NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.1153 8.2649 123.5599 51.8038 19.0441 175.6949 7 K 4.4838 7.6547 120.2927 53.2507 34.7122 175.0638 8 L 4.2975 8.9847 121.8360 55.8524 43.1636 176.8370 9 N 4.3297 8.9547 117.2305 54.2915 37.0143 173.6844 10 H 5.1779 7.5646 114.0206 52.7526 32.3735 171.1549 11 P 4.6026 0.0000 0.0000 63.0047 31.0249 175.7901 12 A 4.1523 8.5332 126.6394 51.2074 19.2648 175.4478 13 P 4.0985 0.0000 0.0000 62.5434 31.8082 176.1884 14 E 4.1740 8.7615 125.1075 56.0870 30.3297 175.6738 15 F 5.1249 8.0927 121.0847 55.3427 41.4498 174.0948 16 D 4.9625 8.7610 121.3699 55.1824 42.8572 172.9675 17 D 4.5599 9.5772 133.5989 54.2143 47.3800 177.1277 *19 A 4.3686 9.1841 116.2557 51.6333 20.6099 177.8938 20 L 4.7901 8.6051 122.8144 54.1002 43.4900 174.9373 *22 P 4.4753 0.0000 0.0000 62.4823 32.3638 177.7960 23 N 4.1936 7.7810 113.9876 53.6216 37.3780 174.7825 24 G 4.4457 7.1906 114.9367 44.7703 0.0000 172.7454 25 T 3.9958 7.7563 116.7828 63.0549 69.3103 173.8989 26 F 5.3920 8.4630 121.0744 56.1041 40.5065 174.9485 27 K 4.6773 8.7849 125.0638 54.1380 35.0870 175.5577 28 K 4.4470 8.7529 128.0720 55.9952 32.7298 175.8083 29 V 4.5883 8.8278 128.7915 61.4914 33.8556 174.7105 30 S 5.2586 8.2933 119.3764 55.8014 65.6485 174.9565 31 L 3.5648 7.6912 123.7270 57.9422 41.6235 179.5857 32 S 4.1630 7.8652 114.0834 60.9254 62.7132 176.4883 33 S 4.0786 7.7399 118.6741 61.7045 62.7811 175.3410 34 Y 4.5887 7.8323 116.6677 57.1517 37.5675 174.4257 35 K 4.0514 7.8451 122.2692 60.0946 31.8637 174.7500 36 G 3.5961 7.0016 121.7377 45.0297 0.0000 171.9222 37 K 4.8728 8.1758 119.9386 54.3963 36.3076 175.3259 38 Y 4.4119 8.8436 119.2074 57.9430 39.3507 175.1468 39 V 4.8347 9.0325 122.1849 61.0756 35.5133 174.5510 40 V 4.6907 8.5407 126.5647 61.2445 33.8206 173.6228 41 L 4.9935 8.7289 131.3103 53.3693 43.6467 175.1682 42 F 5.5140 8.2120 119.9959 55.3601 41.2132 173.5484 43 F 5.1496 9.9207 119.6418 55.3802 42.1998 174.0283 44 Y 4.8922 7.7567 117.2787 55.2268 40.4362 173.0069 45 P 4.2409 0.0000 0.0000 66.0267 31.5544 177.2388 *47 D 3.6086 7.6950 116.2575 53.8176 43.1571 176.3108 48 F 4.0932 6.9938 118.4586 56.3200 38.3210 176.8809 49 T 3.8509 7.1284 118.5934 63.2760 69.1102 174.1345 50 F 4.4322 8.7493 129.2706 60.1697 39.4607 173.4804 51 V 3.8725 9.2398 128.9864 62.4020 31.0618 170.3119 52 C 4.6621 7.5964 118.3995 57.0605 31.5286 169.5128 53 P 4.6945 0.0000 0.0000 60.8480 34.2711 181.5585 54 T 2.9329 7.8182 103.9279 60.2444 72.9598 174.9443 55 E 3.8830 8.3632 124.5374 58.7258 30.5841 178.3315 56 I 4.0151 7.7552 119.2596 64.6890 37.1508 178.3523 57 I 3.6663 7.8302 120.1897 64.6854 36.9608 178.3014 58 Q 3.8843 8.1585 118.2236 59.2690 28.2763 179.8530 59 F 3.8999 7.6512 116.7183 60.6142 39.0602 177.0552 60 S 4.3375 7.6403 111.3730 61.9023 62.3691 175.8327 61 D 4.4967 8.5185 121.6146 57.4513 40.7200 178.0853 62 D 4.4568 8.3083 116.4711 55.3040 40.5813 178.0959 63 A 4.2345 8.0133 123.7316 55.2568 18.3826 179.7818 64 K 3.8636 8.0661 117.3444 59.8706 32.1729 178.5594 65 R 3.8624 8.0103 117.0181 59.5445 30.0863 178.0947 66 F 4.2169 8.6533 117.5061 60.6503 38.9493 177.2581 67 A 4.3562 8.5034 122.1344 54.7331 17.8328 179.1649 68 E 3.9688 8.2251 116.6963 58.3288 29.6877 177.1675 69 I 4.3405 8.4052 119.7132 60.9064 38.6179 175.0885 70 N 4.8285 8.2122 113.5466 54.1455 37.8361 172.2885 71 T 5.3511 7.5921 105.5409 59.4237 71.6692 172.3309 72 E 4.8482 9.3203 125.9636 54.6601 32.3729 174.8620 73 V 4.8728 8.1950 117.2466 59.8811 35.5095 174.7851 74 I 4.6779 8.5334 121.7467 60.1552 41.7893 174.6684 75 S 3.6271 7.9152 123.9121 56.8119 65.4948 172.5264 76 C 4.6555 7.4636 114.6624 59.5449 35.1445 172.7565 77 S 4.4260 7.3773 117.9316 57.3584 65.8503 173.9028 78 C 4.9390 8.2802 115.5162 60.3465 28.1075 173.5907 79 D 4.9387 7.3067 118.8038 52.3354 42.7012 177.3792 80 S 4.3177 8.3198 116.8682 58.1112 65.1654 174.9415 81 E 3.8897 8.9306 122.8651 60.2287 28.7885 179.3828 82 Y 4.1971 8.1863 116.6936 61.1199 38.1064 177.5929 83 S 4.3939 7.9625 112.5033 61.8522 62.4556 175.6506 84 H 4.9600 9.0789 119.8107 58.2776 28.2962 177.8158 85 L 3.8155 7.8797 123.6597 57.2183 40.9442 179.0694 86 Q 4.0098 8.2706 119.7516 58.5328 29.1660 178.2218 87 W 5.0326 11.7100 127.9078 58.8270 30.9039 177.6546 88 T 3.9880 9.6374 113.9933 64.2682 67.2012 176.3095 89 S 4.2419 8.0572 115.0192 60.1020 64.2270 175.1481 90 V 3.6086 7.2964 119.8261 62.5738 31.8347 174.7148 91 D 4.6121 8.8469 126.8780 54.6074 41.0337 177.0884 92 R 4.0677 8.7631 124.4613 58.5869 30.1517 177.2486 93 K 4.0060 8.1120 117.6456 58.5778 33.1954 177.1120 94 K 4.3567 8.5321 121.8173 55.6371 31.2433 176.8998 95 G 3.9781 8.0664 103.6237 46.3459 0.0000 173.8731 96 G 4.0404 7.3500 108.9993 44.3711 0.0000 173.5451 97 L 3.7713 7.1950 118.2476 54.0508 43.8569 177.1681 98 G 4.0251 7.2801 108.5382 43.5251 0.0000 170.8910 99 P 4.1800 0.0000 0.0000 61.2563 32.1378 176.2234 *101 A 4.3105 8.2594 119.6621 51.7684 20.0226 176.3126 102 I 4.6665 7.4503 116.5283 58.7534 40.3550 175.8198 103 P 4.7190 0.0000 0.0000 62.2941 31.7408 175.0433 *105 L 4.2560 8.2850 120.3316 55.7150 43.5764 176.4739 106 A 4.7377 8.3829 122.8985 50.7011 21.3170 175.3460 107 D 4.7040 8.3967 122.7120 52.2108 38.8647 177.5486 108 K 3.9925 8.4375 126.4510 59.7970 32.6496 178.4946 109 T 3.9201 7.8349 113.0835 62.7069 67.7261 175.9501 110 K 4.1839 8.2757 118.6178 56.7328 30.9746 177.4003 111 A 4.0334 7.5597 120.7432 55.2928 18.1447 180.0886 112 I 3.7680 7.8832 117.3782 64.5550 37.3496 177.9578 113 A 3.8687 8.2422 121.6422 55.4790 18.0917 179.9046 114 R 3.7967 8.0204 115.9109 59.4759 29.9774 178.9671 115 A 3.9957 7.6887 119.0767 55.0025 18.3542 178.2943 116 Y 3.8820 7.8333 111.9504 56.3252 38.7792 175.7451 117 G 3.9496 8.1641 108.4270 47.1608 0.0000 174.5254 118 V 4.1960 7.7815 117.1666 62.0410 33.3866 174.7947 119 L 4.4921 7.7376 121.2214 55.3625 42.6234 176.0784 120 D 4.8723 8.6620 126.0248 52.1483 40.1271 176.0440 121 E 3.9462 8.7813 125.1972 59.4404 29.9633 178.9290 122 D 4.5149 8.2859 117.4479 57.0578 41.0946 177.4300 123 S 4.3017 8.0779 111.6493 58.6249 63.8202 175.3049 124 G 3.9519 8.8434 107.9099 44.7079 0.0000 172.5643 125 V 4.5647 7.5619 111.7918 59.1130 35.8409 174.5747 126 A 5.0187 8.3201 123.0317 51.3608 20.4563 176.6411 127 Y 4.2273 8.4897 117.7681 56.8436 39.9040 177.6882 128 R 4.7087 7.9999 119.5099 56.1154 27.9794 176.0059 129 G 4.4817 8.4090 109.7008 44.7698 0.0000 170.1405 130 V 5.2011 8.4980 121.8200 61.3548 35.2570 173.7855 131 F 5.5662 9.8750 125.9183 54.6654 43.4692 174.0025 132 I 5.1071 8.6001 121.7372 59.8919 40.0051 174.3302 133 I 4.9945 8.8405 129.0053 59.6961 39.4986 175.6774 134 D 4.3134 9.0372 126.7069 51.5184 40.7411 175.6007 135 P 4.5137 0.0000 0.0000 64.5973 31.2854 177.7775 136 N 4.5570 8.1512 113.0349 53.1240 39.0547 175.5004 137 G 3.8669 8.6909 107.7318 45.7693 0.0000 173.0316 138 K 4.8396 8.3741 118.8164 53.8812 34.2729 175.4428 139 L 4.5884 8.2264 124.8421 55.1613 43.0173 177.0963 140 R 4.9354 8.9222 122.8210 55.4124 32.9760 174.7438 141 Q 4.6064 7.8470 118.0155 55.3731 32.4745 172.6353 142 I 4.6846 8.4998 126.5518 59.6119 40.7754 175.1582 143 I 4.4360 7.5678 126.5233 60.1977 41.8938 173.9882 144 I 4.9409 8.2411 127.1173 59.7594 39.5511 174.6045 145 N 4.8799 9.4424 125.6194 51.2816 40.6211 177.3250 146 D 4.9613 8.7801 122.4524 54.2666 40.5432 176.5326 *148 P 4.3358 0.0000 0.0000 61.6186 32.9093 175.6898 149 I 4.2711 7.4158 120.1877 59.1419 37.2398 175.9381 150 G 3.8688 8.5643 114.5236 45.7524 0.0000 171.7754 151 R 4.4969 8.7224 119.2484 54.4854 32.2986 176.3997 152 N 4.6758 8.1949 118.0915 51.6463 39.0262 174.9108 153 V 3.2831 8.0913 125.9594 65.9589 31.3400 177.1793 154 E 3.7888 8.1150 117.6188 59.3052 29.2358 178.7058 155 E 3.8662 8.0777 119.1880 59.3532 29.6723 178.8149 156 V 3.6780 7.8981 117.6576 66.2556 31.4697 177.8169 157 I 3.7002 7.6938 119.1666 64.3815 36.8797 177.9645 158 R 3.8185 8.1560 119.9539 59.7777 29.7706 178.1313 159 L 3.9571 8.2804 118.6617 57.8036 41.5548 179.7975 160 V 3.5091 7.9246 117.9791 66.0191 31.5121 177.6690 161 E 3.8655 8.6649 118.3384 59.4987 29.1463 179.0201 162 A 4.0140 8.3386 119.7114 55.3857 18.5227 179.3907 163 L 4.1729 8.2502 117.4313 58.2710 41.5710 179.7243 164 Q 4.0964 8.0329 116.7108 58.8664 28.6638 178.3026 165 F 4.0984 8.4254 121.2759 61.5000 39.4611 175.6989 166 V 4.1051 7.7015 120.4019 63.3374 31.5050 175.2360 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 6 A 8.26 4.12 1.05 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 0.00 0.00 7 K 7.65 4.48 0.00 1.97 1.81 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.53 7.81 8 L 8.98 4.30 0.00 1.78 1.59 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.95 4.33 0.00 2.76 2.83 0.00 0.00 6.74 8.92 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 10 H 7.56 5.18 0.00 3.27 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.60 0.00 2.05 2.13 0.00 3.84 0.00 0.00 3.69 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 12 A 8.53 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.10 0.00 1.65 1.78 0.00 3.06 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.68 0.00 14 E 8.76 4.17 0.00 1.91 1.84 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 2.25 2.30 0.00 15 F 8.09 5.12 0.00 3.10 3.19 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 16 D 8.76 4.96 0.00 2.68 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 17 D 9.58 4.56 0.00 2.80 1.99 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 *19 A 9.18 4.37 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 20 L 8.61 4.79 0.00 1.80 1.92 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *22 P 0.00 4.48 0.00 2.13 2.16 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 23 N 7.78 4.19 0.00 2.80 2.85 0.00 0.00 5.84 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.19 4.45 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 0.00 25 T 7.76 4.00 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 1.21 0.00 0.00 26 F 8.46 5.39 0.00 2.86 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 27 K 8.78 4.68 0.00 1.80 1.70 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 28 K 8.75 4.45 0.00 1.84 1.75 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.60 1.37 7.81 29 V 8.83 4.59 2.27 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 1.28 0.00 0.00 1.03 0.00 0.00 30 S 8.29 5.26 0.00 4.02 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 31 L 7.69 3.56 0.00 0.27 1.26 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.87 4.16 0.00 4.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.74 4.08 0.00 3.71 3.75 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 34 Y 7.83 4.59 0.00 3.18 3.02 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 35 K 7.85 4.05 0.00 1.84 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 36 G 7.00 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 0.00 0.00 0.00 37 K 8.18 4.87 0.00 1.85 2.07 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 Y 8.84 4.41 0.00 3.06 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 39 V 9.03 4.83 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 0.67 0.00 0.00 0.87 0.00 0.00 40 V 8.54 4.69 1.79 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 0.93 0.00 0.00 0.77 0.00 0.00 41 L 8.73 4.99 0.00 1.62 1.45 -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.21 5.51 0.00 2.96 2.69 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 43 F 9.92 5.15 0.00 3.12 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 44 Y 7.76 4.89 0.00 2.98 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 45 P 0.00 4.24 0.00 2.09 2.13 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.29 0.00 *47 D 7.70 3.61 0.00 2.41 1.54 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 0.00 0.00 0.00 0.00 48 F 6.99 4.09 0.00 2.83 2.86 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 49 T 7.13 3.85 4.60 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 1.35 0.00 0.00 50 F 8.75 4.43 0.00 3.00 2.92 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 51 V 9.24 3.87 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 0.80 0.00 0.00 0.85 0.00 0.00 52 C 7.60 4.66 0.00 3.11 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 53 P 0.00 4.69 0.00 2.18 2.15 0.00 3.81 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 54 T 7.82 2.93 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 55 E 8.36 3.88 0.00 2.16 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 2.69 2.68 0.00 56 I 7.76 4.02 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.79 0.00 0.00 57 I 7.83 3.67 2.03 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.89 0.00 0.00 58 Q 8.16 3.88 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 59 F 7.65 3.90 0.00 3.02 2.89 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 60 S 7.64 4.34 0.00 3.86 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 61 D 8.52 4.50 0.00 2.82 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 62 D 8.31 4.46 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.01 4.23 1.49 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 0.00 0.00 0.00 64 K 8.07 3.86 0.00 1.90 1.82 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.58 7.81 65 R 8.01 3.86 0.00 1.74 1.97 0.00 3.17 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.60 0.00 66 F 8.65 4.22 0.00 3.39 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 67 A 8.50 4.36 1.49 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 0.00 0.00 0.00 68 E 8.23 3.97 0.00 2.24 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 2.33 2.33 0.00 69 I 8.41 4.34 1.85 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 1.14 1.19 1.00 0.00 0.00 70 N 8.21 4.83 0.00 3.00 2.95 0.00 0.00 6.79 8.56 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 71 T 7.59 5.35 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 1.34 0.00 0.00 72 E 9.32 4.85 0.00 2.33 2.04 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 2.86 2.52 0.00 73 V 8.19 4.87 1.87 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 0.32 0.00 0.00 1.00 0.00 0.00 74 I 8.53 4.68 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 0.98 1.32 0.66 0.00 0.00 75 S 7.92 3.63 0.00 3.06 3.64 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 76 C 7.46 4.66 0.00 2.21 1.49 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 0.00 77 S 7.38 4.43 0.00 3.19 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 78 C 8.28 4.94 0.00 2.91 2.92 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 79 D 7.31 4.94 0.00 2.64 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 80 S 8.32 4.32 0.00 4.05 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 81 E 8.93 3.89 0.00 1.16 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 2.32 2.62 0.00 82 Y 8.19 4.20 0.00 3.02 3.16 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 83 S 7.96 4.39 0.00 3.99 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 84 H 9.08 4.96 0.00 3.77 3.70 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.88 3.82 0.00 1.86 1.93 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.27 4.01 0.00 2.42 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.38 0.00 0.00 0.00 0.00 0.00 2.48 2.95 0.00 87 W 11.71 5.03 0.00 3.27 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 88 T 9.64 3.99 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 1.22 0.00 0.00 89 S 8.06 4.24 0.00 4.03 3.98 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 90 V 7.30 3.61 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 1.05 0.00 0.00 1.13 0.00 0.00 91 D 8.85 4.61 0.00 2.83 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 92 R 8.76 4.07 0.00 1.68 1.95 0.00 3.02 0.00 0.00 3.74 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 93 K 8.11 4.01 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.42 1.50 7.81 94 K 8.53 4.36 0.00 1.76 1.74 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.54 7.81 95 G 8.07 3.98 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 0.00 0.00 0.00 96 G 7.35 4.04 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 0.00 0.00 0.00 97 L 7.20 3.77 0.00 0.27 1.27 0.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.28 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 99 P 0.00 4.18 0.00 2.03 2.05 0.00 3.73 0.00 0.00 2.90 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 *101 A 8.26 4.31 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.45 4.67 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.11 1.08 0.00 0.00 103 P 0.00 4.72 0.00 2.27 2.00 0.00 3.83 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 2.29 2.20 0.00 *105 L 8.28 4.26 0.00 1.47 1.34 0.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.38 4.74 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 0.00 107 D 8.40 4.70 0.00 2.66 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 0.00 108 K 8.44 3.99 0.00 1.73 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.39 7.81 109 T 7.83 3.92 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 1.26 0.00 0.00 110 K 8.28 4.18 0.00 2.05 1.95 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.35 7.81 111 A 7.56 4.03 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 0.00 112 I 7.88 3.77 2.13 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 1.00 0.00 0.00 113 A 8.24 3.87 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 0.00 114 R 8.02 3.80 0.00 2.05 1.98 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 115 A 7.69 4.00 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 0.00 116 Y 7.83 3.88 0.00 2.58 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 0.00 0.00 0.00 0.00 117 G 8.16 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 0.00 0.00 0.00 118 V 7.78 4.20 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 119 L 7.74 4.49 0.00 1.52 1.55 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.66 4.87 0.00 3.05 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 0.00 121 E 8.78 3.95 0.00 2.01 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 2.34 2.32 0.00 122 D 8.29 4.51 0.00 2.86 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 0.00 123 S 8.08 4.30 0.00 3.95 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 0.00 124 G 8.84 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 0.00 0.00 0.00 125 V 7.56 4.56 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 0.67 0.00 0.00 0.80 0.00 0.00 126 A 8.32 5.02 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 0.00 127 Y 8.49 4.23 0.00 2.82 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 0.00 128 R 8.00 4.71 0.00 1.99 2.05 0.00 3.70 0.00 0.00 3.42 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 129 G 8.41 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 0.00 0.00 0.00 0.00 130 V 8.50 5.20 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 1.04 0.00 0.00 1.09 0.00 0.00 131 F 9.88 5.57 0.00 3.08 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 0.00 132 I 8.60 5.11 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 1.13 0.00 0.00 133 I 8.84 4.99 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.96 0.00 0.00 134 D 9.04 4.31 0.00 2.35 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 0.00 135 P 0.00 4.51 0.00 2.02 2.18 0.00 3.08 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 1.75 1.59 0.00 136 N 8.15 4.56 0.00 2.80 2.83 0.00 0.00 7.03 7.65 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 0.00 137 G 8.69 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.37 4.84 0.00 1.99 1.72 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.34 7.81 139 L 8.23 4.59 0.00 1.85 1.76 1.37 1.47 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 0.00 140 R 8.92 4.94 0.00 1.80 1.95 0.00 3.60 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 141 Q 7.85 4.61 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 142 I 8.50 4.68 1.90 0.00 0.00 1.00 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 0.95 0.92 0.00 0.00 143 I 7.57 4.44 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 1.20 0.38 0.92 0.00 0.00 144 I 8.24 4.94 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 1.22 0.49 0.86 0.00 0.00 145 N 9.44 4.88 0.00 2.89 2.93 0.00 0.00 6.31 8.70 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 0.00 146 D 8.78 4.96 0.00 2.76 1.84 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 *148 P 0.00 4.34 0.00 2.14 2.15 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 149 I 7.42 4.27 1.93 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 1.27 0.46 0.95 0.00 0.00 150 G 8.56 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.72 4.50 0.00 2.03 1.98 0.00 3.34 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 152 N 8.19 4.68 0.00 2.75 2.68 0.00 0.00 6.49 7.71 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 0.00 153 V 8.09 3.28 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 0.56 0.00 0.00 0.12 0.00 0.00 154 E 8.12 3.79 0.00 2.11 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 2.28 2.23 0.00 155 E 8.08 3.87 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 156 V 7.90 3.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.05 0.00 0.00 157 I 7.69 3.70 1.86 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.48 0.65 0.00 0.00 158 R 8.16 3.82 0.00 1.92 2.18 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 159 L 8.28 3.96 0.00 1.97 1.76 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.92 3.51 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 0.90 0.00 0.00 1.19 0.00 0.00 161 E 8.66 3.87 0.00 2.15 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 2.29 2.47 0.00 162 A 8.34 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.25 4.17 0.00 1.96 1.92 1.10 0.86 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 0.00 164 Q 8.03 4.10 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 165 F 8.43 4.10 0.00 3.13 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 0.00 166 V 7.70 4.11 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 0.93 0.00 0.00 1.12 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.