NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 R 4.1248 8.2501 117.2805 55.3343 30.7027 174.6150 43 A 3.5905 8.5111 121.6134 52.5797 17.8559 176.2688 44 Q 4.4199 9.1380 123.8789 55.3195 29.9361 173.8474 45 H 4.7538 8.3352 119.8203 54.8607 30.1663 176.4626 46 I 4.4316 7.9558 123.6040 60.5237 36.1622 174.0503 47 V 3.9757 8.4682 126.1963 61.5676 32.6527 173.2544 48 P 5.0143 0.0000 0.0000 62.5936 32.2886 175.1801 49 C 5.1752 9.2028 118.6263 58.6216 32.8294 173.9182 50 T 4.4978 8.9047 111.5105 60.8722 69.8532 175.9867 51 I 3.6913 8.8733 125.3239 64.7830 36.9773 178.8160 52 S 4.1301 8.2115 114.9542 61.6661 62.3734 176.8290 53 Q 3.9193 7.8079 120.6121 58.5505 28.5510 178.0452 54 L 4.0378 7.8263 118.3238 57.9752 41.8654 179.2406 55 L 4.1216 8.1999 118.9928 57.8141 41.4117 179.2357 56 S 4.3745 8.0360 111.7703 58.6791 63.0561 174.5516 57 A 4.4464 7.1628 125.8623 52.0198 19.0167 177.1419 58 T 4.6420 8.6203 111.2085 59.8816 71.3200 174.6542 59 L 3.9808 8.4077 130.5378 54.2783 41.7218 177.4376 60 V 3.6735 7.4059 118.7326 63.7610 32.1269 174.7785 61 D 4.3141 8.6429 128.3327 56.6679 36.9411 174.5245 62 E 3.7004 8.2159 113.1441 56.6376 27.7237 174.8646 63 V 4.2808 7.0402 117.6311 59.6371 33.6625 175.3215 64 F 4.6801 8.6260 124.5324 57.2211 40.1986 174.2910 65 R 5.0902 8.8678 124.3643 54.6772 33.1500 174.9085 66 I 4.3594 8.5207 124.8958 60.9624 40.4491 174.8766 67 G 4.1250 9.7994 123.1268 43.8567 0.0000 172.5109 68 N 4.4906 7.2982 120.2203 51.8923 38.9667 174.5172 69 V 3.8281 7.2593 121.1464 62.3523 31.9594 174.8096 70 E 4.7365 8.7005 127.7095 56.1981 30.1306 175.9033 71 I 4.9191 8.5725 116.6169 60.1330 40.9629 173.9326 72 S 4.9878 8.6086 116.3921 59.6116 70.0800 174.2782 73 Q 4.8862 8.0980 122.2440 54.3367 29.8304 175.1640 74 V 5.5349 9.0871 116.9359 59.0247 36.4519 174.3331 75 T 5.1571 8.5054 112.7889 59.9811 71.5105 172.9817 76 I 4.8493 8.6793 117.0329 59.2292 41.6937 174.1047 77 V 4.6586 7.8877 122.0340 61.6577 34.3834 175.0572 78 G 4.1012 8.2686 112.8707 46.2770 0.0000 171.1013 79 I 4.4479 7.8218 120.3287 58.7752 41.1214 176.2646 80 I 3.9153 7.8656 129.8702 61.5573 37.1736 176.2087 81 R 4.1725 9.1513 128.9478 57.0067 29.9324 175.7533 82 H 5.0621 7.9435 115.8668 54.3989 32.5739 173.2915 83 A 4.5044 8.5904 127.1495 51.9138 20.0946 176.9480 84 E 4.2128 7.7344 120.4032 55.1974 31.9984 174.9475 85 K 4.4847 8.5185 126.3210 56.7380 33.3394 176.0749 86 A 4.4475 8.2332 123.3944 50.6519 22.9147 174.3286 87 P 3.8942 0.0000 0.0000 66.6570 30.3376 177.9444 88 T 4.7746 8.3574 104.6814 57.8645 67.6737 174.4142 89 N 4.6808 7.4617 119.9101 53.5947 40.3157 175.5177 90 I 4.4840 8.5245 120.0312 59.4940 41.4038 173.7127 91 V 4.6154 8.5894 130.1690 61.5863 33.1147 173.9133 92 Y 4.9959 8.7358 126.4197 56.7631 40.4195 175.1451 93 K 4.9826 9.2937 122.4461 55.2210 33.9671 175.4945 94 I 4.9237 8.7371 126.5620 59.3896 40.6936 174.5232 95 D 4.9115 8.9927 125.4881 52.8421 44.0996 174.5171 96 D 4.9889 8.5007 127.2387 52.1428 41.5341 175.8327 97 M 4.2467 8.8227 114.7393 58.8785 31.2519 178.2103 98 T 3.9201 8.6470 108.2969 62.8880 69.1269 173.2741 99 A 4.1902 7.0637 122.4886 51.6577 22.9246 175.3908 100 A 4.1023 8.5759 121.2827 51.8741 18.8297 175.9983 101 P 4.5660 0.0000 0.0000 63.2487 32.2418 175.3320 102 M 4.7800 8.8423 121.5765 53.6677 35.9832 174.2627 103 D 4.9698 8.5017 122.8831 53.9526 42.5376 175.3993 104 V 4.4764 8.9790 124.4927 61.2022 34.0877 174.2510 105 R 4.7229 9.1014 128.4491 54.7759 32.1266 175.4066 106 Q 4.5796 8.6353 124.5697 54.0209 32.2925 173.7094 107 W 5.3523 8.7344 126.3250 55.6860 30.5642 175.7091 108 V 4.2660 8.5003 124.0073 62.7356 32.8820 174.9694 109 D 4.3836 9.1881 127.2197 56.5875 41.6878 174.7369 *118 T 4.4719 7.3624 110.4630 62.9273 69.5401 178.3447 119 V 3.8056 8.6624 127.2405 62.1156 31.9391 175.8235 120 V 3.7483 8.6744 123.2668 61.6674 31.4434 174.1811 121 P 4.2282 0.0000 0.0000 62.6442 31.2176 174.4522 122 P 4.2612 0.0000 0.0000 64.1826 31.7620 176.2160 123 E 3.8783 8.8011 119.0092 56.5627 27.6444 174.2979 124 T 4.6644 7.2584 109.5317 59.7765 71.6534 173.0337 125 Y 4.3117 8.5594 123.1082 58.1398 39.2625 175.1330 126 V 4.9771 9.2035 116.6127 59.4959 36.8895 174.0686 127 K 5.0242 8.9761 123.0285 54.7087 35.1437 174.9234 128 V 4.7861 8.7949 125.8288 60.9898 35.0347 173.6568 129 A 4.7641 8.3689 129.8324 50.3548 21.5095 175.7755 130 G 4.0593 8.2117 108.6264 46.2189 0.0000 170.9647 131 H 5.5344 8.9302 117.0634 53.6808 31.6206 173.7230 132 L 4.5394 8.6446 126.2153 54.9928 42.4350 176.1948 133 R 4.9814 9.0566 125.3972 53.9961 34.3581 176.0006 134 S 5.6102 8.1609 115.3751 56.8803 62.8008 175.7252 135 F 4.2561 8.6255 118.9586 59.8023 39.0707 176.5181 136 Q 4.4319 8.1531 117.4415 55.0055 28.8988 176.4838 137 N 4.4641 8.0570 116.0715 53.9214 40.0799 174.0362 138 K 4.2969 7.5740 119.3619 55.6033 33.1578 175.4291 139 K 4.8440 8.4475 125.8009 56.4369 33.2262 175.9835 140 S 4.6618 9.1136 117.6042 57.8094 67.1584 172.6103 141 L 4.9688 8.6785 119.9289 53.1188 44.1539 176.3996 142 V 4.3361 8.8455 123.6604 61.3233 32.7599 174.0298 143 A 4.6744 8.7307 131.1174 51.0317 19.6476 176.0775 144 F 4.6503 8.2435 117.7950 58.6516 38.7957 175.8317 145 K 4.2445 7.0177 121.4023 55.0316 33.4177 175.0169 146 I 4.7756 8.3526 127.8363 59.7307 40.1642 174.7762 147 M 4.6091 9.0629 127.8760 52.7541 34.9810 172.7543 148 P 4.5062 0.0000 0.0000 63.1399 31.9351 176.5972 149 L 4.1361 8.7176 124.3779 55.4370 41.9163 176.6413 150 E 4.3396 9.0317 120.6814 57.5379 31.1200 176.1467 151 D 4.6897 7.9875 119.2790 51.7799 42.9593 175.8820 152 M 4.2788 8.7557 127.0053 57.8960 31.8279 178.1492 153 N 4.3961 8.5099 117.2657 56.0481 38.6335 176.7572 154 E 3.9361 8.7249 120.6232 59.5658 29.4714 179.0433 155 F 4.2137 8.2936 119.8328 61.7473 39.4705 177.1212 156 T 3.2972 7.3766 114.4115 66.7093 68.1449 176.6800 157 T 3.7697 7.9114 117.7687 66.8687 68.3973 175.7979 158 H 4.0017 8.5764 120.3984 59.5122 29.8588 177.0500 159 I 3.5475 7.2149 121.2778 64.5017 36.9573 178.4624 160 L 3.9682 7.6707 119.3773 57.5825 41.3094 179.4401 161 E 3.8619 8.7526 119.5056 59.5647 29.4746 179.0562 162 V 3.6079 7.8420 118.3383 66.4515 30.9987 177.7797 163 I 3.6726 7.6601 118.5433 64.5363 36.9743 178.0935 164 N 4.2600 8.1487 117.2547 56.5684 38.8500 176.6123 165 A 3.9331 8.5799 122.5651 55.8541 18.5912 179.4055 166 H 4.0169 8.3428 114.1955 58.8759 28.8034 177.9449 167 M 3.9778 7.6635 119.5229 58.6908 32.0629 178.2199 168 V 3.5319 7.9051 118.3828 65.9088 31.5240 177.5198 169 L 3.9388 7.8472 118.2769 58.0167 41.9015 179.6334 170 S 4.2739 7.9652 113.4940 61.6425 62.7102 176.6613 171 K 3.9536 7.7354 120.6940 58.7891 31.8912 178.7562 172 A 4.1760 8.5016 119.7935 53.5297 18.8374 177.7501 173 N 4.8499 7.6058 115.8659 51.3613 39.1810 175.4838 174 S 4.5197 6.9141 110.9507 58.1550 67.1014 176.8098 175 Q 4.2057 8.8354 124.8042 56.1984 28.9908 174.9274 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 42 R 8.25 4.12 0.00 1.94 2.01 0.00 3.01 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 43 A 8.51 3.59 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 44 Q 9.14 4.42 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 45 H 8.34 4.75 0.00 3.15 3.21 0.00 5.69 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 46 I 7.96 4.43 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.98 0.00 0.00 47 V 8.47 3.98 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 0.81 0.00 0.00 0.97 0.00 0.00 48 P 0.00 5.01 0.00 2.05 2.06 0.00 3.37 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 49 C 9.20 5.18 0.00 2.78 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 50 T 8.90 4.50 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 1.19 0.00 0.00 51 I 8.87 3.69 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 1.55 0.73 0.89 0.00 0.00 52 S 8.21 4.13 0.00 4.04 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 0.00 53 Q 7.81 3.92 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 54 L 7.83 4.04 0.00 1.75 1.64 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.20 4.12 0.00 1.77 1.69 0.90 0.69 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 56 S 8.04 4.37 0.00 3.95 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 57 A 7.16 4.45 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 58 T 8.62 4.64 4.28 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 1.24 0.00 0.00 59 L 8.41 3.98 0.00 1.68 1.64 -0.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.41 3.67 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 0.83 0.00 0.00 0.92 0.00 0.00 61 D 8.64 4.31 0.00 2.89 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 62 E 8.22 3.70 0.00 1.95 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 2.17 2.20 0.00 63 V 7.04 4.28 2.03 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 0.77 0.00 0.00 0.99 0.00 0.00 64 F 8.63 4.68 0.00 3.32 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 65 R 8.87 5.09 0.00 1.93 1.79 0.00 3.05 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 66 I 8.52 4.36 1.90 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 1.16 1.20 1.05 0.00 0.00 67 G 9.80 4.12 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 0.00 68 N 7.30 4.49 0.00 2.82 2.90 0.00 0.00 5.97 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 69 V 7.26 3.83 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 0.92 0.00 0.00 0.96 0.00 0.00 70 E 8.70 4.74 0.00 2.03 1.90 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 2.33 2.31 0.00 71 I 8.57 4.92 1.91 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 1.37 0.76 0.95 0.00 0.00 72 S 8.61 4.99 0.00 4.03 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 0.00 73 Q 8.10 4.89 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 74 V 9.09 5.53 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 0.93 0.00 0.00 0.89 0.00 0.00 75 T 8.51 5.16 4.26 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 1.23 0.00 0.00 76 I 8.68 4.85 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 1.05 1.09 0.97 0.00 0.00 77 V 7.89 4.66 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 1.12 0.00 0.00 0.71 0.00 0.00 78 G 8.27 4.10 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 0.00 0.00 0.00 79 I 7.82 4.45 0.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.50 0.69 0.00 0.00 80 I 7.87 3.92 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.53 1.00 0.00 0.00 81 R 9.15 4.17 0.00 1.67 1.87 0.00 3.23 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 82 H 7.94 5.06 0.00 3.17 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.59 4.50 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 84 E 7.73 4.21 0.00 1.82 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 2.15 2.25 0.00 85 K 8.52 4.48 0.00 1.63 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 86 A 8.23 4.45 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 3.89 0.00 2.19 1.97 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 88 T 8.36 4.77 4.35 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 1.26 0.00 0.00 89 N 7.46 4.68 0.00 2.87 3.40 0.00 0.00 6.03 7.81 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 90 I 8.52 4.48 1.75 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.43 0.93 0.00 0.00 91 V 8.59 4.62 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 0.86 0.00 0.00 0.86 0.00 0.00 92 Y 8.74 5.00 0.00 2.95 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 93 K 9.29 4.98 0.00 1.74 1.75 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.60 7.81 94 I 8.74 4.92 1.82 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 0.97 0.78 0.83 0.00 0.00 95 D 8.99 4.91 0.00 2.67 2.37 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 96 D 8.50 4.99 0.00 2.82 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 97 M 8.82 4.25 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 98 T 8.65 3.92 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 1.23 0.00 0.00 99 A 7.06 4.19 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 0.00 100 A 8.58 4.10 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 0.00 101 P 0.00 4.57 0.00 1.94 1.99 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 102 M 8.84 4.78 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 103 D 8.50 4.97 0.00 2.63 2.56 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 0.00 104 V 8.98 4.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.90 0.00 0.00 105 R 9.10 4.72 0.00 1.51 1.32 0.00 3.09 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 106 Q 8.64 4.58 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 107 W 8.73 5.35 0.00 3.43 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 0.00 108 V 8.50 4.27 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 0.87 0.00 0.00 1.00 0.00 0.00 109 D 9.19 4.38 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *118 T 7.36 4.47 4.26 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 1.22 0.00 0.00 119 V 8.66 3.81 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 0.71 0.00 0.00 0.99 0.00 0.00 120 V 8.67 3.75 1.92 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 0.70 0.00 0.00 0.94 0.00 0.00 121 P 0.00 4.23 0.00 2.21 2.09 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 122 P 0.00 4.26 0.00 2.07 2.23 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 123 E 8.80 3.88 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 124 T 7.26 4.66 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 1.22 0.00 0.00 125 Y 8.56 4.31 0.00 2.92 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 0.00 126 V 9.20 4.98 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 0.68 0.00 0.00 0.79 0.00 0.00 127 K 8.98 5.02 0.00 1.75 1.70 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.27 7.81 128 V 8.79 4.79 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 0.86 0.00 0.00 0.79 0.00 0.00 129 A 8.37 4.76 0.76 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 0.00 0.00 130 G 8.21 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 0.00 0.00 0.00 131 H 8.93 5.53 0.00 3.12 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.64 4.54 0.00 1.49 1.40 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 133 R 9.06 4.98 0.00 1.84 2.05 0.00 3.77 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 134 S 8.16 5.61 0.00 3.88 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 0.00 135 F 8.63 4.26 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.15 4.43 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.04 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 137 N 8.06 4.46 0.00 2.91 2.99 0.00 0.00 7.03 5.98 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 0.00 138 K 7.57 4.30 0.00 1.85 1.69 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.46 7.81 139 K 8.45 4.84 0.00 1.63 1.60 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.32 7.81 140 S 9.11 4.66 0.00 3.96 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 0.00 141 L 8.68 4.97 0.00 1.54 1.52 0.83 0.77 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 0.00 142 V 8.85 4.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.86 0.00 0.00 143 A 8.73 4.67 1.11 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 0.00 144 F 8.24 4.65 0.00 3.11 3.11 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 0.00 145 K 7.02 4.24 0.00 1.91 1.48 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.47 7.81 146 I 8.35 4.78 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 1.10 0.71 0.68 0.00 0.00 147 M 9.06 4.61 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 148 P 0.00 4.51 0.00 1.96 1.98 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 149 L 8.72 4.14 0.00 1.79 1.61 0.95 1.01 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 0.00 150 E 9.03 4.34 0.00 2.19 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 2.23 2.21 0.00 151 D 7.99 4.69 0.00 2.64 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 0.00 152 M 8.76 4.28 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 153 N 8.51 4.40 0.00 3.19 2.86 0.00 0.00 6.83 7.72 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 0.00 154 E 8.72 3.94 0.00 2.08 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 2.35 2.35 0.00 155 F 8.29 4.21 0.00 3.01 3.22 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 0.00 156 T 7.38 3.30 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 1.08 0.00 0.00 157 T 7.91 3.77 4.28 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 1.24 0.00 0.00 158 H 8.58 4.00 0.00 3.18 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.21 3.55 1.77 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 1.36 0.50 0.80 0.00 0.00 160 L 7.67 3.97 0.00 1.84 1.66 0.86 0.79 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 0.00 161 E 8.75 3.86 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 162 V 7.84 3.61 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.83 0.00 0.00 163 I 7.66 3.67 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.89 0.00 0.00 164 N 8.15 4.26 0.00 3.06 2.77 0.00 0.00 7.07 7.72 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 0.00 165 A 8.58 3.93 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 0.00 166 H 8.34 4.02 0.00 3.18 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 M 7.66 3.98 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 168 V 7.91 3.53 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 0.96 0.00 0.00 0.96 0.00 0.00 169 L 7.85 3.94 0.00 1.66 1.72 0.82 0.74 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 0.00 170 S 7.97 4.27 0.00 4.15 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.74 3.95 0.00 1.91 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.80 7.81 172 A 8.50 4.18 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 0.00 173 N 7.61 4.85 0.00 2.86 2.83 0.00 0.00 6.82 7.12 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 0.00 174 S 6.91 4.52 0.00 3.79 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 0.00 175 Q 8.84 4.21 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.