NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4192 8.3044 118.2140 55.5394 32.6679 178.5513 2 D 4.5095 8.0784 111.9236 52.5248 39.0793 173.5776 3 F 5.0757 8.8165 120.8112 57.1877 41.1679 175.2427 4 R 4.9395 9.2176 119.4902 54.6339 34.3077 174.2173 5 I 4.9896 8.4731 114.9495 59.2820 41.0350 174.4238 6 G 4.3767 8.9980 109.9248 44.7208 0.0000 171.3232 7 Q 5.1519 8.6443 117.8820 54.3364 31.9507 174.4312 8 G 4.4078 9.3102 107.4943 45.0197 0.0000 170.7104 9 Y 5.3712 8.5002 121.5912 56.0075 41.6904 173.5052 10 D 4.6061 8.4403 124.2223 53.1155 45.4613 174.0085 11 V 4.6756 7.6980 120.7012 60.7115 34.4948 173.4429 12 H 4.9999 8.9079 119.2094 53.9277 33.3766 172.9386 13 Q 4.6926 8.6272 119.6243 56.0070 30.1737 175.0288 14 L 5.0131 8.4035 123.2335 54.1639 42.5927 176.7145 15 V 4.7315 9.0340 117.1015 58.5227 34.8523 173.6011 16 P 4.4346 0.0000 0.0000 63.0951 32.8457 176.1549 17 G 4.1095 8.8526 109.4557 47.3536 0.0000 174.3549 18 R 4.7303 7.2462 115.9659 53.0668 33.2655 175.7782 19 P 4.5754 0.0000 0.0000 62.0972 32.5969 175.8861 20 L 4.4171 8.5073 125.1507 54.2459 43.0209 175.2323 21 I 4.9203 8.3034 127.6287 59.6240 40.2141 174.9743 22 I 4.7324 8.2720 127.9622 60.4019 40.2390 176.0954 23 G 3.9894 9.8678 112.9024 46.6416 0.0000 175.0436 24 G 3.9296 8.9722 106.4177 45.1724 0.0000 174.2728 25 V 4.1736 7.6061 120.6270 61.2009 32.7790 174.6454 26 T 4.7352 8.4076 124.2249 63.2812 69.1142 173.9267 27 I 4.4582 8.3184 128.2951 58.2565 39.3430 174.0168 28 P 4.3689 0.0000 0.0000 63.5012 30.0922 175.2487 29 Y 4.6404 8.2814 123.5313 57.6020 41.2587 174.8970 30 E 3.9690 7.9397 121.3565 57.7957 30.1056 176.6219 31 R 4.9211 6.5812 113.6905 55.0267 34.3072 174.5240 32 G 4.4674 8.8054 106.5501 44.2151 0.0000 171.2078 33 L 5.0522 8.4282 119.2965 53.7863 42.8550 176.4716 34 L 4.4741 8.3575 125.8576 53.9164 43.0672 175.8865 35 G 4.0022 8.2656 115.7369 46.0872 0.0000 173.6471 *36 H 4.3954 9.0053 116.4003 57.2519 28.7235 175.4071 37 S 4.6568 7.6968 119.3007 58.3009 63.5330 174.2028 38 D 4.4664 8.7778 120.9451 53.2182 39.5252 176.0067 39 A 3.4031 7.8410 121.2978 53.6601 16.5870 179.1610 40 D 4.7104 8.0663 122.1444 54.0913 39.7963 175.6204 41 V 3.8778 8.0053 127.3899 63.7673 31.2676 178.0322 42 L 3.8819 7.8224 120.1607 57.8538 42.0211 178.7949 43 L 4.0068 7.8759 118.8535 57.9879 41.4960 179.1365 44 H 4.2564 8.4154 116.1053 58.8854 28.5912 177.7068 45 A 4.0219 7.9922 122.4036 55.2551 18.2412 179.7607 46 I 3.6318 7.7688 118.3531 64.7480 37.1509 178.6535 47 T 3.7131 8.2392 116.9494 66.8921 68.2317 176.3560 48 D 4.5164 8.4038 120.4399 57.2909 40.8643 178.6166 49 A 4.1265 8.2919 121.5306 55.1300 18.3833 179.7871 50 L 3.8459 7.9772 117.4132 57.9867 41.6379 179.7044 51 F 4.4713 8.1146 117.9017 60.4862 38.7836 178.0147 52 G 3.5789 8.5126 105.4198 47.7946 0.0000 175.6434 53 A 4.1760 8.1323 123.3470 53.8645 18.4667 178.6586 54 A 3.0209 7.5975 115.9430 50.7368 19.4591 176.7950 55 A 3.6803 7.4718 119.4417 53.5670 16.6153 177.9338 56 L 4.6186 8.4813 117.3424 55.3450 43.4358 177.3472 57 G 3.9644 8.9106 107.3206 44.1200 0.0000 175.3410 58 D 4.7359 8.0673 126.4462 50.4073 42.6431 175.5538 59 I 3.8281 9.1040 118.5190 64.3975 37.5760 178.0547 60 G 3.7323 8.1856 107.0099 48.0642 0.0000 176.0200 61 R 3.9888 7.9167 122.2598 61.0636 29.4366 182.4898 62 H 4.3066 7.2085 113.6787 55.9073 29.4111 175.5217 63 F 5.0424 6.9774 117.0973 55.6761 42.3288 175.1731 *70 F 4.7233 8.5313 122.7690 57.3209 40.7302 175.8257 71 K 3.9212 8.2007 121.9039 56.2458 31.4104 182.1890 72 G 3.9384 9.0284 111.2169 44.8760 0.0000 173.0686 73 A 4.1403 8.5593 123.6566 51.5098 19.1995 178.7238 74 D 4.7019 8.3466 122.2358 52.8278 42.1110 177.7743 75 S 4.2389 8.9749 115.3171 61.1342 62.6206 177.3199 76 R 3.8785 8.0393 120.7725 58.9357 29.8519 178.4431 77 A 3.9697 8.6464 121.0155 55.2652 18.3353 179.6850 78 L 3.3283 7.6457 117.1049 57.6183 41.5572 179.5531 79 L 3.9394 8.1514 120.5544 58.1364 42.0100 179.3118 80 R 3.9247 8.2115 118.2839 59.1246 29.9166 178.6364 81 E 4.0543 8.4564 119.3618 59.2201 29.5706 178.0822 82 C 3.7361 8.6016 119.0765 62.6653 31.5283 175.4289 83 A 3.9154 8.0161 122.0015 55.2493 17.8274 179.5071 84 S 4.0802 8.0822 111.4206 61.8236 62.5341 176.7721 85 R 4.1071 8.4091 120.8996 58.9967 29.7702 179.2689 86 V 3.6892 8.2300 118.4867 65.9157 31.5229 178.0060 87 A 4.3312 8.1324 121.8890 54.7651 18.0362 179.1423 88 Q 3.9887 8.3495 117.1870 59.4206 29.1655 178.0699 89 A 4.3446 7.9404 118.8119 52.7561 18.8423 178.0388 90 G 3.6758 8.6331 107.1300 44.7290 0.0000 172.8685 91 F 5.2964 8.1058 118.0491 55.6338 41.5711 174.6103 92 A 4.8484 9.0760 123.9390 50.2795 21.6959 175.8835 93 I 4.2320 8.3310 122.0804 61.3771 37.5797 175.9008 94 R 4.5450 9.2382 126.7851 58.0399 31.2934 176.3459 95 N 5.0391 7.6505 113.2738 52.0595 40.6340 173.4553 96 V 4.9121 8.7977 119.6064 61.2901 35.1308 173.7576 97 D 5.4235 9.2112 125.9424 51.7774 45.0342 174.0856 98 S 5.0985 8.1727 115.6332 58.0619 66.5658 173.2886 99 T 4.9870 8.7896 116.6730 62.1194 72.7117 172.9989 100 I 4.6621 8.9656 127.5430 59.9301 39.5800 174.7157 101 I 4.8505 8.9492 128.3308 59.7173 38.5741 174.7660 102 A 4.7185 8.8272 129.4058 50.2871 21.8589 176.5434 103 Q 3.8416 9.0393 124.2378 58.8031 29.4534 175.9276 104 A 4.5259 7.2922 117.1087 49.9882 22.0964 173.5891 105 P 4.4451 0.0000 0.0000 61.8576 32.9902 176.5228 106 K 4.0901 8.3658 120.0045 54.9524 31.9050 173.1233 107 L 4.4498 8.4815 122.9783 54.5612 42.8531 178.6200 108 A 3.9418 8.1989 122.4606 54.8339 18.1269 177.3694 109 P 4.4624 0.0000 0.0000 64.2457 31.9518 176.8633 110 H 4.7532 8.2967 116.6133 56.4239 29.2969 176.8923 111 I 3.6817 7.3748 122.5418 64.6208 36.9883 177.9129 112 D 4.3488 8.1375 118.8711 57.2680 40.5369 178.6390 113 A 3.9953 7.9565 120.8382 55.3403 18.3766 179.3673 114 M 4.3760 7.9758 118.4982 58.0970 31.9683 179.0603 115 R 3.8833 8.3236 118.2663 59.3080 30.2555 178.9883 116 A 3.9653 8.1420 120.3532 55.1196 18.3721 179.1992 117 N 4.2373 8.4082 115.3208 56.7208 38.6519 177.5941 118 I 3.6639 7.9880 120.8225 64.3848 37.1276 178.3737 119 A 3.9606 8.3021 121.5620 55.0374 18.2728 179.5622 120 A 3.9182 8.1502 119.2492 55.5545 18.2917 179.6750 121 D 4.3451 8.0740 116.1213 56.9645 40.9831 178.1493 122 L 4.2768 8.0111 116.9065 53.5947 42.8589 175.6699 123 D 4.3687 7.7151 117.1037 55.6249 39.9048 173.0236 124 L 4.8382 7.9270 117.5624 51.8022 45.0297 175.6179 125 P 4.4842 0.0000 0.0000 62.4509 32.3131 177.2326 126 L 3.9657 8.6048 119.6956 58.1642 41.5960 178.8436 127 D 4.6111 8.0593 114.1878 54.4322 39.5123 176.3621 128 R 4.6281 8.0866 118.3820 56.0323 31.7050 175.2491 129 V 4.8207 7.8285 119.0896 61.1396 33.9833 174.3260 130 N 5.1389 9.2215 125.2872 51.9384 42.9378 173.0299 131 V 4.8202 8.2159 122.9037 60.1524 34.5836 174.4201 132 K 4.8687 9.1046 126.1115 54.5332 35.9765 174.8497 133 A 5.2452 8.3961 122.1922 50.4351 22.3306 175.6582 134 K 4.7262 8.9441 118.9732 55.0369 37.1364 176.6011 135 T 4.8232 8.3799 113.7595 60.1098 70.9671 173.6894 136 N 4.8048 8.7599 116.9616 52.9197 39.0428 174.0707 137 E 3.7801 8.8934 115.7167 57.6234 27.6638 175.9808 138 K 4.1431 8.3118 113.5803 54.5100 29.7699 177.1034 139 L 4.4335 7.8912 119.8231 55.2225 43.1545 178.5459 140 G 4.0195 8.4971 112.0544 44.9225 0.0000 173.3454 141 Y 4.3206 8.1730 115.8946 60.1854 37.6282 178.2864 142 L 4.0708 7.0491 120.3474 57.6520 41.6641 179.6262 143 G 3.6068 8.0696 105.4447 47.4833 0.0000 175.0059 144 R 4.4845 7.9659 117.6027 55.6665 30.3323 176.7854 145 G 3.9598 7.9935 106.9299 46.7618 0.0000 174.8316 146 E 4.2943 8.5720 120.6807 57.3333 30.0416 176.0024 147 G 4.5527 7.4912 103.7735 45.7563 0.0000 172.4234 148 I 4.9609 8.5876 119.5860 59.4100 41.1378 174.8295 149 E 5.0604 8.8761 126.4406 54.4718 32.6411 174.3416 150 A 5.2430 8.6537 125.0934 50.2858 22.9638 175.0370 151 Q 5.2271 9.1823 119.1536 54.2318 32.6990 174.6414 152 A 5.2350 9.0900 122.5745 50.4643 23.3853 174.8961 153 A 5.2195 9.2508 121.1302 50.1191 22.7095 175.1893 154 A 5.1010 9.0436 122.5425 49.9536 23.1834 174.5731 155 L 5.1412 8.7827 122.3919 53.4205 44.9994 175.8254 156 V 5.1905 8.9284 118.3678 59.5832 36.5802 174.6724 157 V 4.8183 8.8373 120.6409 60.0571 34.8735 174.7271 158 R 4.3168 8.6044 124.8313 55.4545 30.2746 176.1365 159 E 4.0815 8.3922 125.8055 56.6241 29.5132 176.7546 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 4.42 0.00 2.08 1.48 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 2 D 8.08 4.51 0.00 2.86 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 3 F 8.82 5.08 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.22 4.94 0.00 1.62 1.74 0.00 3.29 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 5 I 8.47 4.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.92 0.00 0.00 6 G 9.00 4.38 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 0.00 7 Q 8.64 5.15 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 8 G 9.31 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 0.00 0.00 0.00 0.00 9 Y 8.50 5.37 0.00 2.93 2.78 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 10 D 8.44 4.61 0.00 2.73 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 0.00 0.00 0.00 0.00 11 V 7.70 4.68 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 0.73 0.00 0.00 1.06 0.00 0.00 12 H 8.91 5.00 0.00 3.06 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.63 4.69 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 14 L 8.40 5.01 0.00 1.62 1.71 1.09 0.82 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 15 V 9.03 4.73 2.09 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 0.78 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.43 0.00 2.09 2.15 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 17 G 8.85 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.25 4.73 0.00 1.78 1.73 0.00 3.27 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 19 P 0.00 4.58 0.00 1.93 2.01 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 20 L 8.51 4.42 0.00 2.09 1.80 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.30 4.92 1.83 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 1.32 1.10 0.88 0.00 0.00 22 I 8.27 4.73 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.87 0.00 0.00 23 G 9.87 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.61 4.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 26 T 8.41 4.74 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 27 I 8.32 4.46 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.64 0.80 0.00 0.00 28 P 0.00 4.37 0.00 2.13 2.11 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 29 Y 8.28 4.64 0.00 2.93 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 30 E 7.94 3.97 0.00 2.03 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 2.23 1.90 0.00 31 R 6.58 4.92 0.00 1.70 1.92 0.00 3.09 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 32 G 8.81 4.47 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 0.00 33 L 8.43 5.05 0.00 1.50 1.56 0.92 1.00 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 34 L 8.36 4.47 0.00 1.66 1.60 0.93 0.92 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 35 G 8.27 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 0.00 0.00 0.00 *36 H 9.01 4.40 0.00 2.94 2.99 0.00 7.20 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.70 4.66 0.00 3.98 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 38 D 8.78 4.47 0.00 2.76 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 39 A 7.84 3.40 1.28 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 0.00 0.00 40 D 8.07 4.71 0.00 2.78 2.45 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 41 V 8.01 3.88 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 0.90 0.00 0.00 0.93 0.00 0.00 42 L 7.82 3.88 0.00 1.74 1.81 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 4.01 0.00 1.65 1.69 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.42 4.26 0.00 3.45 3.36 0.00 5.64 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 45 A 7.99 4.02 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 46 I 7.77 3.63 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 1.51 0.85 0.88 0.00 0.00 47 T 8.24 3.71 4.49 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 1.30 0.00 0.00 48 D 8.40 4.52 0.00 3.01 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 49 A 8.29 4.13 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 50 L 7.98 3.85 0.00 1.57 1.51 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.11 4.47 0.00 3.02 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.51 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 53 A 8.13 4.18 1.24 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 0.00 0.00 0.00 54 A 7.60 3.02 1.09 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 0.00 0.00 55 A 7.47 3.68 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 56 L 8.48 4.62 0.00 1.80 1.74 1.17 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.91 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 0.00 0.00 0.00 58 D 8.07 4.74 0.00 3.04 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 9.10 3.83 2.17 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 1.65 1.74 0.98 0.00 0.00 60 G 8.19 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 61 R 7.92 3.99 0.00 1.94 1.86 0.00 3.26 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 62 H 7.21 4.31 0.00 1.80 1.95 0.00 5.56 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 6.98 5.04 0.00 2.94 2.62 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 *70 F 8.53 4.72 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.92 0.00 1.77 1.66 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.04 7.81 72 G 9.03 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 73 A 8.56 4.14 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 74 D 8.35 4.70 0.00 3.14 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 75 S 8.97 4.24 0.00 3.86 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 76 R 8.04 3.88 0.00 1.97 2.03 0.00 3.12 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 1.80 1.67 0.00 77 A 8.65 3.97 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 78 L 7.65 3.33 0.00 1.69 1.19 0.67 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.15 3.94 0.00 1.80 1.79 0.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.21 3.92 0.00 2.06 1.98 0.00 3.18 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 81 E 8.46 4.05 0.00 2.28 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 0.00 2.69 2.78 0.00 82 C 8.60 3.74 0.00 2.82 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 83 A 8.02 3.92 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 84 S 8.08 4.08 0.00 3.98 4.17 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 85 R 8.41 4.11 0.00 2.21 2.16 0.00 3.36 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 86 V 8.23 3.69 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 0.87 0.00 0.00 87 A 8.13 4.33 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 88 Q 8.35 3.99 0.00 2.25 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 89 A 7.94 4.34 1.66 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 90 G 8.63 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 91 F 8.11 5.30 0.00 3.16 2.95 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 92 A 9.08 4.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.33 4.23 1.89 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 1.35 0.61 0.92 0.00 0.00 94 R 9.24 4.54 0.00 1.91 2.06 0.00 3.48 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 95 N 7.65 5.04 0.00 2.85 2.87 0.00 0.00 5.59 7.68 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 96 V 8.80 4.91 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 0.92 0.00 0.00 0.91 0.00 0.00 97 D 9.21 5.42 0.00 2.78 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.17 5.10 0.00 3.99 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 99 T 8.79 4.99 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 1.21 0.00 0.00 100 I 8.97 4.66 1.84 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 1.20 0.66 0.92 0.00 0.00 101 I 8.95 4.85 1.86 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 1.16 1.01 0.96 0.00 0.00 102 A 8.83 4.72 1.16 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 0.00 0.00 103 Q 9.04 3.84 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 104 A 7.29 4.53 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 0.00 105 P 0.00 4.45 0.00 2.10 1.89 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 106 K 8.37 4.09 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.48 4.45 0.00 1.67 1.72 0.87 0.92 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 0.00 108 A 8.20 3.94 1.28 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 0.00 0.00 109 P 0.00 4.46 0.00 2.02 2.10 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 110 H 8.30 4.75 0.00 3.26 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.37 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.97 0.94 0.00 0.00 112 D 8.14 4.35 0.00 2.67 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 0.00 113 A 7.96 4.00 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 0.00 114 M 7.98 4.38 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 115 R 8.32 3.88 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 116 A 8.14 3.97 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 0.00 117 N 8.41 4.24 0.00 2.97 2.88 0.00 0.00 7.07 7.47 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 0.00 118 I 7.99 3.66 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.90 0.00 0.00 119 A 8.30 3.96 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 0.00 120 A 8.15 3.92 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 0.00 121 D 8.07 4.35 0.00 2.80 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 0.00 122 L 8.01 4.28 0.00 1.67 1.69 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.72 4.37 0.00 2.79 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 0.00 124 L 7.93 4.84 0.00 1.62 1.53 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.48 0.00 2.37 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 126 L 8.60 3.97 0.00 1.73 1.77 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.06 4.61 0.00 2.78 2.78 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 0.00 128 R 8.09 4.63 0.00 1.94 2.06 0.00 3.08 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 129 V 7.83 4.82 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.22 5.14 0.00 2.82 2.73 0.00 0.00 6.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.22 4.82 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 1.21 0.00 0.00 0.92 0.00 0.00 132 K 9.10 4.87 0.00 1.77 1.64 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.47 7.81 133 A 8.40 5.25 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.94 4.73 0.00 1.61 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.52 7.81 135 T 8.38 4.82 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 1.19 0.00 0.00 136 N 8.76 4.80 0.00 2.76 2.69 0.00 0.00 7.78 7.67 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 0.00 137 E 8.89 3.78 0.00 2.11 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 2.24 2.36 0.00 138 K 8.31 4.14 0.00 1.93 1.75 0.00 1.69 0.00 0.00 2.36 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.97 7.81 139 L 7.89 4.43 0.00 1.76 1.54 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.50 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.17 4.32 0.00 3.26 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 0.00 142 L 7.05 4.07 0.00 1.51 1.68 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.07 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.97 4.48 0.00 1.87 2.02 0.00 3.29 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 145 G 7.99 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 0.00 0.00 0.00 146 E 8.57 4.29 0.00 2.34 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 0.00 2.35 2.32 0.00 147 G 7.49 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.59 4.96 1.87 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 1.09 0.79 0.93 0.00 0.00 149 E 8.88 5.06 0.00 2.10 1.78 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 2.18 2.21 0.00 150 A 8.65 5.24 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 0.00 151 Q 9.18 5.23 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 152 A 9.09 5.23 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 0.00 153 A 9.25 5.22 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 0.00 154 A 9.04 5.10 1.18 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 0.00 0.00 155 L 8.78 5.14 0.00 1.77 1.67 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.93 5.19 2.24 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 0.65 0.00 0.00 0.81 0.00 0.00 157 V 8.84 4.82 1.67 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 0.83 0.00 0.00 0.37 0.00 0.00 158 R 8.60 4.32 0.00 1.64 1.87 0.00 2.87 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.06 0.00 159 E 8.39 4.08 0.00 1.94 1.78 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 2.43 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.