NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4052 8.3344 115.3001 57.5044 63.2370 172.7522 5 R 4.1869 8.7422 125.8780 55.7194 35.2856 173.6862 6 N 4.4259 7.8903 115.0949 55.7106 39.4052 176.8609 7 L 3.9644 7.9359 121.6816 58.2021 42.4040 178.4503 8 L 4.0195 8.2213 118.2475 58.0225 41.3339 179.2789 9 A 4.0240 7.9476 119.1962 55.3493 17.8827 179.4736 10 I 3.8380 7.7858 118.1620 64.4599 37.1733 178.7540 11 V 3.8378 8.3123 119.6048 66.1671 31.2418 177.3842 12 H 4.0663 8.2111 117.9062 59.1058 29.6886 175.5772 13 P 4.2571 0.0000 0.0000 65.2434 31.1021 178.7369 14 I 3.6939 7.2772 119.5390 64.2250 36.7862 178.2625 15 L 3.9327 7.7305 118.5179 57.8694 41.5573 179.3631 16 R 4.0419 7.7494 116.5531 59.6019 30.3073 178.6142 17 N 4.5245 8.3283 116.1260 55.9158 38.3491 177.6055 18 L 4.1975 7.7690 119.8422 55.5214 41.1436 178.4658 *20 E 4.2295 8.1478 118.3229 55.9104 31.4126 177.9877 21 E 4.1851 8.5346 118.8682 58.7657 29.8519 177.7997 22 S 4.1063 8.3690 112.8663 58.6241 63.6847 175.4753 23 G 4.0053 7.7946 107.6467 45.3960 0.0000 172.3797 24 E 4.9339 8.0166 118.4429 53.9754 33.8767 175.5418 25 T 4.2735 8.5010 117.5234 64.2883 69.8486 173.4453 26 V 4.8215 8.8383 124.5866 61.5345 34.9544 174.1903 27 N 5.3279 9.0497 124.1815 50.8964 42.6538 173.0808 *29 A 4.6182 8.4713 120.5863 53.2013 20.7163 176.5452 30 V 4.8886 8.4923 111.8036 59.2958 35.9154 174.5706 31 L 4.0934 7.8315 124.1620 54.0115 43.0249 175.6372 32 D 4.4212 9.1654 127.0244 53.8027 41.0591 176.8879 33 Q 3.8270 8.6702 126.6321 58.4724 28.4038 177.5899 34 S 4.0746 7.3239 112.9681 60.1877 63.2325 174.3882 35 D 4.5409 7.9970 122.8348 52.1932 40.3157 176.6087 36 H 3.9794 8.8135 116.0096 56.7540 27.1259 174.6346 37 E 4.3947 8.1054 118.7270 56.4537 30.8573 175.6242 38 A 4.8746 8.8672 124.9406 50.7739 21.1452 176.0696 39 I 4.6960 8.7154 124.4503 59.6909 39.3045 175.3642 40 I 4.2125 8.7679 129.3174 61.6156 37.2509 176.4815 41 I 4.0896 8.5718 120.1115 61.1751 39.1707 174.6573 42 D 4.8185 7.7363 121.0215 53.5141 45.0361 173.2597 43 Q 4.8148 8.1837 119.8969 55.1833 32.1984 173.3829 44 V 4.3690 8.8345 125.8279 61.1649 34.1085 174.6872 45 Q 4.6067 8.7297 127.3406 55.5647 29.8148 176.2134 46 C 4.4662 8.3496 117.6043 58.1229 31.0810 173.4569 47 T 4.4329 8.0320 107.3384 61.4425 68.8058 174.3604 48 H 4.2019 7.9518 119.4572 56.4187 29.0733 175.9437 49 L 4.0621 8.6190 121.1468 55.8526 42.9357 177.6703 *51 R 4.2606 8.0196 117.2525 56.3190 30.1252 177.1542 *53 S 4.2200 9.0047 107.1996 57.8184 64.3411 173.7222 54 A 4.1517 7.8849 122.2032 51.5575 19.2327 176.2831 55 P 4.6033 0.0000 0.0000 61.5471 32.6968 175.8612 56 I 3.8661 8.1547 120.4624 63.3675 37.2955 176.9201 57 G 3.9925 9.5278 114.0930 45.1954 0.0000 174.1156 58 G 3.8720 7.9085 107.7255 46.6894 0.0000 172.6312 59 K 5.1583 8.5678 121.2420 54.3402 34.6407 175.4480 60 L 4.6387 8.8598 125.0692 51.8901 43.7961 176.1672 61 P 4.8324 0.0000 0.0000 62.4625 30.6071 177.4563 *63 H 4.7933 8.7069 113.1247 55.1595 30.0526 173.6198 64 A 4.5554 7.7315 119.5574 50.8736 20.9497 175.9817 65 S 5.0144 7.5787 111.4179 55.7353 67.3395 175.2160 66 G 3.6062 8.4635 108.5027 48.0324 0.0000 175.7998 67 A 4.0217 8.0128 123.6140 54.5573 18.4613 179.2635 68 G 4.1237 8.0053 105.5530 47.7502 0.0000 176.0142 69 K 4.0612 8.3543 121.1100 58.2872 31.8225 179.4571 70 A 3.9659 8.0071 120.8816 55.1632 18.5891 179.4043 71 F 4.2929 8.0671 116.1370 60.7956 39.1365 177.6442 72 L 4.0282 8.3682 119.8153 58.2013 41.6013 178.7454 73 A 4.1590 8.0834 119.4658 54.4396 18.3610 178.7456 74 Q 4.3169 7.9963 115.1360 56.3168 29.3296 176.2149 75 L 4.5105 7.0688 119.8928 53.6379 42.9695 177.0831 76 S 4.4873 9.1744 116.5702 57.6875 65.1452 175.0777 77 E 3.9492 8.7174 121.4191 59.8440 29.0409 179.7520 78 E 3.9063 8.0528 117.5728 59.5474 29.7686 178.8249 79 Q 3.9747 7.9258 118.1635 59.4011 28.7989 179.9434 80 V 3.5916 7.9268 118.7428 66.1520 31.5641 177.9286 81 T 3.7734 8.2046 115.9580 66.7138 68.3966 176.6435 82 K 3.9639 8.3376 120.3994 59.4676 32.1138 179.4308 83 L 3.9800 7.9055 119.2190 57.8270 41.4948 179.6805 84 L 3.9718 8.3237 119.3245 58.1013 41.3295 179.1330 85 H 4.2570 7.9776 115.2765 58.6769 28.6115 177.5871 86 R 4.0688 7.6205 119.2732 59.1555 30.2602 178.0320 87 K 4.2811 8.1540 116.0040 55.1218 32.8037 177.8250 88 G 3.9777 7.6953 108.8252 44.8446 0.0000 173.8340 89 L 4.3358 7.7714 116.6347 51.8322 41.6028 175.7022 90 H 3.6269 8.1318 117.6693 56.6757 30.4035 174.4884 91 A 4.4165 7.8912 129.5912 50.9530 17.9590 176.2899 92 Y 4.1623 8.5820 120.3678 61.6196 38.3609 176.3758 93 T 4.7434 8.2670 108.4909 59.9877 72.0685 174.0358 94 H 4.2901 8.6191 115.9564 57.4351 28.5698 175.9466 95 A 4.3651 7.6326 122.1908 53.0149 19.4076 177.7477 96 T 3.7733 7.3074 112.6666 64.1567 68.8575 174.1068 97 L 4.2590 8.5002 125.8404 54.8586 40.7123 176.9990 98 V 4.2143 8.2497 116.1669 61.0165 33.0281 176.5620 99 S 4.6084 7.7036 115.4690 56.3349 64.1827 172.6980 100 P 4.3573 0.0000 0.0000 65.3882 31.1023 179.2749 101 V 3.6062 7.6382 117.7624 65.1225 31.4583 178.0597 102 H 4.2357 7.8956 116.7182 58.3084 28.4838 177.5036 103 L 3.9663 8.3579 122.4612 58.2589 42.0020 179.0943 104 K 3.9305 8.3283 118.6902 59.4292 31.9321 178.8583 105 E 3.9291 8.5398 119.8657 59.3471 29.5508 178.3649 106 D 4.3277 8.1906 117.9953 57.3950 41.2877 178.2410 107 L 3.9783 8.3580 119.6349 57.5390 41.5846 179.2165 108 A 3.9819 8.0470 120.7120 55.5152 18.3675 179.7607 109 Q 3.9438 8.2058 116.4128 59.2675 28.7235 179.2313 110 T 3.9486 7.8382 118.1658 66.1749 68.2842 176.8696 111 R 3.9391 7.7558 118.6640 59.0031 30.1289 178.7937 112 K 4.0660 7.8548 118.7610 59.2460 32.4010 178.5137 113 R 4.2256 7.8869 113.7710 56.4789 29.9699 177.4085 114 G 4.0718 9.2535 108.1263 45.1957 0.0000 172.6177 115 Y 5.2429 6.8929 116.8459 55.3986 41.7752 174.6163 116 S 4.6895 9.3327 116.7783 57.8989 65.6104 173.1419 117 F 5.2117 8.4864 122.5776 57.0176 41.9387 173.4463 118 D 4.4335 9.5868 128.5022 53.6167 41.8268 174.6221 119 D 4.7082 8.4977 128.2103 52.7296 40.0847 175.2612 120 E 4.0828 8.4198 123.1217 56.7996 28.1421 176.2110 121 E 4.1374 8.7462 119.4785 58.2555 30.0596 177.4277 122 H 4.3925 8.1181 116.6628 56.9954 31.5208 174.5495 123 A 4.5981 7.3665 119.9013 50.2135 21.9213 175.2007 124 L 4.0517 8.4043 121.9615 56.5737 42.2317 178.2364 125 G 3.9133 9.7136 111.3330 45.0307 0.0000 172.2476 126 L 4.7922 7.5503 122.3066 53.4351 43.8782 175.3098 127 R 5.2124 8.9016 125.2629 54.7883 33.6014 174.7602 128 C 5.3383 8.9747 118.5677 58.2133 33.2673 172.9525 129 L 5.5397 8.8708 120.8456 53.1855 44.9620 175.5419 130 A 5.7293 9.1964 122.8457 50.4121 23.3189 174.7819 131 A 4.9018 8.2007 119.7271 50.4414 22.9452 175.7890 132 C 4.2619 8.5230 117.8228 59.3628 29.6099 172.9890 133 I 4.3567 7.8486 121.4256 59.4384 39.5505 174.8621 134 F 5.3627 8.6281 124.7903 55.9248 42.2241 175.4872 135 D 4.8522 8.8454 122.1695 52.1122 41.6891 176.5047 136 E 4.2280 8.9106 115.5591 59.2176 29.9162 176.8028 137 H 4.7687 8.3574 115.6554 55.1920 28.8066 174.9236 138 R 4.0634 7.8522 116.4774 57.1565 28.3361 175.7652 139 E 4.4437 8.7345 117.9269 54.7300 30.2933 174.3340 140 P 4.1505 0.0000 0.0000 62.6891 31.0298 175.7637 141 F 4.9483 8.3169 118.8574 56.9600 39.0766 175.2729 142 A 5.0444 6.8923 119.9205 50.9575 22.6707 174.6325 143 A 4.6818 8.7952 120.4105 50.1426 22.4829 175.7424 144 I 4.7502 8.2257 121.2034 59.6181 39.8187 175.1072 145 S 5.3048 8.9996 120.1018 56.6213 66.7522 172.6442 146 I 4.8915 8.7596 122.7552 59.8671 39.3809 174.8823 147 S 5.0274 8.7392 122.8573 56.9812 66.4165 173.6373 148 G 4.1522 8.8568 110.4474 45.4259 0.0000 170.5453 149 P 5.0957 0.0000 0.0000 62.2758 30.7897 177.6682 150 I 4.2446 8.7343 116.2521 64.0015 37.7931 178.3913 151 S 4.3638 8.3051 116.4969 60.2545 63.1610 174.9399 152 R 4.4710 7.2034 118.2688 57.0671 32.0620 176.6242 153 I 3.9076 7.8812 120.2777 60.1095 35.5838 175.3728 154 T 4.4441 7.5872 114.3860 60.2785 70.7708 176.5727 155 D 4.4221 8.7416 122.5584 57.6185 40.6255 178.5440 156 D 4.5414 8.1193 117.1011 55.2071 39.8036 177.3243 157 R 4.4952 8.1473 119.1117 56.2568 31.1523 178.0638 158 V 3.3839 7.4448 119.2801 66.2692 31.3969 177.9376 159 T 3.7480 7.7378 114.7876 66.5124 68.1421 175.9532 160 E 3.7984 8.0014 119.3640 59.4222 29.7236 178.4426 161 F 4.2028 8.3941 116.9560 60.2770 39.1325 177.4796 162 G 2.6811 8.1162 105.4813 47.2561 0.0000 175.9159 163 A 4.1016 7.7903 121.2299 52.7678 18.5308 179.3878 *165 V 4.0014 7.7576 121.9724 63.1482 33.6756 177.7077 166 I 3.6936 8.0693 121.5844 64.2327 36.8731 178.2526 167 K 3.9055 8.1349 119.9259 59.3285 32.1705 178.6075 168 A 3.9463 7.9762 120.3454 55.1647 18.3387 179.3109 169 A 3.8735 8.2512 119.4998 55.0358 18.3783 179.4167 170 K 3.8077 8.2087 118.3853 60.1148 32.1203 178.6431 171 E 3.9698 8.3802 118.5625 59.4026 29.3381 179.6951 172 V 3.6486 7.7849 117.8858 66.1829 31.6269 178.0592 173 T 4.0441 8.1079 115.6170 66.8242 68.3648 176.5085 174 L 4.0247 8.3493 120.6247 57.7045 41.4722 179.0573 175 A 4.0398 8.0309 119.7062 55.6700 18.3541 178.6484 176 Y 4.2694 8.5562 116.6982 60.9160 38.9521 178.2172 177 G 3.9609 8.2532 105.6401 47.7009 0.0000 175.2322 178 G 3.7666 7.7716 104.3667 45.2933 0.0000 173.7776 *180 R 3.8175 7.8867 122.7027 55.9972 29.7209 175.2551 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 4 S 8.33 4.41 0.00 3.87 3.60 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 5 R 8.74 4.19 0.00 1.96 1.82 0.00 3.30 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 0.00 6 N 7.89 4.43 0.00 2.79 2.87 0.00 0.00 6.60 6.74 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 7 L 7.94 3.96 0.00 1.85 1.74 1.11 0.95 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 8 L 8.22 4.02 0.00 1.95 1.76 1.03 1.01 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 9 A 7.95 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.79 3.84 2.06 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 1.44 0.85 0.96 0.00 0.00 11 V 8.31 3.84 2.38 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 1.03 0.00 0.00 1.03 0.00 0.00 12 H 8.21 4.07 0.00 3.46 3.33 0.00 5.84 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 13 P 0.00 4.26 0.00 2.21 2.10 0.00 3.92 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 14 I 7.28 3.69 2.06 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 1.68 0.55 0.91 0.00 0.00 15 L 7.73 3.93 0.00 1.72 1.66 0.97 0.84 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 16 R 7.75 4.04 0.00 1.90 1.98 0.00 3.25 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 17 N 8.33 4.52 0.00 2.79 2.85 0.00 0.00 6.73 6.43 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 18 L 7.77 4.20 0.00 1.85 1.77 0.91 1.02 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 *20 E 8.15 4.23 0.00 2.21 2.01 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 2.43 2.24 0.00 21 E 8.53 4.19 0.00 1.90 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 2.21 2.17 0.00 22 S 8.37 4.11 0.00 4.40 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 0.00 23 G 7.79 4.01 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 0.00 0.00 0.00 24 E 8.02 4.93 0.00 1.96 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 2.55 2.31 0.00 25 T 8.50 4.27 4.40 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 1.22 0.00 0.00 26 V 8.84 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 1.08 0.00 0.00 0.99 0.00 0.00 27 N 9.05 5.33 0.00 2.62 2.67 0.00 0.00 6.74 8.19 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 *29 A 8.47 4.62 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.49 4.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 31 L 7.83 4.09 0.00 0.27 1.01 0.52 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.17 4.42 0.00 2.65 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 33 Q 8.67 3.83 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 34 S 7.32 4.07 0.00 4.00 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 35 D 8.00 4.54 0.00 2.82 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 36 H 8.81 3.98 0.00 3.26 3.42 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.11 4.39 0.00 2.05 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 2.35 2.56 0.00 38 A 8.87 4.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.72 4.70 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.95 0.00 0.00 40 I 8.77 4.21 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 1.30 1.02 0.96 0.00 0.00 41 I 8.57 4.09 1.90 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 1.27 0.68 1.00 0.00 0.00 42 D 7.74 4.82 0.00 2.82 2.53 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 43 Q 8.18 4.81 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.61 0.00 44 V 8.83 4.37 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 0.99 0.00 0.00 0.85 0.00 0.00 45 Q 8.73 4.61 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 46 C 8.35 4.47 0.00 3.15 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 47 T 8.03 4.43 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 1.19 0.00 0.00 48 H 7.95 4.20 0.00 3.19 3.29 0.00 5.72 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 49 L 8.62 4.06 0.00 1.65 1.72 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *51 R 8.02 4.26 0.00 1.96 1.44 0.00 3.11 0.00 0.00 3.44 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 *53 S 9.00 4.22 0.00 3.91 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 54 A 7.88 4.15 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 55 P 0.00 4.60 0.00 2.23 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 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6.89 5.24 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.33 4.69 0.00 3.93 4.05 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 0.00 117 F 8.49 5.21 0.00 3.06 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 0.00 118 D 9.59 4.43 0.00 2.69 2.61 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 0.00 119 D 8.50 4.71 0.00 1.58 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 0.00 0.00 0.00 0.00 120 E 8.42 4.08 0.00 2.06 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 2.19 0.00 121 E 8.75 4.14 0.00 2.08 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 2.46 2.31 0.00 122 H 8.12 4.39 0.00 3.05 3.21 0.00 5.94 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 0.00 123 A 7.37 4.60 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 0.00 124 L 8.40 4.05 0.00 1.61 1.63 0.91 0.98 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 0.00 125 G 9.71 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 0.00 126 L 7.55 4.79 0.00 1.74 1.65 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.90 5.21 0.00 1.86 1.89 0.00 3.29 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 128 C 8.97 5.34 0.00 2.84 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 0.00 129 L 8.87 5.54 0.00 1.59 1.46 0.87 0.40 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 0.00 130 A 9.20 5.73 1.20 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 0.00 0.00 131 A 8.20 4.90 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 0.00 132 C 8.52 4.26 0.00 2.31 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 0.00 0.00 0.00 133 I 7.85 4.36 1.23 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 1.25 0.58 0.39 0.00 0.00 134 F 8.63 5.36 0.00 2.93 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 0.00 135 D 8.85 4.85 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.91 4.23 0.00 2.13 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 2.01 2.21 0.00 137 H 8.36 4.77 0.00 3.35 3.42 0.00 5.87 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.85 4.06 0.00 2.04 2.05 0.00 2.99 0.00 0.00 2.92 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 139 E 8.73 4.44 0.00 2.48 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 2.43 2.48 0.00 140 P 0.00 4.15 0.00 2.06 1.57 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 141 F 8.32 4.95 0.00 2.94 3.15 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 0.00 142 A 6.89 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.80 4.68 0.58 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 0.00 144 I 8.23 4.75 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.92 0.00 0.00 145 S 9.00 5.30 0.00 3.83 3.90 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 0.00 146 I 8.76 4.89 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.98 0.00 0.00 147 S 8.74 5.03 0.00 3.67 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.86 4.15 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 0.00 149 P 0.00 5.10 0.00 2.09 2.15 0.00 3.81 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 2.01 1.92 0.00 150 I 8.73 4.24 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 1.43 0.78 0.94 0.00 0.00 151 S 8.31 4.36 0.00 3.99 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 0.00 152 R 7.20 4.47 0.00 1.83 1.98 0.00 3.01 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 153 I 7.88 3.91 1.70 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 0.43 0.20 0.46 0.00 0.00 154 T 7.59 4.44 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 1.34 0.00 0.00 155 D 8.74 4.42 0.00 2.74 2.80 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 0.00 0.00 0.00 156 D 8.12 4.54 0.00 2.83 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 0.00 157 R 8.15 4.50 0.00 2.19 2.35 0.00 3.22 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 158 V 7.44 3.38 1.85 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 0.06 0.00 0.00 0.71 0.00 0.00 159 T 7.74 3.75 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 1.21 0.00 0.00 160 E 8.00 3.80 0.00 1.86 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 0.00 2.02 2.26 0.00 161 F 8.39 4.20 0.00 3.01 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 0.00 162 G 8.12 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 0.00 0.00 0.00 163 A 7.79 4.10 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 *165 V 7.76 4.00 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 0.93 0.00 0.00 0.96 0.00 0.00 166 I 8.07 3.69 2.07 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 1.63 0.78 0.95 0.00 0.00 167 K 8.13 3.91 0.00 1.82 1.78 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.45 7.81 168 A 7.98 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.25 3.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.21 3.81 0.00 1.90 2.13 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 171 E 8.38 3.97 0.00 2.21 2.01 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 2.34 2.51 0.00 172 V 7.78 3.65 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 173 T 8.11 4.04 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 174 L 8.35 4.02 0.00 1.89 1.75 0.95 1.05 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 0.00 175 A 8.03 4.04 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 0.00 176 Y 8.56 4.27 0.00 3.15 3.39 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 0.00 177 G 8.25 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 0.00 178 G 7.77 3.77 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 0.00 0.00 0.00 *180 R 7.89 3.82 0.00 1.46 0.95 0.00 2.94 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.