NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0920 8.1633 120.7361 55.1804 33.9681 173.7324 2 R 4.9371 9.2949 121.2951 52.1960 33.2698 169.9589 3 V 4.9851 8.6607 122.6710 60.0608 35.9396 173.9184 4 V 4.8707 8.8184 123.5132 61.4934 33.9114 173.9990 5 I 4.9806 8.9626 129.9300 59.7514 39.5971 174.8483 6 Q 5.0818 9.0572 126.0433 53.8385 32.4389 174.8708 7 R 4.4746 8.5370 124.7625 56.4158 31.4540 175.6222 8 V 5.0850 9.0387 118.7686 59.6902 35.5498 176.7656 9 K 4.1777 8.4898 123.3487 58.3398 32.7357 176.7696 10 G 4.5199 7.6058 105.2435 45.6605 0.0000 171.9118 11 A 4.8274 8.0173 117.7190 51.2337 23.3866 176.0026 12 I 4.8950 8.3796 121.8445 59.7344 41.3666 173.9504 13 L 5.1620 9.0743 130.7768 53.5184 43.9986 175.3831 14 S 5.7594 9.1169 120.0228 55.9932 66.7430 173.5141 15 V 4.8541 8.2495 114.8875 59.2761 35.3050 175.0619 16 R 4.0726 8.4477 120.5762 56.0883 30.4709 176.6117 *26 E 4.0311 8.4648 121.4477 56.1611 29.6915 174.5072 27 L 5.0569 8.3597 125.6947 52.8080 44.7368 175.6102 28 E 4.7054 9.0101 123.8183 54.4316 32.4438 174.5945 29 I 4.7288 8.4015 127.6389 60.7296 37.4510 175.3467 30 I 4.4473 8.5702 120.5488 61.2548 39.8031 176.2254 31 S 4.7893 7.8368 117.7188 56.9283 67.3103 172.9242 32 E 5.3261 8.7226 122.0384 54.7269 33.5020 174.6478 33 I 4.8496 8.6057 116.0617 58.0548 41.6059 176.1199 34 K 4.5957 8.8462 125.3083 55.7699 30.4758 179.2100 35 N 4.7035 8.5171 126.0843 53.8121 39.4918 173.7495 36 G 4.4398 7.2256 109.3672 45.5283 0.0000 171.8376 37 L 5.2964 8.7172 123.4492 52.9374 45.4842 175.5371 38 I 4.5299 8.8785 124.2962 59.8201 40.2249 174.2144 39 C 5.0384 8.7310 126.3567 57.9240 31.4570 173.5172 40 F 4.9681 9.0799 124.9182 56.8293 39.5772 174.7764 41 L 4.9974 9.3376 128.2294 53.4143 43.9089 175.1479 42 G 4.5769 9.8725 115.4145 44.6107 0.0000 171.9683 43 I 5.3466 8.8160 125.2295 59.6126 39.7509 175.0008 44 H 3.7348 9.8114 128.0342 55.1069 30.5018 176.0552 45 K 3.7988 7.7510 125.9038 59.2237 31.9821 177.7351 46 N 4.9659 8.0393 114.1331 52.9541 39.1957 174.7184 47 D 4.6360 7.6749 117.9696 54.4478 41.4364 176.3357 48 T 4.6907 9.3670 113.4356 59.3267 71.4755 175.2559 49 W 4.7228 8.8878 130.1882 60.7357 30.5665 177.5063 50 E 3.8950 8.0580 118.2900 59.2690 28.8028 178.9332 51 D 4.3754 8.0128 118.6517 57.4066 40.8589 178.7556 52 A 3.9176 7.9219 120.6470 55.0865 18.4003 179.5058 53 L 3.4040 7.5580 117.6712 57.7463 41.5825 179.0873 54 Y 3.8444 7.7262 119.0406 60.6408 38.7960 178.0460 55 I 3.7073 7.6075 120.2041 64.6051 37.4159 178.1969 56 I 2.8966 7.5982 120.6531 64.5297 36.8554 177.9890 57 R 3.7035 8.2593 119.4224 59.2919 29.7139 178.3590 58 K 3.7362 7.8910 117.6516 59.8640 32.0270 178.8480 59 C 4.0561 7.6791 114.9933 63.2912 28.2295 176.1945 60 L 4.1970 7.8023 118.2768 56.5693 41.3609 177.5031 61 N 4.8849 7.8068 113.4577 52.7412 40.4156 175.0311 62 L 4.0871 8.7348 121.0869 55.1155 42.3586 177.0895 63 R 5.0665 8.3795 122.8922 54.6314 28.6562 176.2410 64 L 4.9365 8.2940 117.3387 53.9636 42.4542 176.5456 65 W 4.8685 7.7633 118.5598 54.7503 32.8344 174.9222 66 N 4.9751 8.4123 119.0060 52.9637 39.3839 173.9420 67 N 4.5952 9.1684 113.5209 54.0744 42.7336 173.3068 68 D 4.0802 8.7299 127.8015 55.1084 39.7591 174.8570 69 N 4.4004 9.2020 121.2221 57.4170 38.7541 175.5632 70 K 4.2539 8.1038 117.7079 56.1521 32.8480 176.3159 71 T 5.3432 8.1322 111.5885 59.6420 71.5716 173.7091 72 W 4.1727 7.8887 119.4503 57.5589 26.5723 174.0472 73 D 4.9508 8.6057 116.5601 54.3078 43.9481 176.8844 74 K 4.9701 8.1832 117.0693 54.4312 35.2848 175.6248 75 N 5.7272 9.2055 121.5431 50.1307 39.9089 176.0722 76 V 3.2540 8.8393 118.2925 64.9082 31.5384 178.7516 77 K 3.5532 8.2897 119.8283 59.1444 31.7691 178.6598 78 D 4.2773 7.5008 117.7259 56.8455 40.7503 178.2605 79 L 4.0672 7.0508 115.4622 52.9347 42.1892 175.6665 80 N 4.3152 7.7875 114.7649 53.5137 36.5931 173.8943 81 Y 4.8680 7.8945 115.4462 57.4699 40.0461 174.6533 82 E 5.0870 8.9578 118.9227 54.8390 33.6573 175.3788 83 L 5.1905 8.8606 120.3756 52.9036 45.6118 175.6639 84 L 5.0201 8.8048 125.0806 53.5022 44.2022 174.9271 85 I 4.6653 8.3383 128.2571 59.7431 39.2247 175.1322 86 V 4.6547 8.8264 127.3867 60.7072 34.1488 174.7149 87 S 4.8417 9.0226 123.1982 59.2460 63.2215 174.4341 88 Q 4.5571 9.3535 127.3944 54.4887 29.6369 174.5777 89 F 4.4621 8.5043 119.5547 59.3451 38.5743 178.2925 90 T 3.8655 6.8134 110.6854 63.5014 68.4719 175.8705 91 L 3.9243 7.8614 122.1544 57.3228 41.6509 177.7287 92 F 4.7194 8.4057 116.0241 56.9600 38.9317 175.6716 93 G 3.8448 8.1536 110.8356 45.8377 0.0000 173.1581 94 N 4.5472 9.3672 126.7508 53.2031 39.4318 175.3966 95 T 4.6682 8.4400 115.7957 61.7005 69.9271 175.3567 96 K 3.9317 8.5360 127.0039 57.9781 31.7133 182.0379 97 K 4.3535 7.9850 122.0514 53.5978 32.6146 178.6818 98 G 3.9082 8.6923 114.0072 44.1100 0.0000 171.6772 99 N 4.7876 8.4188 113.2435 52.6720 40.0881 174.7544 100 K 4.2744 7.7857 120.2170 54.6002 33.0771 174.4268 101 P 4.5536 0.0000 0.0000 62.1959 32.3510 175.3399 102 D 4.0401 7.8249 118.7060 51.5105 42.3509 175.8915 103 F 5.3883 7.9216 118.4688 57.6954 39.8809 177.0582 104 H 4.2674 8.4605 121.2480 59.1847 28.7693 177.0076 105 L 3.9498 7.9713 117.8796 56.6915 41.9138 176.7482 106 A 4.1595 7.9520 120.8121 51.2513 18.9557 177.5760 107 K 4.1366 8.3814 121.9905 55.9854 33.5051 176.2016 108 E 4.1035 8.5998 124.9637 55.4371 30.5121 175.5116 109 P 4.4779 0.0000 0.0000 66.2661 30.3127 178.6229 110 N 4.4423 9.8454 116.0562 55.7064 38.3645 176.8251 111 E 4.3533 7.7036 116.4044 57.9992 30.4023 177.8974 112 A 4.1247 8.2844 121.4613 55.5072 18.2852 179.2867 113 L 2.7376 7.6050 118.2676 57.9473 42.1194 179.0870 114 I 3.6807 7.0805 115.4748 64.1246 38.0216 177.6012 115 F 4.3413 8.8607 121.8744 61.6253 39.1753 176.4367 116 Y 4.1758 8.8725 119.5098 60.5855 38.5224 177.8322 117 N 4.2494 8.2303 117.5238 56.5039 38.8160 177.5251 118 K 3.9556 7.7368 119.6346 59.6859 32.0507 178.9561 119 I 3.7676 7.8033 119.7657 64.4135 37.1332 178.6114 120 I 3.7878 7.7109 120.6603 64.4467 36.9239 177.9505 121 D 4.4202 8.4751 120.1454 57.6510 40.7048 178.7375 122 E 4.0511 8.2717 119.4086 59.4263 29.4139 178.7108 123 F 4.2597 8.3691 117.2185 60.5618 39.3291 177.5108 124 K 4.2061 8.0715 117.7246 59.1674 31.8041 179.2523 125 K 4.0302 8.4552 119.3008 59.0570 32.1370 177.8233 126 Q 4.5716 7.9781 115.5674 53.9178 28.8659 174.3123 127 Y 5.1689 8.5345 123.5312 57.5858 43.4074 175.7768 128 N 4.9185 8.7937 113.5839 51.6481 42.8412 173.0324 129 D 4.3050 8.8750 124.9158 57.5657 41.2195 176.9022 130 D 4.5785 9.1729 116.6182 54.8714 41.1830 176.7453 131 K 4.3260 7.7645 118.1978 56.1416 33.5903 175.7164 132 I 4.5971 7.5401 121.4540 59.6599 38.5460 175.1234 133 K 4.6783 9.0814 127.7662 54.9021 34.5564 175.8032 134 I 5.0434 7.5476 114.9026 57.9836 40.9129 175.2570 135 G 4.1059 8.3125 112.0339 46.1328 0.0000 175.7926 136 K 4.5410 8.4615 121.7474 53.6678 33.1031 174.6124 137 F 3.6900 8.5834 125.5808 59.2878 39.8709 174.4028 138 G 4.0333 8.0292 118.1654 45.6869 0.0000 173.9980 139 N 4.5477 7.3701 115.0771 52.4751 39.1474 174.4015 140 Y 4.0878 8.4436 122.0295 58.2414 39.4844 175.2572 141 M 4.9529 7.1266 124.5804 53.4885 36.5223 173.7696 142 N 4.9314 9.5105 120.6581 51.8858 41.9690 173.3922 143 I 5.0358 8.1575 125.5097 59.8288 40.9922 174.2194 144 D 4.7572 8.8545 127.9715 53.3399 42.2973 175.7819 145 V 4.5533 8.3090 122.9448 61.4144 34.5010 175.0467 146 T 4.3666 8.3658 125.6248 62.4217 69.0213 173.4962 147 N 4.9865 8.6204 124.7579 52.8845 39.4365 174.7001 148 D 4.3233 9.9838 125.4693 56.5948 41.0301 173.8938 149 G 3.5645 9.0374 118.7544 44.8211 0.0000 171.3196 150 P 4.4445 0.0000 0.0000 61.6484 32.6435 175.7696 151 V 4.4044 8.0767 117.0757 61.6739 34.3274 173.7802 152 T 5.1858 8.7045 124.6006 61.8177 70.9189 173.7368 153 I 4.6295 8.8825 127.1036 59.5285 40.5302 173.8396 154 Y 5.2474 8.6848 126.7152 55.8691 41.3468 174.5555 155 I 4.3860 8.1278 126.7186 59.3771 41.2600 173.6517 156 D 5.0589 8.3007 126.8102 52.4964 42.5482 177.0289 157 T 3.6355 9.2116 118.0163 64.8368 68.9876 175.8981 158 H 4.2828 8.0105 116.7254 57.3309 28.4508 175.3140 159 D 4.6925 8.0481 121.5675 54.8968 40.9148 177.2675 160 I 4.1063 7.8510 123.7954 59.9229 36.3954 179.7435 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 8.16 5.09 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.29 4.94 0.00 1.30 1.63 0.00 2.21 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 3 V 8.66 4.99 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 0.72 0.00 0.00 1.09 0.00 0.00 4 V 8.82 4.87 2.31 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 1.23 0.00 0.00 1.14 0.00 0.00 5 I 8.96 4.98 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.93 0.00 0.00 6 Q 9.06 5.08 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 7 R 8.54 4.47 0.00 1.69 1.80 0.00 2.21 0.00 0.00 2.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.00 8 V 9.04 5.08 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 0.74 0.00 0.00 1.01 0.00 0.00 9 K 8.49 4.18 0.00 1.65 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.25 7.81 10 G 7.61 4.52 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 0.00 11 A 8.02 4.83 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 12 I 8.38 4.89 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 1.23 0.64 0.91 0.00 0.00 13 L 9.07 5.16 0.00 1.67 1.51 0.90 0.55 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 14 S 9.12 5.76 0.00 3.88 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 15 V 8.25 4.85 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 0.81 0.00 0.00 0.97 0.00 0.00 16 R 8.45 4.07 0.00 1.86 1.87 0.00 3.11 0.00 0.00 3.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 *26 E 8.46 4.03 0.00 1.93 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 2.19 2.41 0.00 27 L 8.36 5.06 0.00 1.56 1.57 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.01 4.71 0.00 2.03 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 2.21 2.26 0.00 29 I 8.40 4.73 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 1.41 0.69 0.96 0.00 0.00 30 I 8.57 4.45 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.93 0.00 0.00 31 S 7.84 4.79 0.00 3.73 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.72 5.33 0.00 1.77 1.76 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 2.19 2.28 0.00 33 I 8.61 4.85 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 1.19 0.92 0.92 0.00 0.00 34 K 8.85 4.60 0.00 1.88 0.99 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.50 7.81 35 N 8.52 4.70 0.00 1.44 1.42 0.00 0.00 6.72 7.99 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 36 G 7.23 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 0.00 0.00 0.00 0.00 37 L 8.72 5.30 0.00 1.64 1.58 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.88 4.53 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 1.53 0.92 0.00 0.00 39 C 8.73 5.04 0.00 2.75 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 40 F 9.08 4.97 0.00 3.02 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 41 L 9.34 5.00 0.00 1.92 1.78 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.87 4.58 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 43 I 8.82 5.35 2.20 0.00 0.00 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 1.72 1.43 1.21 0.00 0.00 44 H 9.81 3.73 0.00 2.95 3.33 0.00 5.60 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 45 K 7.75 3.80 0.00 1.76 1.72 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.36 7.81 46 N 8.04 4.97 0.00 2.74 2.78 0.00 0.00 6.93 8.06 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 47 D 7.67 4.64 0.00 2.56 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.37 4.69 4.36 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 1.24 0.00 0.00 49 W 8.89 4.72 0.00 3.48 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.06 3.90 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 51 D 8.01 4.38 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.92 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.56 3.40 0.00 1.42 1.45 0.73 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.73 3.84 0.00 3.14 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 55 I 7.61 3.71 1.96 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 1.82 1.27 1.00 0.00 0.00 56 I 7.60 2.90 1.46 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.01 0.50 0.00 0.00 57 R 8.26 3.70 0.00 1.81 1.65 0.00 2.99 0.00 0.00 2.99 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 58 K 7.89 3.74 0.00 1.71 1.77 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.42 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.93 1.27 7.81 59 C 7.68 4.06 0.00 3.40 3.23 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 60 L 7.80 4.20 0.00 1.77 1.63 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.81 4.88 0.00 2.70 2.76 0.00 0.00 7.03 7.27 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 62 L 8.73 4.09 0.00 1.71 1.64 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.38 5.07 0.00 2.06 2.08 0.00 3.42 0.00 0.00 3.36 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 64 L 8.29 4.94 0.00 0.89 1.41 0.84 1.03 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 65 W 7.76 4.87 0.00 3.53 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 66 N 8.41 4.98 0.00 2.69 2.68 0.00 0.00 6.51 6.92 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 67 N 9.17 4.60 0.00 2.65 2.73 0.00 0.00 7.70 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 68 D 8.73 4.08 0.00 2.83 2.29 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 69 N 9.20 4.40 0.00 2.71 2.91 0.00 0.00 6.79 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 70 K 8.10 4.25 0.00 1.94 1.74 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.38 7.81 71 T 8.13 5.34 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 1.15 0.00 0.00 72 W 7.89 4.17 0.00 3.45 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 73 D 8.61 4.95 0.00 2.66 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 K 8.18 4.97 0.00 1.73 1.57 0.00 1.62 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.27 7.81 75 N 9.21 5.73 0.00 3.07 3.13 0.00 0.00 6.58 7.30 0.00 0.00 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 V 8.84 3.25 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 0.86 0.00 0.00 1.16 0.00 0.00 77 K 8.29 3.55 0.00 1.76 1.57 0.00 1.36 0.00 0.00 1.25 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.18 7.81 78 D 7.50 4.28 0.00 2.64 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 79 L 7.05 4.07 0.00 0.27 0.22 -0.25 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.79 4.32 0.00 2.83 2.92 0.00 0.00 6.95 8.25 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 81 Y 7.89 4.87 0.00 2.73 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 82 E 8.96 5.09 0.00 1.90 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 2.20 2.28 0.00 83 L 8.86 5.19 0.00 1.42 1.31 1.11 0.83 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 84 L 8.80 5.02 0.00 1.64 1.40 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.34 4.67 1.71 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.15 0.94 0.00 0.00 86 V 8.83 4.65 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 1.07 0.00 0.00 0.80 0.00 0.00 87 S 9.02 4.84 0.00 3.82 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.35 4.56 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 89 F 8.50 4.46 0.00 3.32 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 90 T 6.81 3.87 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 0.26 0.00 0.00 91 L 7.86 3.92 0.00 1.52 1.40 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.41 4.72 0.00 3.40 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.15 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 94 N 9.37 4.55 0.00 2.73 2.81 0.00 0.00 6.41 7.11 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 95 T 8.44 4.67 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 1.24 0.00 0.00 96 K 8.54 3.93 0.00 1.80 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.02 7.81 97 K 7.99 4.35 0.00 1.75 1.63 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 0.97 7.81 98 G 8.69 3.91 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 0.00 0.00 0.00 99 N 8.42 4.79 0.00 2.68 2.83 0.00 0.00 6.72 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 0.00 100 K 7.79 4.27 0.00 1.69 1.66 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.45 7.81 101 P 0.00 4.55 0.00 1.94 1.95 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 102 D 7.82 4.04 0.00 2.59 2.47 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 0.00 103 F 7.92 5.39 0.00 3.09 3.23 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 0.00 104 H 8.46 4.27 0.00 3.17 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.97 3.95 0.00 1.75 1.44 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.95 4.16 1.53 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 0.00 107 K 8.38 4.14 0.00 2.09 1.78 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.46 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.30 7.81 108 E 8.60 4.10 0.00 2.05 1.80 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 2.37 2.28 0.00 109 P 0.00 4.48 0.00 2.24 2.16 0.00 3.65 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 2.06 2.08 0.00 110 N 9.85 4.44 0.00 3.01 2.89 0.00 0.00 6.98 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 0.00 111 E 7.70 4.35 0.00 1.99 1.98 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 2.26 2.31 0.00 112 A 8.28 4.12 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.61 2.74 0.00 1.28 1.51 0.71 0.96 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 0.00 114 I 7.08 3.68 1.88 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 1.42 1.06 1.01 0.00 0.00 115 F 8.86 4.34 0.00 3.20 3.33 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 0.00 116 Y 8.87 4.18 0.00 3.16 2.94 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 0.00 117 N 8.23 4.25 0.00 2.97 2.85 0.00 0.00 6.96 7.57 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 0.00 118 K 7.74 3.96 0.00 2.02 1.66 0.00 1.55 0.00 0.00 1.04 0.00 0.00 2.66 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.06 1.36 7.81 119 I 7.80 3.77 1.92 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 1.23 0.55 0.92 0.00 0.00 120 I 7.71 3.79 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.97 0.87 0.00 0.00 121 D 8.48 4.42 0.00 2.87 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 0.00 122 E 8.27 4.05 0.00 2.55 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 0.00 2.24 2.24 0.00 123 F 8.37 4.26 0.00 3.24 2.97 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 0.00 124 K 8.07 4.21 0.00 2.04 1.85 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 125 K 8.46 4.03 0.00 1.88 2.03 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 126 Q 7.98 4.57 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 127 Y 8.53 5.17 0.00 2.97 2.65 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 0.00 128 N 8.79 4.92 0.00 2.42 1.62 0.00 0.00 6.50 8.49 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 0.00 129 D 8.87 4.31 0.00 2.63 2.65 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 0.00 130 D 9.17 4.58 0.00 2.62 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 0.00 131 K 7.76 4.33 0.00 1.06 1.68 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 0.83 7.81 132 I 7.54 4.60 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.73 0.00 0.00 133 K 9.08 4.68 0.00 1.77 1.67 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.39 7.81 134 I 7.55 5.04 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.46 0.86 0.00 0.00 135 G 8.31 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 0.00 136 K 8.46 4.54 0.00 1.78 1.68 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 137 F 8.58 3.69 0.00 2.64 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 0.00 138 G 8.03 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 0.00 139 N 7.37 4.55 0.00 2.89 2.81 0.00 0.00 7.01 8.57 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 0.00 140 Y 8.44 4.09 0.00 2.94 2.88 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 0.00 141 M 7.13 4.95 0.00 1.76 1.70 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 142 N 9.51 4.93 0.00 2.86 2.75 0.00 0.00 7.07 6.52 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 0.00 143 I 8.16 5.04 1.92 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 1.33 0.74 0.91 0.00 0.00 144 D 8.85 4.76 0.00 2.62 2.59 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 0.00 145 V 8.31 4.55 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 0.98 0.00 0.00 146 T 8.37 4.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 N 8.62 4.99 0.00 2.62 2.78 0.00 0.00 7.01 8.06 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 0.00 148 D 9.98 4.32 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 9.04 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.44 0.00 2.20 2.10 0.00 3.72 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 2.00 1.96 0.00 151 V 8.08 4.40 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.92 0.00 0.00 152 T 8.70 5.19 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 1.27 0.00 0.00 153 I 8.88 4.63 1.89 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 1.12 1.08 0.92 0.00 0.00 154 Y 8.68 5.25 0.00 2.90 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 0.00 155 I 8.13 4.39 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 1.00 0.00 0.00 156 D 8.30 5.06 0.00 2.77 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 0.00 157 T 9.21 3.64 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 1.39 0.00 0.00 158 H 8.01 4.28 0.00 3.25 3.40 0.00 5.84 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 0.00 159 D 8.05 4.69 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.85 4.11 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 1.16 0.76 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.