NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3081 8.3044 120.3256 55.6108 32.2280 174.5589 2 H 4.5617 8.6309 124.5027 53.7925 30.5403 171.6144 3 L 4.6590 7.9511 127.9960 52.6885 43.8699 177.2103 4 T 3.9510 8.7979 115.6017 61.0871 70.4973 173.3262 5 P 4.2683 0.0000 0.0000 65.5786 31.1867 178.9869 6 E 3.9800 7.9942 117.1377 59.3951 29.5782 178.7317 7 E 3.8960 8.0030 118.5241 59.1498 29.4822 179.3354 8 K 3.8037 7.9819 119.6075 59.6197 32.2215 179.0294 9 S 4.0926 7.7118 115.2279 61.5546 62.8815 176.4484 10 A 4.0141 8.1291 123.5243 55.1975 18.0740 179.9044 11 V 3.4786 7.9332 116.7304 66.3609 31.6507 178.4393 12 T 3.9244 7.9886 115.2015 66.6005 68.1141 176.4715 13 A 4.0366 8.1493 121.6480 55.2515 18.7377 179.1785 14 L 3.8730 7.9541 118.3797 57.9504 42.1719 178.9141 15 W 4.3290 8.6705 128.5657 60.3112 30.4116 178.0435 16 G 3.7956 8.0928 104.2438 46.6170 0.0000 174.1537 17 K 4.4319 7.6584 118.4318 56.1215 32.8105 176.4671 18 V 3.7831 7.2280 120.0035 61.9144 32.2641 175.8367 19 N 4.5357 8.1310 125.2536 51.8226 38.7832 175.2819 20 V 3.4939 8.0742 127.5381 66.2703 31.6337 176.7424 21 D 4.6287 8.2355 117.6074 57.7314 40.7362 178.5661 22 E 3.8229 7.9317 117.6711 59.4065 29.6513 179.1812 23 V 3.5956 8.2151 118.8399 65.6608 31.4432 178.2078 24 G 3.6969 8.9921 106.8816 47.8964 0.0000 175.9821 25 G 3.5810 7.9875 108.6152 47.3269 0.0000 175.7135 26 E 3.9396 8.1380 120.5523 58.9752 29.4856 179.3005 27 A 3.9103 8.2051 121.0506 55.1745 18.4159 179.4089 28 L 4.0110 8.2386 119.3483 58.1970 42.1332 179.4812 29 G 3.5361 8.1985 105.6618 47.9176 0.0000 176.0027 30 R 3.8944 8.0989 120.8373 58.4867 29.9305 178.6628 31 L 3.9797 7.9090 120.2888 58.5298 41.7720 179.3070 32 L 3.9388 7.7070 118.3894 57.1982 41.1973 179.6317 33 V 3.6514 7.0949 117.0108 65.5805 31.8583 177.9886 34 V 3.5089 7.8813 116.8174 64.3860 32.7989 175.5794 35 Y 3.8284 7.4054 116.3074 53.7791 37.9956 173.9290 36 P 4.4693 0.0000 0.0000 64.5599 31.5055 178.4186 37 W 4.3616 7.7468 116.1706 59.2278 28.2276 177.7185 38 T 4.2586 7.5851 110.3811 63.8379 68.1103 175.8284 39 Q 4.5113 8.2088 121.4070 57.7574 28.5131 177.9001 40 R 3.7214 7.6287 117.2903 59.0717 29.2188 177.9979 41 F 4.2733 7.0972 114.4991 57.5783 39.6569 175.7009 42 F 4.5850 7.9192 118.7980 56.4774 39.4030 177.2805 43 E 4.0183 8.3771 122.4418 59.6021 29.5395 179.4324 44 S 4.5346 7.9676 110.5260 59.6140 63.5250 174.9767 45 F 4.5917 8.1632 120.3374 58.9354 39.7534 175.3878 46 G 4.0289 7.4745 104.2384 44.1717 0.0000 173.4595 47 D 4.5993 8.7107 124.0777 53.9850 41.5966 176.2713 48 L 4.8883 8.3594 126.4925 54.4986 42.8194 177.9515 49 S 4.3258 8.3079 116.1557 60.4380 63.4482 174.8193 50 T 4.7294 7.4854 110.8134 58.1855 72.8892 172.5444 51 P 4.2030 0.0000 0.0000 66.5540 31.1062 178.4004 52 D 4.3098 8.0600 117.8118 56.8491 40.5720 178.3979 53 A 3.9660 7.7303 120.1461 55.1118 18.6842 179.6223 54 V 3.6664 8.1329 117.0102 66.6306 31.4967 178.2086 55 M 4.1735 8.3445 117.6011 57.7098 31.8752 178.0634 56 G 3.9394 7.6590 102.8843 43.4669 0.0000 173.2738 57 N 4.4940 7.5640 121.6321 52.7802 39.7124 174.1684 58 P 4.2962 0.0000 0.0000 65.1958 31.4823 178.9960 59 K 3.6527 7.8464 117.3042 59.0637 31.8815 179.3295 60 V 3.6028 7.8911 118.5552 65.7997 31.4831 178.3016 61 K 3.9098 7.9848 117.9887 59.4084 31.9271 179.2237 62 A 3.9700 8.2893 121.4427 55.4021 18.2014 179.1817 63 H 4.3021 8.4466 117.0255 59.3660 29.9989 177.6199 64 G 3.6606 8.2613 107.5793 47.7507 0.0000 175.8158 65 K 4.0196 7.8342 120.1647 59.0696 32.1954 179.3308 66 K 3.9267 7.9568 119.8550 59.4809 32.1819 178.9018 67 V 3.6204 7.9625 118.6887 66.1415 31.4813 177.7628 68 L 4.4311 8.2476 119.4918 57.2995 41.9099 179.0945 69 G 3.6836 8.1300 106.0077 47.9900 0.0000 175.6507 70 A 4.1129 7.8101 121.9662 54.5753 18.7634 179.0299 71 F 4.1678 8.4573 119.2633 61.6689 39.3278 176.9695 72 S 4.0387 8.7392 112.8629 61.9605 62.3010 176.1228 73 D 4.4652 8.2022 121.2534 57.2759 40.5151 179.0486 74 G 3.5349 7.9333 106.2027 47.5509 0.0000 175.6855 75 L 3.9673 7.1233 120.1681 57.3237 41.5702 178.9701 76 A 4.0945 7.4513 119.0055 53.6825 19.3908 176.8892 77 H 4.8663 8.3231 115.1182 54.8696 29.5362 175.2120 78 L 4.0354 7.8383 119.0714 57.3361 41.9891 178.8402 79 D 4.5060 7.9029 117.1478 56.2250 41.8936 176.3968 80 N 5.0157 8.0929 117.5562 51.4106 39.7822 174.5918 81 L 4.0653 7.8993 123.2868 57.6207 42.4562 179.1009 82 K 4.0210 8.1531 118.1066 59.6791 31.8501 179.4524 83 G 3.5820 7.9153 103.9461 48.1008 0.0000 175.5330 84 T 3.7897 7.6923 117.2044 65.6288 68.6297 175.8355 85 F 4.6772 8.4791 117.2657 56.9234 39.3559 177.2595 86 A 4.0754 7.7552 122.1994 55.9894 18.1764 180.1947 87 T 3.8674 7.8716 113.2112 66.8366 68.5319 176.8712 88 L 4.1488 7.9758 120.4290 57.5147 41.8060 179.3541 89 S 4.3996 8.3436 115.0152 61.1385 62.3608 176.1644 90 E 3.9479 8.3261 121.2449 59.0283 29.0317 179.1429 91 L 3.8948 8.0355 120.4630 58.6226 42.2243 178.7526 92 H 4.0790 8.6313 116.5039 59.2191 28.7598 177.0152 93 C 3.6361 7.6746 120.1815 62.2275 31.1229 175.3551 94 D 4.3956 8.3315 121.1690 56.3153 40.5945 177.5760 95 K 4.2663 7.6426 116.6485 57.9537 33.4214 177.5945 96 L 4.1130 7.9070 117.0243 55.3272 42.0801 176.4753 97 H 4.1566 7.2697 113.2045 56.7445 26.3252 175.2266 98 V 3.9433 7.9007 119.1469 61.0698 32.1584 174.8163 99 D 4.3592 8.8680 127.4431 53.8188 41.5627 175.0912 100 P 3.1263 0.0000 0.0000 64.7337 31.7680 177.9665 101 E 3.8831 8.1841 118.9863 59.1609 29.2382 178.3288 102 N 4.2886 8.0805 116.8449 56.2842 38.4584 177.2738 103 F 4.4719 7.4262 119.2680 60.4989 38.9406 178.0079 104 R 3.9807 7.8098 117.4042 59.0825 30.0095 178.8506 105 L 3.8247 7.8051 118.7954 57.7509 41.5848 179.3370 106 L 4.1176 8.3343 120.6995 57.9943 42.0888 179.1554 107 G 3.6780 8.1593 105.7447 48.0677 0.0000 175.4782 108 N 4.4722 8.2638 119.2159 55.8399 38.4432 177.7802 109 V 3.6318 7.9960 119.8105 65.7062 31.6139 177.6662 110 L 3.8572 8.2650 120.5459 58.3414 41.9359 178.9594 111 V 3.5906 7.6810 117.6900 66.4648 31.3772 177.7859 112 C 4.1041 7.8507 115.7642 62.8037 27.9650 176.2775 113 V 3.5529 7.9347 120.1326 65.8783 30.9975 178.1439 114 L 3.9312 7.8541 118.6585 57.4913 41.3663 179.3240 115 A 3.6655 7.1729 120.7188 55.1063 18.0732 179.0550 116 H 4.0546 7.9040 115.7166 59.6887 29.9975 176.7560 117 H 3.9738 7.7441 118.4449 59.0703 30.1006 176.7038 118 F 4.4741 8.3913 118.2843 56.8054 39.5341 177.3126 119 G 3.8373 8.7464 108.5279 45.9843 0.0000 177.4412 120 K 4.0568 8.9103 122.4203 59.4562 32.3118 177.9899 121 E 4.1184 8.0077 117.8871 58.4957 29.9150 177.4397 122 F 4.4511 8.0572 123.5534 57.0511 37.8643 175.2716 123 T 4.2166 7.3012 115.4832 60.1168 71.3836 173.5581 124 P 4.1747 0.0000 0.0000 65.7444 31.2559 177.1571 125 P 4.1873 0.0000 0.0000 65.3986 31.1967 178.9526 126 V 3.5291 7.2736 117.1918 65.7232 31.4213 177.8221 127 Q 3.5910 7.8884 119.4643 59.0802 28.8903 177.9989 128 A 4.0020 8.1965 121.7693 55.2698 18.3382 179.5096 129 A 3.8688 7.7912 118.7300 55.6533 18.5037 179.5895 130 Y 3.8679 8.2308 115.2466 60.9908 37.9649 178.6743 131 Q 4.1293 8.8522 119.6205 59.0301 28.8451 178.9737 132 K 4.0099 8.0997 119.5141 59.2572 32.0268 179.7158 133 V 3.4665 7.6731 118.5474 66.1889 31.4478 178.5984 134 V 3.8312 8.4556 112.3656 64.3443 31.2473 178.4881 135 A 4.1106 8.1414 120.6739 55.0290 18.1321 179.9150 136 G 3.5050 8.0745 104.3325 47.8333 0.0000 176.2080 137 V 3.2775 7.8959 120.4819 65.5259 31.7017 177.9055 138 A 3.8970 8.1861 120.8376 55.2541 18.0818 179.3393 139 N 4.2683 8.4754 114.9859 56.4610 38.4310 177.4013 140 A 4.0310 7.9328 121.0678 55.3513 18.8578 179.4918 141 L 3.9411 7.9603 116.8246 56.9432 41.5722 178.6945 142 A 4.4664 7.7710 119.2837 53.1487 18.9270 178.3542 143 H 4.1083 7.8550 116.7638 59.0057 29.9102 175.7709 144 K 4.4332 7.9798 116.7128 56.3671 32.1816 176.5024 145 Y 4.1487 8.0159 117.9646 58.4589 38.4253 175.6684 146 H 4.4164 8.3121 117.4695 56.2714 28.1056 173.4282 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 M 8.30 4.31 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 2 H 8.63 4.56 0.00 3.11 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.95 4.66 0.00 1.56 1.48 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.80 3.95 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 1.18 0.00 0.00 5 P 0.00 4.27 0.00 2.16 2.13 0.00 3.57 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 2.10 2.17 0.00 6 E 7.99 3.98 0.00 2.02 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 2.38 2.44 0.00 7 E 8.00 3.90 0.00 2.09 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 2.28 2.26 0.00 8 K 7.98 3.80 0.00 1.94 1.76 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 9 S 7.71 4.09 0.00 3.94 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 10 A 8.13 4.01 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 11 V 7.93 3.48 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 0.64 0.00 0.00 0.38 0.00 0.00 12 T 7.99 3.92 4.50 0.00 0.00 0.00 0.00 0.00 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 13 A 8.15 4.04 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 14 L 7.95 3.87 0.00 1.93 1.88 0.31 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.67 4.33 0.00 3.92 3.26 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 16 G 8.09 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.66 4.43 0.00 2.11 2.10 0.00 1.96 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.40 7.81 18 V 7.23 3.78 1.13 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 0.79 0.00 0.00 19 N 8.13 4.54 0.00 2.69 2.57 0.00 0.00 6.81 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 20 V 8.07 3.49 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 1.12 0.00 0.00 1.09 0.00 0.00 21 D 8.24 4.63 0.00 2.98 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 22 E 7.93 3.82 0.00 2.00 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 0.00 2.19 2.22 0.00 23 V 8.22 3.60 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 0.98 0.00 0.00 0.74 0.00 0.00 24 G 8.99 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 25 G 7.99 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 E 8.14 3.94 0.00 2.21 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 2.27 2.40 0.00 27 A 8.21 3.91 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 28 L 8.24 4.01 0.00 1.75 1.65 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.20 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.10 3.89 0.00 1.91 1.93 0.00 3.09 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 31 L 7.91 3.98 0.00 1.90 1.90 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.71 3.94 0.00 1.93 1.68 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.09 3.65 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 34 V 7.88 3.51 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 0.04 0.00 0.00 0.75 0.00 0.00 35 Y 7.41 3.83 0.00 2.51 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 36 P 0.00 4.47 0.00 2.31 2.30 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 37 W 7.75 4.36 0.00 3.58 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.59 4.26 4.42 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 1.10 0.00 0.00 39 Q 8.21 4.51 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 40 R 7.63 3.72 0.00 1.61 1.96 0.00 2.97 0.00 0.00 2.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 41 F 7.10 4.27 0.00 1.67 2.36 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 42 F 7.92 4.58 0.00 2.71 1.71 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 43 E 8.38 4.02 0.00 2.00 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 2.22 0.00 44 S 7.97 4.53 0.00 4.10 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 45 F 8.16 4.59 0.00 3.17 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 46 G 7.47 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.71 4.60 0.00 2.66 2.61 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 48 L 8.36 4.89 0.00 1.67 1.63 1.07 1.03 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 49 S 8.31 4.33 0.00 3.99 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 0.00 50 T 7.49 4.73 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 51 P 0.00 4.20 0.00 2.25 2.32 0.00 3.68 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 2.05 2.04 0.00 52 D 8.06 4.31 0.00 2.70 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 53 A 7.73 3.97 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 54 V 8.13 3.67 2.20 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 1.05 0.00 0.00 0.99 0.00 0.00 55 M 8.34 4.17 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.92 0.00 56 G 7.66 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.56 4.49 0.00 3.00 2.85 0.00 0.00 7.16 7.80 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 58 P 0.00 4.30 0.00 2.12 2.02 0.00 3.58 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 59 K 7.85 3.65 0.00 1.44 0.74 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.12 1.22 7.81 60 V 7.89 3.60 2.20 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 1.00 0.00 0.00 1.11 0.00 0.00 61 K 7.98 3.91 0.00 1.96 1.80 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 62 A 8.29 3.97 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 63 H 8.45 4.30 0.00 3.52 3.44 0.00 5.80 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 64 G 8.26 3.66 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 0.00 0.00 0.00 65 K 7.83 4.02 0.00 2.12 1.89 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.62 7.81 66 K 7.96 3.93 0.00 2.04 1.88 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.51 7.81 67 V 7.96 3.62 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 1.00 0.00 0.00 0.90 0.00 0.00 68 L 8.25 4.43 0.00 2.10 1.80 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.13 3.68 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 0.00 0.00 0.00 70 A 7.81 4.11 1.52 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 0.00 0.00 71 F 8.46 4.17 0.00 3.24 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 72 S 8.74 4.04 0.00 4.59 4.34 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 73 D 8.20 4.47 0.00 2.90 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 74 G 7.93 3.53 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 0.00 75 L 7.12 3.97 0.00 1.48 1.48 -0.40 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.45 4.09 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 77 H 8.32 4.87 0.00 3.03 3.15 0.00 5.82 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 78 L 7.84 4.04 0.00 1.55 1.66 0.77 0.98 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 79 D 7.90 4.51 0.00 2.64 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 80 N 8.09 5.02 0.00 2.72 2.59 0.00 0.00 7.03 6.22 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 81 L 7.90 4.07 0.00 1.76 1.84 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.15 4.02 0.00 1.76 1.83 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.38 1.47 7.81 83 G 7.92 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 84 T 7.69 3.79 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 0.45 0.00 0.00 85 F 8.48 4.68 0.00 3.09 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 86 A 7.76 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.87 3.87 4.25 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 1.22 0.00 0.00 88 L 7.98 4.15 0.00 2.02 1.85 1.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.34 4.40 0.00 4.05 4.13 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 90 E 8.33 3.95 0.00 2.06 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 2.34 2.58 0.00 91 L 8.04 3.89 0.00 1.87 1.87 0.91 0.82 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 92 H 8.63 4.08 0.00 3.71 3.84 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.67 3.64 0.00 1.23 2.46 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 0.00 0.00 0.00 94 D 8.33 4.40 0.00 2.72 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 95 K 7.64 4.27 0.00 1.83 1.79 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.36 7.81 96 L 7.91 4.11 0.00 1.70 1.63 0.73 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.27 4.16 0.00 3.54 3.46 0.00 5.64 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.90 3.94 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 0.14 0.00 0.00 0.44 0.00 0.00 99 D 8.87 4.36 0.00 2.86 2.61 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 0.00 100 P 0.00 3.13 0.00 1.90 1.79 0.00 3.38 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 1.31 0.44 0.00 101 E 8.18 3.88 0.00 2.13 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 2.29 2.39 0.00 102 N 8.08 4.29 0.00 2.38 2.72 0.00 0.00 6.92 8.91 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 0.00 103 F 7.43 4.47 0.00 3.07 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 0.00 104 R 7.81 3.98 0.00 2.01 1.97 0.00 3.28 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 105 L 7.81 3.82 0.00 1.75 1.44 0.77 -0.03 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 0.00 106 L 8.33 4.12 0.00 1.80 1.80 0.94 1.30 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 0.00 107 G 8.16 3.68 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 0.00 0.00 0.00 108 N 8.26 4.47 0.00 2.94 2.95 0.00 0.00 6.70 7.78 0.00 0.00 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 V 8.00 3.63 2.14 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 1.15 0.00 0.00 1.11 0.00 0.00 110 L 8.26 3.86 0.00 1.74 1.84 0.91 0.17 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 0.00 111 V 7.68 3.59 2.34 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 1.27 0.00 0.00 1.24 0.00 0.00 112 C 7.85 4.10 0.00 3.20 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 0.00 113 V 7.93 3.55 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 0.95 0.00 0.00 0.93 0.00 0.00 114 L 7.85 3.93 0.00 0.83 1.26 0.67 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.17 3.67 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 0.00 116 H 7.90 4.05 0.00 3.17 3.45 0.00 5.78 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 0.00 117 H 7.74 3.97 0.00 2.96 2.79 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.39 4.47 0.00 3.31 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 0.00 119 G 8.75 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 0.00 0.00 0.00 120 K 8.91 4.06 0.00 1.91 2.01 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.52 7.81 121 E 8.01 4.12 0.00 2.12 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 2.41 2.33 0.00 122 F 8.06 4.45 0.00 3.05 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 0.00 123 T 7.30 4.22 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 1.31 0.00 0.00 124 P 0.00 4.17 0.00 2.15 2.16 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 125 P 0.00 4.19 0.00 2.11 2.06 0.00 3.47 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 2.08 2.11 0.00 126 V 7.27 3.53 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 0.88 0.00 0.00 0.86 0.00 0.00 127 Q 7.89 3.59 0.00 1.80 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 128 A 8.20 4.00 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 0.00 129 A 7.79 3.87 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 0.00 130 Y 8.23 3.87 0.00 3.29 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 0.00 131 Q 8.85 4.13 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 132 K 8.10 4.01 0.00 1.93 1.83 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.65 7.81 133 V 7.67 3.47 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 0.87 0.00 0.00 0.73 0.00 0.00 134 V 8.46 3.83 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 1.01 0.00 0.00 1.13 0.00 0.00 135 A 8.14 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.07 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.28 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 0.52 0.00 0.00 0.64 0.00 0.00 138 A 8.19 3.90 1.42 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 0.00 0.00 139 N 8.48 4.27 0.00 2.92 2.89 0.00 0.00 6.94 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.93 4.03 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 0.00 141 L 7.96 3.94 0.00 1.17 0.79 -0.04 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.77 4.47 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 0.00 143 H 7.86 4.11 0.00 3.31 3.50 0.00 5.75 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 0.00 144 K 7.98 4.43 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.79 7.81 145 Y 8.02 4.15 0.00 3.12 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 0.00 146 H 8.31 4.42 0.00 3.23 3.25 0.00 5.75 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