NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4363 0.0000 0.0000 61.8334 33.4176 177.1832 7 P 4.5124 0.0000 0.0000 61.6607 32.5680 172.2107 8 E 4.6131 7.8167 114.5915 54.2109 33.0988 175.3107 9 D 4.4695 8.5744 120.8932 53.9754 41.2657 176.2741 10 L 4.4258 8.4275 125.9133 55.2898 41.7619 176.9559 11 M 4.1294 8.7597 118.7300 54.2932 33.6593 175.2982 12 Q 3.4677 7.6273 115.6785 57.2752 27.1610 175.2971 13 Y 4.4486 8.5970 117.5610 61.3917 37.9933 178.0743 14 E 4.0083 8.3871 118.7351 59.4071 29.6323 179.2268 15 A 4.0076 7.9509 119.9927 55.5085 18.6744 179.1998 16 M 4.0166 8.1987 116.9834 58.5918 32.0334 178.6422 17 A 4.0576 8.3995 121.2056 55.4390 18.6736 179.6770 18 Q 4.0659 7.9792 115.7745 59.5621 28.5387 178.0337 19 D 4.4548 8.3771 119.8433 57.1436 41.1087 178.2880 20 A 4.0133 8.2284 121.1589 55.0319 18.4701 179.3864 21 L 4.0704 8.2219 117.0393 57.2845 41.6905 179.7377 22 R 3.7661 7.7853 119.0309 58.9421 29.7865 178.8003 23 G 3.5457 8.1855 105.9546 47.7574 0.0000 175.7332 24 V 3.4391 7.6193 120.2501 65.8303 31.4607 178.1871 25 V 2.9226 7.3919 117.7266 65.6343 31.2999 177.7822 26 K 3.5153 7.4494 118.4588 59.3288 31.8549 178.3206 27 A 3.8565 7.9648 120.8662 54.9736 18.1502 179.2695 28 A 3.8508 7.9823 119.4745 55.4448 18.4471 179.7674 29 L 3.8694 7.8901 117.3744 57.9584 41.7869 179.9610 30 K 4.0082 8.0731 118.2648 59.3921 31.8373 179.0384 31 K 4.2304 8.1395 116.0563 57.7376 32.0817 177.9839 32 A 4.5586 7.4481 120.0657 53.3310 20.1808 178.4603 33 A 4.3023 8.4720 118.9115 53.4610 18.9604 177.9336 34 A 3.7770 7.5608 120.1112 52.1247 18.6659 174.5992 35 P 4.2160 0.0000 0.0000 64.3584 31.4652 174.5517 36 G 3.3101 10.2086 116.8358 43.9635 0.0000 174.2806 37 G 4.0226 7.7962 105.8897 44.4955 0.0000 172.8707 38 L 4.1105 7.4914 116.2879 53.7983 42.0720 176.1006 39 P 4.5280 0.0000 0.0000 61.5814 31.0344 175.6841 40 E 4.3309 8.7079 123.4264 56.2399 29.9256 174.7561 41 P 4.6747 0.0000 0.0000 63.4156 32.0155 176.1160 42 H 4.4089 8.1137 117.1510 56.6597 28.7041 174.8996 43 H 5.1346 8.5748 119.7785 53.8147 31.3581 172.6345 44 L 4.5575 8.3474 121.8370 53.3330 43.9198 175.2852 45 Y 4.8037 8.4411 120.3149 56.5626 40.1055 174.3427 46 I 5.0193 8.7709 126.2469 59.9848 39.8083 175.2433 47 T 5.2786 9.1569 122.9606 61.7700 72.1708 173.0789 48 F 5.4840 8.2091 120.0096 54.7028 42.2452 173.6033 49 K 4.5961 9.1384 122.5980 56.5555 32.0927 177.0552 50 T 4.3333 8.8293 118.9801 64.6658 69.1561 176.5739 51 K 4.2902 8.0625 118.0782 56.7716 32.4276 176.4698 52 A 4.4447 7.9712 122.5325 51.0464 20.0024 177.6009 53 A 3.9274 8.3287 122.9148 53.8369 18.6342 178.5525 54 G 3.8412 8.8602 111.7637 45.1069 0.0000 173.7090 55 V 3.9494 7.1609 120.7503 62.9589 31.9638 175.5414 56 S 4.6366 8.4990 122.2556 56.7755 66.1889 173.5961 57 G 3.9981 8.3177 107.1240 46.0104 0.0000 171.0899 58 P 4.3153 0.0000 0.0000 62.5716 32.2267 176.2147 59 Q 4.1414 8.7583 119.2282 59.1671 28.9209 179.7217 60 D 4.9439 7.6568 117.2809 53.0334 40.4813 178.2763 61 L 4.0776 7.8560 123.3092 59.6005 42.4247 177.2319 62 L 4.4436 7.9235 117.4870 56.8890 41.3989 179.3816 63 S 4.1589 7.7503 114.6532 61.4250 63.2343 176.1676 64 K 4.0156 7.8254 119.7734 58.0999 31.7622 177.2078 65 Y 4.7937 8.2565 116.7657 54.7938 38.3584 173.7077 66 P 4.8992 0.0000 0.0000 64.4729 32.1820 176.7729 67 D 4.8767 7.9481 114.0145 55.1285 43.2050 175.7462 68 E 5.1485 8.0403 114.1843 54.8921 34.1844 173.9790 69 M 4.5140 8.0638 119.1461 54.1661 36.2096 173.7272 70 T 5.1425 8.1421 120.3487 61.6398 71.7486 173.1038 71 I 4.4357 9.0266 120.4839 59.0787 40.4832 174.8810 72 V 4.1739 8.0847 118.5701 59.7048 33.0434 176.4490 73 L 3.5062 8.6861 128.5535 54.4926 39.8605 176.8784 74 Q 4.2892 8.3218 120.8851 56.4629 29.2172 175.8871 75 H 4.9745 8.1103 113.9375 55.8561 30.6777 174.3322 76 Q 4.1221 7.9111 117.0268 55.2230 28.8454 173.6588 77 Y 4.4476 5.9249 114.5164 55.1557 41.7933 174.5603 78 W 5.0317 8.5837 119.8936 55.7763 33.4640 174.3339 79 D 4.4185 9.0165 116.1063 55.0110 38.0292 174.1466 80 L 4.3455 8.2621 119.5987 55.6959 42.4712 176.8816 81 A 4.6485 8.9821 127.5463 49.0044 19.4638 170.9760 82 P 4.4182 0.0000 0.0000 62.8289 31.5786 176.5155 83 G 3.5226 8.1670 116.4295 44.4463 0.0000 170.7434 84 E 4.0386 8.2601 119.4193 58.6183 30.1945 178.2267 85 T 5.0972 7.5467 105.8108 61.1028 70.6249 172.2681 86 F 4.5939 7.1551 115.7636 56.0982 40.9977 172.5587 87 F 5.4782 8.9695 114.7827 53.9997 41.5771 173.8428 88 S 5.1497 8.4612 112.7245 57.4356 66.7961 172.8750 89 V 4.8427 8.8653 113.3484 61.1063 37.0758 172.6908 90 T 5.8424 8.8316 118.4210 61.3834 71.1877 173.8020 91 L 5.4238 8.7264 124.5149 52.6417 46.8352 175.8636 92 K 4.6465 8.8001 119.4518 56.3813 32.6800 178.0869 93 F 4.6952 8.1973 121.0242 55.8889 40.2235 174.2753 94 G 4.1676 8.1750 109.0216 44.7539 0.0000 172.8273 95 G 3.9047 7.5128 115.5723 45.4520 0.0000 172.3101 96 Q 4.6545 7.6904 120.5939 53.4658 30.1494 173.2910 97 P 5.0106 0.0000 0.0000 63.6511 31.9331 175.8199 98 K 4.7806 9.2320 120.2917 54.8788 36.8408 176.0150 99 R 4.8100 8.5889 122.1320 56.3801 31.2771 175.8452 100 L 4.7882 9.0669 123.6006 53.7862 46.2603 174.7257 101 S 4.9283 9.1974 122.3717 56.6610 65.8359 173.1046 102 V 4.2605 7.8152 125.1277 60.0924 34.3291 173.0502 103 P 4.7726 0.0000 0.0000 62.0036 32.1964 176.9497 104 Y 4.4157 8.3879 120.3401 61.1672 37.9584 178.4554 105 A 4.1013 8.0768 120.2535 53.6962 18.8633 177.5862 106 A 4.4828 8.5563 118.5920 52.3441 19.4881 177.5659 107 L 4.8928 7.5256 116.8697 55.1139 42.3059 177.0424 108 T 5.0529 9.4162 110.2252 61.8471 71.3896 173.6684 109 R 5.1713 8.1074 119.2888 55.0830 34.9330 173.7236 110 F 5.4807 8.7493 123.3851 55.9664 43.8983 172.9253 111 Y 4.7823 6.8177 120.8490 56.9388 42.3895 172.0937 112 D 4.4202 8.5869 127.7424 51.2302 42.4167 174.1148 113 P 3.7016 0.0000 0.0000 65.4243 31.3008 178.8656 114 S 4.0108 7.6494 114.9534 61.5122 62.7513 176.7056 115 V 4.2707 7.7245 109.2213 60.3176 31.8562 176.0190 116 Q 3.2104 7.4384 117.3687 56.8494 26.9848 173.7753 117 F 5.0248 7.9545 119.2699 56.7433 41.6348 174.6770 118 A 4.9762 7.5839 125.6314 50.6897 22.6308 174.5307 119 L 4.6967 8.6003 118.2522 53.4970 46.9198 175.3682 120 Q 4.6252 7.5241 116.3539 55.1961 31.1257 173.4175 121 F 5.3599 8.5877 119.9243 54.4436 43.2268 174.7878 122 S 4.4353 8.8268 115.7600 58.1480 63.5556 174.6841 123 A 4.2789 8.4187 123.4322 52.6693 18.3796 177.6062 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 P 0.00 4.44 0.00 2.07 2.19 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 7 P 0.00 4.51 0.00 2.25 2.16 0.00 3.73 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 1.91 2.01 0.00 8 E 7.82 4.61 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 2.16 2.27 0.00 9 D 8.57 4.47 0.00 2.76 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 10 L 8.43 4.43 0.00 1.62 1.63 0.90 0.93 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 11 M 8.76 4.13 0.00 0.52 1.51 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.66 0.00 12 Q 7.63 3.47 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 13 Y 8.60 4.45 0.00 3.15 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 14 E 8.39 4.01 0.00 2.05 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 2.45 2.46 0.00 15 A 7.95 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.20 4.02 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.61 0.00 17 A 8.40 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.98 4.07 0.00 2.45 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 19 D 8.38 4.45 0.00 2.90 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 20 A 8.23 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.22 4.07 0.00 2.13 1.94 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.79 3.77 0.00 1.72 1.70 0.00 3.13 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.36 0.00 23 G 8.19 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.62 3.44 2.17 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 0.99 0.00 0.00 0.98 0.00 0.00 25 V 7.39 2.92 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 0.90 0.00 0.00 0.85 0.00 0.00 26 K 7.45 3.52 0.00 0.79 1.57 0.00 1.21 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.28 1.17 7.81 27 A 7.96 3.86 1.27 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 0.00 0.00 0.00 28 A 7.98 3.85 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 29 L 7.89 3.87 0.00 1.79 1.68 0.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.07 4.01 0.00 1.96 1.83 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.65 7.81 31 K 8.14 4.23 0.00 1.84 1.83 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 32 A 7.45 4.56 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 33 A 8.47 4.30 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 34 A 7.56 3.78 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 35 P 0.00 4.22 0.00 2.05 2.09 0.00 3.68 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 2.05 2.14 0.00 36 G 10.21 3.31 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 0.00 37 G 7.80 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.49 4.11 0.00 1.80 1.66 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.53 0.00 2.26 2.24 0.00 3.73 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 2.12 1.98 0.00 40 E 8.71 4.33 0.00 1.99 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 2.36 2.36 0.00 41 P 0.00 4.67 0.00 2.17 2.12 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 42 H 8.11 4.41 0.00 3.34 3.30 0.00 5.56 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 43 H 8.57 5.13 0.00 3.07 3.17 0.00 5.50 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.35 4.56 0.00 1.52 1.57 1.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.44 4.80 0.00 3.05 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 46 I 8.77 5.02 2.14 0.00 0.00 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 1.32 1.03 1.22 0.00 0.00 47 T 9.16 5.28 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 48 F 8.21 5.48 0.00 3.27 3.24 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 49 K 9.14 4.60 0.00 1.85 1.87 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.49 7.81 50 T 8.83 4.33 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 1.16 0.00 0.00 51 K 8.06 4.29 0.00 1.92 1.98 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 52 A 7.97 4.44 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.33 3.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.86 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 55 V 7.16 3.95 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 0.84 0.00 0.00 0.96 0.00 0.00 56 S 8.50 4.64 0.00 3.81 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 57 G 8.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.32 0.00 1.81 1.76 0.00 3.44 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.49 0.00 59 Q 8.76 4.14 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.56 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 60 D 7.66 4.94 0.00 2.93 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 61 L 7.86 4.08 0.00 1.93 1.75 1.17 0.72 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 62 L 7.92 4.44 0.00 1.75 1.73 0.94 0.89 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 63 S 7.75 4.16 0.00 4.00 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 64 K 7.83 4.02 0.00 1.64 1.08 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.43 7.81 65 Y 8.26 4.79 0.00 3.09 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 66 P 0.00 4.90 0.00 2.19 2.21 0.00 3.39 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 67 D 7.95 4.88 0.00 2.80 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 68 E 8.04 5.15 0.00 1.80 1.68 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 2.20 2.28 0.00 69 M 8.06 4.51 0.00 1.06 1.21 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.08 0.00 70 T 8.14 5.14 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 1.35 0.00 0.00 71 I 9.03 4.44 1.91 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.10 1.07 0.00 0.00 72 V 8.08 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.69 0.00 0.00 73 L 8.69 3.51 0.00 1.20 0.65 0.66 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.32 4.29 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.46 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 75 H 8.11 4.97 0.00 3.13 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.91 4.12 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 77 Y 5.92 4.45 0.00 2.93 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 78 W 8.58 5.03 0.00 3.51 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 79 D 9.02 4.42 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 80 L 8.26 4.35 0.00 1.95 1.78 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.98 4.65 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.42 0.00 1.98 2.13 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 83 G 8.17 3.52 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 84 E 8.26 4.04 0.00 1.90 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 0.00 2.32 2.41 0.00 85 T 7.55 5.10 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 86 F 7.16 4.59 0.00 2.90 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 87 F 8.97 5.48 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.46 5.15 0.00 3.95 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 89 V 8.87 4.84 2.28 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 0.88 0.00 0.00 1.09 0.00 0.00 90 T 8.83 5.84 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 91 L 8.73 5.42 0.00 1.69 1.53 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.80 4.65 0.00 1.71 1.79 0.00 2.01 0.00 0.00 2.28 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.66 7.81 93 F 8.20 4.70 0.00 3.47 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 94 G 8.18 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.51 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 0.00 0.00 0.00 96 Q 7.69 4.65 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 97 P 0.00 5.01 0.00 2.12 2.08 0.00 3.73 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 1.97 1.89 0.00 98 K 9.23 4.78 0.00 1.57 1.51 0.00 1.46 0.00 0.00 1.23 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.72 7.81 99 R 8.59 4.81 0.00 1.70 1.87 0.00 3.39 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 100 L 9.07 4.79 0.00 1.80 1.63 1.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 101 S 9.20 4.93 0.00 3.49 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 0.00 102 V 7.82 4.26 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.55 0.00 0.00 103 P 0.00 4.77 0.00 2.19 1.91 0.00 3.52 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.90 0.00 104 Y 8.39 4.42 0.00 3.11 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 0.00 105 A 8.08 4.10 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 0.00 106 A 8.56 4.48 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 0.00 107 L 7.53 4.89 0.00 1.68 1.68 1.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 108 T 9.42 5.05 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 0.00 109 R 8.11 5.17 0.00 1.88 1.85 0.00 3.18 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 110 F 8.75 5.48 0.00 3.33 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 0.00 111 Y 6.82 4.78 0.00 2.83 2.57 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 0.00 0.00 0.00 0.00 112 D 8.59 4.42 0.00 2.53 2.48 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 0.00 113 P 0.00 3.70 0.00 2.07 1.97 0.00 3.41 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 114 S 7.65 4.01 0.00 3.86 3.82 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 0.00 115 V 7.72 4.27 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 0.75 0.00 0.00 1.04 0.00 0.00 116 Q 7.44 3.21 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 117 F 7.95 5.02 0.00 3.13 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 0.00 118 A 7.58 4.98 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 0.00 119 L 8.60 4.70 0.00 1.44 1.05 1.10 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 7.52 4.63 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.79 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 121 F 8.59 5.36 0.00 3.07 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 0.00 122 S 8.83 4.44 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.42 4.28 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