48.4523 0.0000 176.0693 84 T 3.9014 7.9118 117.5445 66.1193 68.4738 176.2113 85 A 4.0180 7.9662 122.6716 55.5348 18.3624 179.3544 86 E 3.6153 8.3066 117.1947 59.3522 29.3025 179.4043 87 T 3.9151 7.2756 115.3120 66.4372 69.0612 176.7421 88 K 4.4080 8.0868 121.7933 59.0344 32.0010 179.4704 89 I 3.7234 7.9697 120.2621 64.5560 36.8594 178.0325 90 D 4.6444 7.5090 119.0709 55.9629 40.5210 178.2240 91 Q 4.2091 7.9595 118.8004 57.7360 28.7246 177.3827 92 V 4.5810 7.5589 109.7860 60.6625 34.3993 174.3761 93 G 4.3117 8.1425 111.4974 44.8007 0.0000 173.5670 94 E 5.1303 9.5239 125.4644 54.6349 33.4434 173.3137 95 A 4.9050 8.7855 129.0286 50.5292 20.4442 176.5144 96 V 4.6262 9.1233 122.3107 60.9319 35.6495 175.1040 97 S 5.1128 8.6202 119.9691 57.4820 64.3845 175.2158 98 L 3.9135 8.1011 121.5312 58.0469 41.3513 179.9137 99 E 3.8347 8.0548 118.1993 59.1602 29.2969 179.2169 100 Q 4.0212 7.8987 117.6105 58.6365 28.9020 177.9486 101 A 4.0408 7.9900 121.8971 55.6628 18.1857 179.7876 102 I 3.0333 7.2720 116.6701 64.1803 37.0521 178.0093 103 E 4.0652 7.3545 118.2149 59.0536 29.6475 177.9965 104 N 4.6562 8.3695 115.0418 54.4712 40.3511 175.2598 105 N 5.1557 8.3795 119.2561 51.4553 39.5132 173.1197 106 P 4.6882 0.0000 0.0000 65.8086 31.9482 177.9991 107 E 4.1164 8.5203 117.1885 56.4552 30.3835 175.9465 108 G 3.6882 8.5299 108.2098 46.3032 0.0000 172.6826 109 S 4.5353 8.4712 111.2441 57.2794 66.3898 173.9660 110 H 4.0448 8.3303 115.6623 57.2513 26.0183 174.6732 111 V 4.8849 7.3216 115.7249 59.8247 35.0939 176.1431 112 R 4.5315 8.9305 123.2154 54.4296 32.7308 174.4925 113 V 4.4001 8.4304 126.9232 62.8446 32.4423 175.1124 114 I 4.7962 8.9793 128.4214 59.4197 41.0237 175.9162 115 R 4.1883 8.4781 122.1121 56.3835 29.5297 174.8618 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 S 8.33 4.45 0.00 3.99 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 2 K 7.83 4.04 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.41 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 N 7.94 4.49 0.00 2.76 2.70 0.00 0.00 7.24 7.71 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 5 P 0.00 4.32 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.41 3.93 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 7 L 8.03 3.93 0.00 1.75 1.83 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.95 4.09 0.00 4.13 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 9 S 7.95 4.11 0.00 4.04 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 10 L 8.16 3.86 0.00 1.69 1.83 0.87 1.02 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 11 I 7.85 3.69 2.03 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 1.45 1.04 0.92 0.00 0.00 12 A 7.85 4.03 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 13 D 8.74 4.27 0.00 2.72 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 14 L 8.22 3.90 0.00 1.84 1.96 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.84 4.01 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.17 4.10 0.00 3.89 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 17 A 8.11 4.02 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 18 A 7.86 4.86 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 19 R 7.83 4.17 0.00 1.84 2.01 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 20 S 8.19 4.27 0.00 3.91 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 21 S 8.23 4.51 0.00 4.29 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 22 G 8.60 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 0.00 0.00 0.00 23 G 8.08 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 24 A 8.25 4.52 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 25 V 7.21 3.39 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 0.63 0.00 0.00 -0.33 0.00 0.00 26 W 7.68 4.80 0.00 3.35 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 27 G 8.18 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 28 D 7.85 4.31 0.00 2.98 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 29 V 8.78 3.67 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 1.04 0.00 0.00 1.13 0.00 0.00 30 A 8.20 4.01 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 0.00 0.00 31 E 8.06 3.95 0.00 2.17 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 2.33 0.00 32 R 7.72 3.92 0.00 1.81 1.94 0.00 3.48 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 33 L 7.75 3.90 0.00 1.80 1.67 0.89 0.80 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 34 E 7.99 4.16 0.00 2.14 2.03 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 2.36 2.45 0.00 35 K 7.00 4.28 0.00 2.00 1.79 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.61 7.81 36 P 0.00 4.33 0.00 2.16 1.96 0.00 3.63 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 2.11 2.12 0.00 37 R 8.69 3.43 0.00 1.78 1.90 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 38 R 7.90 4.00 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.85 4.22 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 1.22 0.00 0.00 40 H 7.69 4.29 0.00 3.26 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.22 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 42 E 8.70 4.78 0.00 1.81 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 2.20 2.28 0.00 43 V 8.60 4.40 2.10 0.00 0.00 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 0.00 0.00 0.94 0.00 0.00 44 N 8.49 5.30 0.00 2.70 2.94 0.00 0.00 7.62 6.74 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 45 L 8.70 4.12 0.00 1.83 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.92 3.73 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 0.00 0.00 0.00 47 R 7.94 3.97 0.00 1.95 2.08 0.00 3.19 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 48 I 7.57 3.78 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.80 0.96 0.00 0.00 49 E 8.23 3.92 0.00 1.96 2.10 0.00 0.00 0.00 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 2.32 0.00 50 R 7.40 3.87 0.00 1.64 1.27 0.00 2.38 0.00 0.00 2.94 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.31 0.00 51 Y 7.30 4.81 0.00 3.03 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 52 A 7.96 4.62 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 53 Q 8.11 4.60 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 54 E 8.76 4.11 0.00 1.98 1.95 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 2.51 2.36 0.00 55 D 8.83 4.38 0.00 2.82 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 56 E 7.78 4.64 0.00 2.01 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 2.23 2.30 0.00 57 T 8.51 4.19 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 1.36 0.00 0.00 58 V 8.96 4.29 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.17 4.76 2.10 0.00 0.00 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 1.09 0.00 0.00 60 V 9.16 4.78 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 1.07 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.70 0.00 2.24 2.23 0.00 3.96 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 62 G 6.56 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 0.00 0.00 0.00 0.00 63 K 9.18 5.06 0.00 1.71 1.57 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.33 7.81 64 V 8.38 4.75 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 1.08 0.00 0.00 0.83 0.00 0.00 65 L 9.47 4.91 0.00 1.76 1.56 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.44 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 0.00 0.00 0.00 0.00 67 S 8.15 4.49 0.00 3.95 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 68 G 8.95 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 69 V 7.94 4.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.52 4.84 0.00 1.60 1.52 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.22 4.52 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.14 4.05 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.80 7.81 73 D 8.53 5.53 0.00 2.81 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 74 V 7.63 4.45 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 0.79 0.00 0.00 1.01 0.00 0.00 75 T 8.34 4.88 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 76 V 8.72 4.80 2.32 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 1.08 0.00 0.00 1.02 0.00 0.00 77 A 10.02 5.94 1.40 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 0.00 0.00 78 A 8.35 5.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.31 3.57 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.88 0.00 0.00 80 D 7.10 4.57 0.00 2.76 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 0.00 0.00 0.00 0.00 81 F 8.84 5.47 0.00 2.84 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 82 S 9.00 4.39 0.00 3.95 4.04 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 83 G 8.90 3.69 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 0.00 0.00 0.00 84 T 7.91 3.90 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 85 A 7.97 4.02 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.31 3.62 0.00 1.92 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 2.16 2.00 0.00 87 T 7.28 3.92 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 1.20 0.00 0.00 88 K 8.09 4.41 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 89 I 7.97 3.72 1.86 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.88 0.00 0.00 90 D 7.51 4.64 0.00 2.63 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 91 Q 7.96 4.21 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 92 V 7.56 4.58 2.21 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 0.81 0.00 0.00 0.98 0.00 0.00 93 G 8.14 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 0.00 0.00 0.00 0.00 94 E 9.52 5.13 0.00 2.01 1.74 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 2.17 2.23 0.00 95 A 8.79 4.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.12 4.63 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 1.04 0.00 0.00 0.95 0.00 0.00 97 S 8.62 5.11 0.00 4.19 4.04 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 98 L 8.10 3.91 0.00 1.72 1.61 0.98 0.94 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 99 E 8.05 3.83 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 2.35 2.38 0.00 100 Q 7.90 4.02 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 7.99 4.04 1.40 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 0.00 0.00 102 I 7.27 3.03 1.53 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.02 0.58 0.00 0.00 103 E 7.35 4.07 0.00 1.98 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 0.00 2.31 2.32 0.00 104 N 8.37 4.66 0.00 2.76 2.89 0.00 0.00 6.76 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 0.00 105 N 8.38 5.16 0.00 2.88 3.02 0.00 0.00 6.76 7.26 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 0.00 106 P 0.00 4.69 0.00 2.30 2.30 0.00 3.89 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 2.06 2.05 0.00 107 E 8.52 4.12 0.00 2.15 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 2.42 2.40 0.00 108 G 8.53 3.69 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 0.00 0.00 0.00 109 S 8.47 4.54 0.00 3.88 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 0.00 110 H 8.33 4.04 0.00 3.33 3.34 0.00 5.56 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 0.00 111 V 7.32 4.88 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 0.44 0.00 0.00 0.80 0.00 0.00 112 R 8.93 4.53 0.00 2.11 1.80 0.00 3.13 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 113 V 8.43 4.40 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 0.82 0.00 0.00 0.87 0.00 0.00 114 I 8.98 4.80 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.00 1.00 0.00 0.00 115 R 8.48 4.19 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00