NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2965 8.2649 123.5837 52.4084 19.5098 178.4784 6 T 4.0475 8.3148 115.8876 64.0013 69.1915 172.4710 7 S 4.3582 8.4453 117.8803 58.3274 64.0794 172.4223 8 T 4.6590 7.8698 117.6942 59.6470 70.0192 173.0848 9 N 4.3522 8.6064 123.0218 55.7895 39.2255 173.2766 10 P 4.6140 0.0000 0.0000 61.2257 32.4509 176.2590 11 A 4.9416 7.9992 127.6164 53.1071 18.3699 179.0176 12 K 4.1372 8.8036 121.7837 57.2457 33.6159 176.3218 13 S 5.0787 7.7712 110.1250 55.6474 65.6278 173.3618 14 A 4.9491 8.2908 121.9222 50.5437 22.3139 174.8513 15 S 4.7420 8.5868 114.7694 57.2741 65.7739 172.7629 16 A 4.7228 8.3863 124.1105 51.5973 21.8488 175.2986 17 R 4.5852 8.2833 117.7664 54.9701 34.9807 174.9562 18 G 3.8563 8.2435 108.7075 46.7711 0.0000 174.5823 19 S 5.1158 8.2050 118.4473 57.0961 65.1993 172.4029 20 Y 4.5891 8.0179 120.7580 58.1408 38.1969 175.8454 21 L 4.4352 9.0214 125.7252 53.8571 43.4920 177.0449 22 R 4.6056 8.1653 115.5609 56.1431 30.1559 177.0459 23 V 4.1208 7.3898 118.0492 60.1371 32.9498 175.8177 24 S 4.2363 8.3880 116.2978 58.6912 63.1459 173.7181 25 F 3.7186 8.7527 125.8375 57.0690 40.6396 175.8214 26 K 4.0093 7.3607 124.0346 57.7946 31.7269 176.0806 27 N 4.1164 8.2489 114.6452 54.1614 36.1272 174.5590 28 T 4.4313 7.0839 109.5421 63.1014 72.2677 175.4165 29 R 4.1112 7.5863 119.7495 58.9696 30.5452 177.7142 30 E 3.9738 7.9344 114.6339 59.3762 29.8490 177.4883 31 T 3.7566 7.4216 112.5654 61.9643 68.0923 169.9633 32 A 3.7953 8.6647 135.0000 52.8789 18.6750 177.5562 33 Q 3.7733 8.8471 118.8073 56.2182 27.9663 174.1516 34 A 4.5330 8.3285 125.1334 52.7064 26.2431 180.2755 35 I 3.1899 8.5369 111.7660 58.4134 36.9720 175.2099 36 N 5.0782 8.2058 121.3339 52.9530 40.0422 175.6097 37 G 3.8107 8.8340 108.7312 45.8033 0.0000 172.9350 38 W 4.8233 7.8998 118.7644 54.0291 32.0153 176.6824 39 E 3.7232 9.0592 117.7999 57.5666 29.2110 178.1454 40 L 4.0777 8.5410 117.7540 55.9231 39.2608 174.5492 41 T 4.6369 7.6497 114.5749 63.2018 70.1827 174.1639 42 K 4.2126 8.3552 121.1973 58.0337 34.0292 176.2196 43 A 4.8315 7.8252 124.9461 49.7809 17.2402 174.7354 44 Q 4.6744 7.9161 124.9950 56.1272 31.2133 175.7545 45 K 4.4189 7.7214 115.3193 56.4305 32.9784 174.9199 46 Y 3.8482 7.2676 118.5695 57.4313 42.3026 174.1712 47 L 4.2111 9.1787 125.2247 55.9625 40.1294 177.1833 48 E 3.7917 7.9125 116.9198 59.3703 29.3703 179.1061 49 Q 3.9201 8.0286 119.2264 59.0175 29.1788 178.3230 50 V 4.1159 7.6973 120.0680 65.5141 31.4784 177.5962 51 L 3.7722 8.1697 119.2383 58.0810 41.9980 178.1725 52 D 4.1755 8.2059 116.9429 55.4773 41.0679 176.5239 53 H 4.2440 8.0912 114.7181 56.4900 26.7880 175.6433 54 Q 4.0826 8.5960 123.2868 58.3971 29.2635 176.0593 55 R 5.0675 7.7755 116.2553 54.3751 33.6160 174.1013 56 A 5.2861 8.1217 124.8216 50.0172 21.9952 176.0592 57 I 4.2500 8.0949 114.6832 58.3358 38.8232 173.9181 58 P 4.2820 0.0000 0.0000 62.8736 31.7487 175.7585 59 F 4.8117 7.1108 119.1957 54.8603 39.4520 174.9566 60 R 4.6333 8.4889 122.2962 55.2907 33.1063 174.6204 61 R 4.0076 8.6467 118.8346 56.4844 28.8034 175.7531 62 F 4.7653 8.5777 121.6655 58.0622 45.8125 174.0149 63 N 3.8159 10.0579 121.9507 53.3045 37.4304 175.8985 64 S 4.1502 8.2979 119.3819 61.5406 63.4696 175.7843 65 S 4.3624 7.5404 114.9042 58.5395 64.7810 170.1954 66 I 2.9578 8.3641 119.4184 61.6433 37.6593 173.8691 67 G 3.8870 7.6451 111.3930 45.5152 0.0000 171.9505 68 R 4.4700 8.1100 121.0089 55.8609 31.1480 174.0841 69 T 4.4796 8.2076 116.6580 62.7928 72.6687 172.1129 70 A 4.8761 8.0475 124.4466 50.1132 22.3603 177.4343 71 Q 5.0547 8.0927 117.5446 58.4574 29.0972 179.4181 72 G 3.8459 8.3187 106.5188 47.8096 0.0000 173.5631 73 K 4.7423 8.0954 119.3644 55.4380 33.0277 174.9962 74 E 4.9372 7.3915 116.7686 56.9452 32.3817 173.9085 75 F 5.7586 7.4514 116.4823 53.4590 41.0706 173.6652 76 G 3.6481 9.0052 109.3309 47.1502 0.0000 172.6722 77 V 4.0483 7.2248 118.2463 61.1605 36.3847 173.6098 78 T 4.4776 7.8951 114.1984 61.9166 67.6687 175.5115 79 K 4.3862 8.3879 119.6396 56.7724 34.2687 175.5261 80 A 4.5373 8.6813 122.0992 50.7845 22.5258 176.1027 81 R 4.4242 8.3739 117.0844 54.5320 33.3990 173.3784 82 W 5.1527 8.8489 125.2601 56.1634 28.0762 177.8739 83 P 4.8961 0.0000 0.0000 62.5458 31.7059 174.9876 84 A 4.4915 8.5409 123.5969 52.3013 20.1388 177.1327 85 K 4.6278 8.8780 122.5025 57.1500 31.3928 178.8314 86 S 4.2463 7.9962 111.2047 60.6594 63.6207 174.5718 87 V 3.8775 7.4137 120.7141 62.3904 31.9283 175.1414 88 K 4.2619 8.5125 126.0872 58.1768 32.3785 175.8255 89 F 3.7981 8.2401 121.6425 58.3682 37.1972 175.8448 90 V 4.3095 7.3635 118.7676 64.3339 34.3505 174.9852 91 Q 4.1685 7.8865 120.7738 56.9868 29.7742 175.3003 92 G 3.9687 9.0938 116.8780 46.3487 0.0000 175.9950 93 L 4.0180 7.5750 119.3413 57.9134 40.8260 178.1789 94 L 4.1439 8.1664 119.3715 58.0033 41.0081 178.2050 95 Q 3.9864 8.0801 119.6582 58.9127 29.1842 176.0423 96 N 4.3154 7.6058 114.4708 54.1678 39.4821 173.2692 97 A 4.3034 9.7980 125.9616 50.3604 15.1397 176.7756 98 A 3.8944 8.7808 120.2126 52.0015 19.2660 178.6611 99 A 3.6405 8.9845 124.0341 53.4189 17.0241 179.7081 100 N 4.2757 8.8864 119.3088 54.4982 37.8633 177.1703 101 A 4.0311 7.8704 122.8028 55.2154 18.3710 179.0629 102 E 4.1083 8.3876 117.7039 58.6137 29.6974 178.4141 103 A 4.0775 7.2430 119.3563 54.0622 18.9086 178.0376 104 K 4.0072 7.2269 117.5543 55.5981 32.8820 176.8826 105 G 3.6959 8.5777 114.5523 46.1380 0.0000 172.7575 106 L 4.3157 7.8075 122.9636 54.1665 42.6711 173.9678 107 D 4.5891 8.7671 122.1050 54.2627 41.2348 176.2997 108 A 4.0448 8.6893 127.8531 55.4402 18.6233 177.7797 109 T 4.5461 7.8811 110.1428 62.9426 69.6880 175.3099 110 K 3.1565 8.7043 120.2536 57.9712 32.3256 174.8756 111 L 3.4786 8.1220 109.4758 55.7172 38.2631 172.8236 112 Y 4.3665 7.5602 117.4402 57.3441 38.9307 176.6043 113 V 3.7682 8.9209 124.4273 61.8496 31.3725 177.0656 114 S 4.0292 8.8850 120.2044 60.9048 62.4816 173.0859 115 H 5.0386 7.9166 116.0881 54.2459 33.3290 171.2378 116 I 4.7013 7.4616 113.4924 59.8007 39.9097 172.4235 117 Q 4.5912 8.4729 117.1616 58.2563 31.8692 174.8095 118 V 4.6571 8.8700 122.4255 61.9654 31.9641 173.7065 119 N 3.6256 8.7076 118.9961 52.9781 35.0574 172.5434 120 Q 3.8954 7.4162 121.6666 56.1194 29.4451 176.1092 121 A 4.8028 8.0982 125.2923 49.3195 21.6998 174.5629 122 P 4.4561 0.0000 0.0000 62.6206 32.0308 176.7711 123 K 4.1918 8.3358 121.0275 56.7570 33.9737 176.4419 124 Q 4.2897 7.6784 119.1485 55.2769 30.1287 176.2638 125 R 4.3006 8.4754 118.5413 56.6922 30.9589 176.5277 126 R 5.2756 8.3006 117.3962 54.2696 32.6576 175.1252 127 R 4.7611 8.4666 117.6454 55.3380 32.8946 175.6626 128 T 4.9843 8.4903 115.6754 61.6530 72.5999 173.0874 129 Y 4.5056 7.7021 127.5843 57.8843 41.7313 171.8681 130 R 5.6442 5.8400 119.1665 56.0181 31.9598 173.6459 131 A 4.4203 7.5842 124.1759 52.9631 23.2878 177.2190 132 H 4.0300 9.6860 117.2955 60.3315 29.6053 175.4714 133 G 3.9706 7.2100 104.7067 45.6713 0.0000 171.7507 134 R 4.4746 7.2264 126.4211 55.8290 33.5250 172.3341 135 I 5.8048 8.1259 113.2675 58.8715 40.5910 174.2121 136 N 5.2152 8.6479 121.0311 51.1265 42.1673 174.1095 137 K 4.7852 8.7936 123.0140 56.4943 33.8894 175.5451 138 Y 4.5605 8.3934 125.6682 56.3146 41.0304 173.5051 139 E 4.7346 7.9324 125.4752 55.5819 33.0127 174.5250 140 S 4.6648 8.3740 118.3523 57.0207 66.1010 172.8189 141 S 4.7575 8.3350 116.7778 56.5337 64.1459 172.7659 142 P 5.6091 0.0000 0.0000 62.3684 33.1361 175.1776 143 S 5.1235 8.7859 114.4553 56.9583 66.9048 172.1406 144 H 5.7148 8.9666 116.9921 52.8675 30.4107 172.9041 145 I 4.7924 8.5571 116.1152 59.0582 40.8772 174.0723 146 E 4.8991 8.2968 117.0114 54.9048 32.6087 174.3555 147 L 5.0479 8.4294 123.4708 52.9352 45.7020 175.1634 148 V 4.7663 8.3743 119.8409 62.8966 31.7667 178.2829 149 V 4.3345 8.5604 113.4142 61.2524 35.9832 173.1448 150 T 4.5674 8.2150 118.1140 61.3392 71.0668 173.7717 151 E 4.1580 8.9450 118.8265 57.4167 29.3102 176.5937 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 5 A 8.26 4.30 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 0.00 0.00 0.00 6 T 8.31 4.05 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 1.19 0.00 0.00 7 S 8.45 4.36 0.00 3.83 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 8 T 7.87 4.66 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 9 N 8.61 4.35 0.00 2.71 2.93 0.00 0.00 7.21 8.07 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 10 P 0.00 4.61 0.00 2.22 2.03 0.00 3.97 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 1.97 1.96 0.00 11 A 8.00 4.94 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 12 K 8.80 4.14 0.00 1.71 1.87 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.81 7.81 13 S 7.77 5.08 0.00 3.90 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 14 A 8.29 4.95 1.21 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 0.00 0.00 15 S 8.59 4.74 0.00 3.94 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 16 A 8.39 4.72 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 17 R 8.28 4.59 0.00 1.70 2.00 0.00 3.41 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 18 G 8.24 3.86 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 0.00 0.00 0.00 19 S 8.20 5.12 0.00 3.71 3.59 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 20 Y 8.02 4.59 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 L 9.02 4.44 0.00 1.72 1.52 1.09 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.17 4.61 0.00 1.73 1.90 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 23 V 7.39 4.12 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 0.76 0.00 0.00 0.94 0.00 0.00 24 S 8.39 4.24 0.00 3.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.75 3.72 0.00 3.27 3.35 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 26 K 7.36 4.01 0.00 2.57 2.56 0.00 1.95 0.00 0.00 2.10 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.59 7.81 27 N 8.25 4.12 0.00 2.81 2.85 0.00 0.00 6.65 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 28 T 7.08 4.43 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 -1.20 0.00 0.00 29 R 7.59 4.11 0.00 1.81 2.01 0.00 3.53 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 30 E 7.93 3.97 0.00 1.89 1.81 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 1.73 2.08 0.00 31 T 7.42 3.76 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 1.20 0.00 0.00 32 A 8.66 3.80 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 33 Q 8.85 3.77 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 34 A 8.33 4.53 1.03 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 35 I 8.54 3.19 1.61 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 1.41 0.80 -0.02 0.00 0.00 36 N 8.21 5.08 0.00 2.86 2.86 0.00 0.00 6.41 7.00 0.00 0.00 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 8.83 3.81 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 0.00 0.00 0.00 38 W 7.90 4.82 0.00 3.44 3.29 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 39 E 9.06 3.72 0.00 1.83 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 0.00 2.46 2.43 0.00 40 L 8.54 4.08 0.00 1.93 2.11 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.65 4.64 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 1.20 0.00 0.00 42 K 8.36 4.21 0.00 2.09 2.17 0.00 1.88 0.00 0.00 2.00 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 2.46 1.97 7.81 43 A 7.83 4.83 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 44 Q 7.92 4.67 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.48 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 45 K 7.72 4.42 0.00 1.79 1.84 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.32 7.81 46 Y 7.27 3.85 0.00 3.25 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.18 4.21 0.00 1.92 1.84 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.91 3.79 0.00 2.00 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 2.37 0.00 49 Q 8.03 3.92 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 50 V 7.70 4.12 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 1.37 0.00 0.00 0.94 0.00 0.00 51 L 8.17 3.77 0.00 1.59 1.76 0.92 0.87 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 52 D 8.21 4.18 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.09 4.24 0.00 3.20 3.42 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.60 4.08 0.00 1.94 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 55 R 7.78 5.07 0.00 2.09 1.87 0.00 3.53 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 56 A 8.12 5.29 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 57 I 8.09 4.25 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.75 0.00 0.00 58 P 0.00 4.28 0.00 1.91 1.81 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.08 0.00 59 F 7.11 4.81 0.00 2.56 2.33 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 60 R 8.49 4.63 0.00 1.76 1.84 0.00 3.60 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 61 R 8.65 4.01 0.00 2.07 2.05 0.00 3.33 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 62 F 8.58 4.77 0.00 2.89 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 63 N 10.06 3.82 0.00 3.33 3.03 0.00 0.00 5.98 7.64 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 64 S 8.30 4.15 0.00 3.78 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 65 S 7.54 4.36 0.00 3.77 3.78 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 0.00 0.00 0.00 0.00 66 I 8.36 2.96 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.84 0.00 0.00 67 G 7.65 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 68 R 8.11 4.47 0.00 1.90 1.89 0.00 3.05 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 69 T 8.21 4.48 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 1.22 0.00 0.00 70 A 8.05 4.88 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 71 Q 8.09 5.05 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 72 G 8.32 3.85 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 0.00 0.00 0.00 73 K 8.10 4.74 0.00 1.98 2.15 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.55 7.81 74 E 7.39 4.94 0.00 1.84 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 1.89 1.96 0.00 75 F 7.45 5.76 0.00 3.21 3.05 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 0.00 0.00 0.00 0.00 76 G 9.01 3.65 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 0.00 0.00 0.00 77 V 7.22 4.05 1.75 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 -0.28 0.00 0.00 0.48 0.00 0.00 78 T 7.90 4.48 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 1.17 0.00 0.00 79 K 8.39 4.39 0.00 2.04 1.92 0.00 1.62 0.00 0.00 1.91 0.00 0.00 3.32 0.00 0.00 3.12 0.00 0.00 0.00 0.00 2.07 1.48 7.81 80 A 8.68 4.54 1.17 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 0.00 0.00 81 R 8.37 4.42 0.00 1.55 1.83 0.00 3.11 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 82 W 8.85 5.15 0.00 3.37 2.23 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 83 P 0.00 4.90 0.00 2.23 2.07 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 84 A 8.54 4.49 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 85 K 8.88 4.63 0.00 2.01 2.09 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 86 S 8.00 4.25 0.00 4.06 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 87 V 7.41 3.88 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 0.90 0.00 0.00 1.00 0.00 0.00 88 K 8.51 4.26 0.00 1.89 2.11 0.00 1.95 0.00 0.00 2.08 0.00 0.00 3.22 0.00 0.00 3.63 0.00 0.00 0.00 0.00 1.33 1.40 7.81 89 F 8.24 3.80 0.00 3.54 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 90 V 7.36 4.31 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 1.02 0.00 0.00 1.00 0.00 0.00 91 Q 7.89 4.17 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.69 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 92 G 9.09 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 93 L 7.58 4.02 0.00 1.77 1.82 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.17 4.14 0.00 1.75 1.83 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.08 3.99 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 96 N 7.61 4.32 0.00 2.67 2.81 0.00 0.00 7.29 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 97 A 9.80 4.30 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 98 A 8.78 3.89 1.50 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 99 A 8.98 3.64 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 0.00 100 N 8.89 4.28 0.00 2.92 3.10 0.00 0.00 5.83 7.46 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 0.00 101 A 7.87 4.03 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 0.00 102 E 8.39 4.11 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 103 A 7.24 4.08 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 0.00 104 K 7.23 4.01 0.00 1.68 1.86 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 105 G 8.58 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 0.00 106 L 7.81 4.32 0.00 1.89 1.71 1.06 0.81 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 0.00 107 D 8.77 4.59 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.69 4.04 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 0.00 109 T 7.88 4.55 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 1.17 0.00 0.00 110 K 8.70 3.16 0.00 1.73 1.67 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 1.31 7.81 111 L 8.12 3.48 0.00 1.93 1.68 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 7.56 4.37 0.00 3.04 2.90 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 0.00 0.00 0.00 0.00 113 V 8.92 3.77 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 0.96 0.00 0.00 0.98 0.00 0.00 114 S 8.88 4.03 0.00 3.91 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 0.00 115 H 7.92 5.04 0.00 3.09 3.18 0.00 5.92 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.46 4.70 1.89 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.10 0.94 0.00 0.00 117 Q 8.47 4.59 0.00 2.18 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.19 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 118 V 8.87 4.66 2.26 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 0.76 0.00 0.00 1.40 0.00 0.00 119 N 8.71 3.63 0.00 2.83 2.97 0.00 0.00 5.96 6.99 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 0.00 120 Q 7.42 3.90 0.00 1.67 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 1.74 1.24 0.00 121 A 8.10 4.80 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 0.00 122 P 0.00 4.46 0.00 1.97 1.99 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 123 K 8.34 4.19 0.00 1.90 1.79 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.35 7.81 124 Q 7.68 4.29 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 125 R 8.48 4.30 0.00 1.70 1.87 0.00 3.18 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 126 R 8.30 5.28 0.00 1.81 1.92 0.00 2.78 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 127 R 8.47 4.76 0.00 2.03 1.97 0.00 3.29 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.65 0.00 128 T 8.49 4.98 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 129 Y 7.70 4.51 0.00 3.16 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 0.00 130 R 5.84 5.64 0.00 1.75 1.62 0.00 2.47 0.00 0.00 3.69 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.27 0.00 131 A 7.58 4.42 1.07 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 0.00 132 H 9.69 4.03 0.00 3.10 3.36 0.00 5.98 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 0.00 133 G 7.21 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 0.00 134 R 7.23 4.47 0.00 1.92 1.77 0.00 3.20 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 135 I 8.13 5.80 1.88 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 1.35 1.02 0.88 0.00 0.00 136 N 8.65 5.22 0.00 2.63 2.78 0.00 0.00 7.01 7.61 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 0.00 137 K 8.79 4.79 0.00 1.77 1.84 0.00 1.15 0.00 0.00 2.29 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.22 7.81 138 Y 8.39 4.56 0.00 3.12 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 0.00 139 E 7.93 4.73 0.00 2.03 1.64 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 2.20 2.20 0.00 140 S 8.37 4.66 0.00 3.90 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 0.00 141 S 8.34 4.76 0.00 3.85 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 0.00 142 P 0.00 5.61 0.00 2.18 2.37 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.57 0.00 143 S 8.79 5.12 0.00 4.33 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 0.00 144 H 8.97 5.71 0.00 3.35 3.28 0.00 5.51 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.56 4.79 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 1.04 0.00 0.00 146 E 8.30 4.90 0.00 1.93 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 2.26 2.35 0.00 147 L 8.43 5.05 0.00 1.65 1.63 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.37 4.77 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 0.95 0.00 0.00 1.07 0.00 0.00 149 V 8.56 4.33 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 0.89 0.00 0.00 0.97 0.00 0.00 150 T 8.21 4.57 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 0.00 151 E 8.94 4.16 0.00 2.12 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 2.29 2.27 0.00