NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6182 8.0544 120.3565 62.4906 32.4618 174.8212 2 E 4.0396 8.1707 127.4102 54.0235 29.1147 173.9358 3 W 4.8704 8.2603 127.2135 56.4028 31.2591 176.9159 4 T 4.5537 9.0696 113.7211 60.8860 71.1089 175.9265 5 D 4.4371 8.6010 121.0958 57.3414 40.7505 178.8286 6 F 4.1329 8.2854 120.8871 61.2669 39.5100 176.8948 7 E 3.8909 8.3226 117.7846 59.4345 29.4067 179.4959 8 R 3.6477 7.9729 117.7965 59.0983 30.0649 178.9956 9 A 3.8558 8.0356 120.5372 55.4568 18.3178 179.6994 10 T 3.5095 7.7070 114.5687 66.7404 68.4525 176.8832 11 I 3.6555 7.5362 121.5004 64.1744 37.0574 178.4060 12 K 3.8958 7.7470 120.2653 59.3896 31.7885 178.1406 13 D 4.2614 8.0110 117.3771 57.5047 41.5142 177.8951 14 I 3.4813 7.7493 120.2140 64.6486 36.8972 178.5047 15 F 4.2751 8.3626 118.5075 60.5863 38.5325 177.9720 16 S 4.2220 8.3234 113.1512 60.8065 62.9515 175.3345 17 K 4.3346 7.8223 119.5522 56.9699 32.5487 176.8394 18 L 4.1602 7.4856 119.9368 54.1934 42.2497 176.6402 19 E 4.3818 8.5925 124.6004 54.7661 28.9019 175.5945 20 Y 4.3096 9.0093 125.2145 61.3116 38.0882 178.4246 21 D 4.9578 8.1607 114.4897 53.1268 39.9586 175.8377 22 V 4.1746 7.6494 118.1532 64.7092 33.6515 177.7598 23 V 3.6429 8.3815 119.4976 65.7672 31.2613 177.9456 24 G 3.6225 8.2438 105.5737 47.5277 0.0000 173.6919 25 P 4.2218 0.0000 0.0000 64.9130 31.4331 178.5300 26 A 3.9449 7.9265 119.4261 55.4109 18.2585 179.8670 27 T 3.7841 8.1182 114.3364 66.7477 68.5169 176.7681 28 L 3.9377 7.9300 121.9832 58.0470 42.0050 178.7199 29 A 3.9251 8.1853 120.9590 55.1735 18.3031 179.6039 30 R 3.7626 8.0804 117.1625 59.6612 30.0809 178.2949 31 C 4.2113 8.2192 118.5181 62.5720 31.4609 175.6018 32 L 4.0060 8.2153 122.0213 56.6090 40.8560 179.5966 33 V 3.6220 7.0869 117.4516 65.6762 31.8276 178.0148 34 V 3.4988 7.7989 116.8673 64.4956 32.7744 175.6035 35 Y 3.6825 7.4984 115.7967 53.6830 38.0435 173.7147 36 P 4.4907 0.0000 0.0000 64.4974 31.9149 177.6913 37 W 4.3584 7.8983 114.7009 59.0778 27.5382 177.7132 38 T 4.3339 7.8074 110.6177 63.8730 68.2952 176.0685 39 Q 4.0279 8.3161 121.3873 57.9634 28.4794 177.6605 40 R 3.6096 7.3481 119.6762 59.3819 29.9431 176.8418 41 Y 4.2655 6.3796 112.5259 57.5665 38.6299 175.7810 42 F 4.4975 7.6805 120.2532 56.5129 39.9568 178.0675 43 G 3.6785 8.1634 111.8555 48.5797 0.0000 176.0879 44 K 4.4374 7.9813 116.7918 57.7105 32.3762 177.7175 45 F 4.5607 8.3790 117.7043 58.6160 40.1682 176.2924 46 G 3.9406 7.3896 106.0081 44.7029 0.0000 176.0827 47 N 3.4225 8.5053 127.7574 52.9845 37.9514 173.8441 48 L 4.7263 6.8833 126.1507 54.7139 43.1060 178.1214 49 Y 4.4833 7.8048 117.4086 59.7533 38.2212 175.7688 50 N 4.7267 7.6906 116.8819 50.5039 41.5966 174.9603 51 A 3.9293 8.5819 123.0401 55.5091 18.3234 179.8648 52 A 3.8863 8.0507 118.1487 55.3502 18.3327 179.5439 53 A 3.9164 8.4849 118.2562 55.3276 18.8544 179.5811 54 I 3.7424 7.9437 118.1481 64.5487 36.9714 178.5996 55 A 4.0206 7.9629 120.4227 54.8391 18.2904 178.9068 56 Q 4.3492 7.6887 114.2115 55.6713 29.4378 175.5872 57 N 4.3840 7.6032 119.9359 52.7947 39.0806 175.3701 58 A 3.9771 8.5397 128.8017 55.4522 18.4804 178.9602 59 M 3.5958 7.8068 116.8864 58.0350 31.8242 178.9908 60 V 3.6361 7.9064 118.5090 66.0235 31.7590 178.1944 61 S 4.0558 7.8296 114.7742 61.4728 62.6925 176.5266 62 K 3.8576 8.1218 122.4033 59.9946 31.8823 178.3071 63 H 4.4319 8.4633 118.5431 59.0840 29.7812 177.4335 64 G 3.5745 8.4087 108.0087 48.0730 0.0000 175.8637 65 T 3.9677 8.0222 118.1096 66.5803 68.4533 176.9151 66 T 3.9794 7.8531 117.7049 66.6839 68.2800 176.6664 67 I 3.6914 7.5960 120.3974 64.3678 37.4863 177.9385 68 L 4.0142 7.9018 121.0587 58.2667 41.9964 178.7767 69 N 4.8665 8.6333 116.7234 56.1841 38.2702 177.2827 70 G 3.8685 7.9908 105.7641 46.7037 0.0000 174.8654 71 L 4.8428 7.8576 122.0045 55.7533 41.8618 178.4200 72 D 4.3834 8.0464 119.5890 57.4023 40.4521 178.8868 73 R 3.8471 8.0045 115.7319 59.0183 29.1225 178.7080 74 A 4.0600 7.7426 120.5000 54.9463 18.7017 179.2065 75 V 3.3996 7.5318 115.8212 65.8816 31.5893 177.8754 76 K 4.2307 7.9799 118.6951 58.0686 33.2718 176.2728 77 N 4.8447 7.7250 116.4153 51.6155 39.0708 174.1500 78 M 4.3294 8.2541 121.7257 56.9138 32.3732 176.9127 79 D 5.0197 8.0175 117.1406 54.5145 41.5567 175.9942 80 D 4.9193 8.0248 119.1323 53.0660 42.2444 177.5442 81 I 3.7675 8.2264 120.7797 64.1982 36.8774 177.6689 82 T 3.9675 7.7766 116.5356 66.3015 68.8284 175.8567 83 N 4.4867 8.1048 117.6416 56.7604 38.4366 177.4713 84 T 3.7884 7.7578 115.9645 66.0981 68.8727 175.2245 85 Y 4.6137 7.7480 116.0435 57.5402 38.2515 177.1457 86 A 4.0236 7.6679 123.6184 55.4776 18.5032 179.7151 87 E 3.8874 8.1265 117.0714 59.3842 29.8093 178.6025 88 L 4.0520 7.9571 119.9462 58.0059 42.1991 178.7605 89 S 4.3564 8.4477 115.1636 60.8292 62.3288 176.2884 90 V 3.4595 7.8336 121.0300 65.6627 31.1767 177.6675 91 L 3.8703 8.0382 120.0752 58.6987 41.9259 178.7746 92 H 4.1142 8.3759 116.0264 59.0173 28.4583 177.5131 93 S 3.6020 7.8127 115.1945 61.0781 61.9500 175.9371 94 E 3.9692 8.4003 121.8081 57.9294 29.4811 177.8189 95 K 4.1796 7.6158 118.1765 58.0136 33.1979 177.2540 96 L 4.0951 7.8278 116.7659 55.2951 42.2140 176.4172 97 H 4.3955 7.7011 113.4852 55.6014 26.0236 174.8276 98 V 3.4719 7.9299 118.2701 61.0576 32.8005 174.7036 99 D 4.3553 8.9050 127.6669 53.4220 41.4549 175.1923 100 P 3.1802 0.0000 0.0000 65.2837 31.1058 177.8112 101 D 4.2710 8.2178 118.0972 57.1542 40.9471 177.7442 102 N 4.3957 8.0060 117.0321 55.9784 38.3140 177.2741 103 F 4.4401 7.5350 119.6288 60.3789 38.9733 177.4978 104 K 3.9522 7.9928 118.8511 59.4942 32.0058 178.9155 105 L 3.7701 7.7423 118.8230 57.5234 41.4405 179.0815 106 L 4.0191 8.3036 120.3624 58.1253 42.0538 178.8040 107 A 4.0741 8.3306 120.9358 55.3493 18.2710 179.3781 108 D 4.4379 8.3420 117.3570 57.8364 40.8390 178.8289 109 C 4.2581 8.3421 117.3200 62.5712 28.0988 175.8931 110 L 3.9859 8.4128 122.3699 58.5534 41.6697 179.1146 111 T 3.9790 8.3548 115.7158 66.7834 68.3960 176.6756 112 I 3.6418 7.7561 121.6885 64.2952 37.1572 178.7044 113 V 3.4571 7.9858 119.3987 65.9112 31.3565 178.2639 114 V 3.2885 7.9856 118.1796 65.6614 31.2324 177.7617 115 A 3.1753 7.4803 120.3849 54.9330 17.9474 179.5159 116 A 3.8538 7.5129 118.0544 55.1086 18.4538 179.5752 117 R 3.6456 7.5004 116.4828 58.9364 30.5780 177.9558 118 F 4.7027 8.1917 115.7266 55.7867 39.9889 177.4832 119 G 3.8855 8.7983 108.2951 46.2446 0.0000 177.1592 120 S 4.1250 9.1075 119.0558 61.2614 62.5955 175.3293 121 A 4.1511 7.8657 121.5900 54.3498 18.5651 177.9943 122 F 4.4780 7.9839 120.4275 57.1788 37.8422 175.0383 123 T 4.3215 7.4356 116.6182 60.5961 71.4302 175.5485 124 G 3.6432 8.4504 106.9735 47.9245 0.0000 175.6645 125 E 4.0032 8.0308 120.3917 59.2241 29.4903 179.4487 126 V 3.6028 7.6714 117.9357 65.8967 31.4980 177.8248 127 Q 3.5546 8.0130 119.4991 58.9009 28.8567 178.0653 128 A 4.0505 8.3766 121.9267 55.2411 18.4750 179.5312 129 A 4.1603 8.1281 119.1664 55.2599 18.4005 179.6395 130 F 4.2562 8.7234 119.5909 61.7979 39.4871 177.4776 131 Q 4.0611 8.8481 118.1218 58.6241 28.5363 178.6547 132 K 4.0230 8.3593 120.9214 59.4091 32.3014 178.6509 133 F 4.5008 8.5818 120.8920 61.8916 39.3337 177.0474 134 M 3.7398 8.3065 118.3112 58.1445 31.5998 178.6446 135 A 3.9840 8.3311 121.4213 55.0496 18.4387 179.9091 136 V 3.5046 7.6898 116.3988 65.9127 31.5294 178.4765 137 V 3.2609 7.3548 118.0252 65.8721 31.1081 178.1135 138 V 3.3508 7.6062 116.9391 65.9380 31.4893 177.5800 139 S 4.2029 8.1267 112.8244 61.5486 62.2932 176.2687 140 S 4.1475 8.1681 117.9635 61.7221 62.3831 176.8057 141 L 4.0418 8.1337 121.8664 56.6645 40.7413 178.6718 142 G 4.2175 7.6723 103.8294 44.5409 0.0000 175.3172 143 K 4.1121 7.7589 122.0803 59.0986 32.2237 177.1243 144 Q 4.4473 8.1121 116.2681 55.9008 28.6381 174.9421 145 Y 4.1611 7.8555 117.0428 57.6827 38.1226 176.0280 146 R 4.2675 8.4145 123.1699 56.3818 31.1165 175.2566 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 3.62 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 -0.07 0.00 0.00 0.66 0.00 0.00 2 E 8.17 4.04 0.00 1.94 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 2.22 2.46 0.00 3 W 8.26 4.87 0.00 3.36 3.10 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 0.00 0.00 0.00 4 T 9.07 4.55 4.37 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 1.31 0.00 0.00 5 D 8.60 4.44 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 4.13 0.00 3.16 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 7 E 8.32 3.89 0.00 2.53 2.25 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 2.61 2.67 0.00 8 R 7.97 3.65 0.00 1.98 1.87 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.87 0.00 9 A 8.04 3.86 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 10 T 7.71 3.51 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 1.00 0.00 0.00 11 I 7.54 3.66 1.46 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.01 0.00 0.00 12 K 7.75 3.90 0.00 1.80 1.86 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.46 7.81 13 D 8.01 4.26 0.00 2.65 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 14 I 7.75 3.48 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.58 0.48 0.00 0.00 15 F 8.36 4.28 0.00 3.24 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 16 S 8.32 4.22 0.00 4.05 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 17 K 7.82 4.33 0.00 2.24 2.15 0.00 1.85 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 18 L 7.49 4.16 0.00 1.97 1.75 0.56 0.74 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 19 E 8.59 4.38 0.00 2.00 1.87 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 2.56 2.32 0.00 20 Y 9.01 4.31 0.00 3.05 3.04 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 21 D 8.16 4.96 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 4.17 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 0.95 0.00 0.00 0.95 0.00 0.00 23 V 8.38 3.64 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 0.95 0.00 0.00 0.89 0.00 0.00 24 G 8.24 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.14 2.09 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 26 A 7.93 3.94 1.35 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 27 T 8.12 3.78 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 28 L 7.93 3.94 0.00 1.75 1.62 0.90 1.11 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 A 8.19 3.93 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 30 R 8.08 3.76 0.00 1.96 2.10 0.00 3.08 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 31 C 8.22 4.21 0.00 3.20 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 32 L 8.22 4.01 0.00 1.83 1.69 0.81 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.09 3.62 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 0.73 0.00 0.00 0.93 0.00 0.00 34 V 7.80 3.50 1.47 0.00 0.00 0.00 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 0.77 0.00 0.00 35 Y 7.50 3.68 0.00 2.58 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 4.49 0.00 2.24 2.15 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 37 W 7.90 4.36 0.00 3.54 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.33 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 1.14 0.00 0.00 39 Q 8.32 4.03 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 40 R 7.35 3.61 0.00 1.60 1.10 0.00 3.02 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.36 0.00 41 Y 6.38 4.27 0.00 1.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.68 4.50 0.00 2.79 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 0.00 0.00 0.00 43 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 44 K 7.98 4.44 0.00 1.96 2.05 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.52 7.81 45 F 8.38 4.56 0.00 3.15 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 46 G 7.39 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 47 N 8.51 3.42 0.00 2.55 2.62 0.00 0.00 6.60 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 48 L 6.88 4.73 0.00 1.62 1.54 1.06 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 49 Y 7.80 4.48 0.00 3.05 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 50 N 7.69 4.73 0.00 3.09 2.92 0.00 0.00 6.69 6.88 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 51 A 8.58 3.93 1.32 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 0.00 0.00 0.00 52 A 8.05 3.89 1.35 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 53 A 8.48 3.92 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 54 I 7.94 3.74 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.88 0.00 0.00 55 A 7.96 4.02 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 56 Q 7.69 4.35 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 57 N 7.60 4.38 0.00 2.89 2.77 0.00 0.00 6.96 7.98 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 58 A 8.54 3.98 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 59 M 7.81 3.60 0.00 0.51 1.51 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 60 V 7.91 3.64 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 1.07 0.00 0.00 1.08 0.00 0.00 61 S 7.83 4.06 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 62 K 8.12 3.86 0.00 1.82 1.86 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.45 7.81 63 H 8.46 4.43 0.00 3.53 3.42 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.41 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.02 3.97 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 1.33 0.00 0.00 66 T 7.85 3.98 4.44 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 1.30 0.00 0.00 67 I 7.60 3.69 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.41 0.92 0.00 0.00 68 L 7.90 4.01 0.00 1.75 1.39 0.89 0.31 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 69 N 8.63 4.87 0.00 3.20 2.98 0.00 0.00 6.92 8.03 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 70 G 7.99 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 71 L 7.86 4.84 0.00 1.83 1.58 1.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.05 4.38 0.00 2.94 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 73 R 8.00 3.85 0.00 1.85 2.09 0.00 2.40 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.09 0.00 74 A 7.74 4.06 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.53 3.40 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 0.65 0.00 0.00 0.24 0.00 0.00 76 K 7.98 4.23 0.00 1.87 1.77 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 N 7.73 4.84 0.00 2.71 2.57 0.00 0.00 7.20 7.53 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 78 M 8.25 4.33 0.00 1.16 1.72 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.30 0.00 79 D 8.02 5.02 0.00 2.86 2.79 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 80 D 8.02 4.92 0.00 2.71 2.51 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 81 I 8.23 3.77 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.49 1.10 0.00 0.00 82 T 7.78 3.97 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 1.24 0.00 0.00 83 N 8.10 4.49 0.00 3.01 2.85 0.00 0.00 7.01 7.05 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 84 T 7.76 3.79 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 0.78 0.00 0.00 85 Y 7.75 4.61 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.67 4.02 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 87 E 8.13 3.89 0.00 2.05 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 2.38 2.37 0.00 88 L 7.96 4.05 0.00 1.94 1.94 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.45 4.36 0.00 4.14 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.83 3.46 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 0.94 0.00 0.00 0.98 0.00 0.00 91 L 8.04 3.87 0.00 1.90 1.86 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.38 4.11 0.00 3.52 3.72 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 S 7.81 3.60 0.00 2.72 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 94 E 8.40 3.97 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 95 K 7.62 4.18 0.00 1.64 1.91 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.41 7.81 96 L 7.83 4.10 0.00 1.72 1.57 0.71 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.70 4.40 0.00 3.37 3.41 0.00 5.74 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.93 3.47 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 0.06 0.00 0.00 0.32 0.00 0.00 99 D 8.90 4.36 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 3.18 0.00 1.96 1.33 0.00 3.46 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.24 0.00 101 D 8.22 4.27 0.00 2.73 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 0.00 102 N 8.01 4.40 0.00 2.62 2.84 0.00 0.00 6.88 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.53 4.44 0.00 3.10 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 0.00 104 K 7.99 3.95 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 105 L 7.74 3.77 0.00 1.68 0.94 0.89 -0.05 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 0.00 106 L 8.30 4.02 0.00 1.91 1.94 0.98 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.33 4.07 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 0.00 108 D 8.34 4.44 0.00 3.02 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 0.00 109 C 8.34 4.26 0.00 3.23 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 0.00 110 L 8.41 3.99 0.00 1.96 2.08 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.35 3.98 4.59 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 1.52 0.00 0.00 112 I 7.76 3.64 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.85 0.88 0.00 0.00 113 V 7.99 3.46 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 0.88 0.00 0.00 0.93 0.00 0.00 114 V 7.99 3.29 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 0.46 0.00 0.00 0.59 0.00 0.00 115 A 7.48 3.18 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 0.00 116 A 7.51 3.85 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 0.00 117 R 7.50 3.65 0.00 1.43 1.68 0.00 2.85 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 118 F 8.19 4.70 0.00 3.20 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 0.00 119 G 8.80 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 0.00 120 S 9.11 4.12 0.00 3.92 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 0.00 121 A 7.87 4.15 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 0.00 122 F 7.98 4.48 0.00 3.01 3.17 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 0.00 123 T 7.44 4.32 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 1.28 0.00 0.00 124 G 8.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.03 4.00 0.00 2.08 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 2.17 2.31 0.00 126 V 7.67 3.60 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 0.85 0.00 0.00 0.97 0.00 0.00 127 Q 8.01 3.55 0.00 1.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 128 A 8.38 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.72 4.26 0.00 3.37 3.45 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 0.00 131 Q 8.85 4.06 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.83 0.00 132 K 8.36 4.02 0.00 2.15 2.32 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.28 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.46 7.81 133 F 8.58 4.50 0.00 3.08 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 0.00 134 M 8.31 3.74 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.89 0.00 135 A 8.33 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.69 3.50 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 1.16 0.00 0.00 1.07 0.00 0.00 137 V 7.35 3.26 1.79 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 0.43 0.00 0.00 0.25 0.00 0.00 138 V 7.61 3.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 139 S 8.13 4.20 0.00 3.99 3.95 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 0.00 140 S 8.17 4.15 0.00 4.00 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 0.00 141 L 8.13 4.04 0.00 1.13 0.56 -0.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.67 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 0.00 0.00 0.00 0.00 143 K 7.76 4.11 0.00 2.08 1.91 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.51 7.81 144 Q 8.11 4.45 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 145 Y 7.86 4.16 0.00 3.07 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 0.00 146 R 8.41 4.27 0.00 1.75 1.78 0.00 3.25 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00