NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9435 8.3549 109.7363 45.2673 0.0000 173.7934 2 S 4.0402 8.4428 121.8484 59.8542 63.2207 173.1371 3 S 4.5459 7.7419 112.1636 56.7215 66.1293 173.3915 4 G 3.9571 8.2904 112.6852 43.3466 0.0000 172.4863 5 S 4.2711 8.5756 121.0883 57.6561 63.1435 173.5602 6 S 4.7669 8.5224 122.6566 56.8525 65.6390 174.7884 7 G 4.0172 8.2607 112.7645 44.3038 0.0000 170.8545 8 I 4.2749 7.9249 126.0011 60.0190 38.6135 175.5007 9 D 4.8108 8.3410 123.5118 52.4405 44.2406 175.1433 10 K 4.4351 8.5558 123.2246 55.0806 33.4584 176.1439 11 K 4.5482 8.2206 123.2390 54.6367 34.8981 175.0455 12 L 4.4569 8.1467 124.3764 55.2341 42.7682 173.7942 13 T 4.6040 8.2756 109.7048 60.1472 70.6901 174.0511 14 T 4.0625 8.5702 116.8091 64.1193 69.5930 174.8656 15 L 4.0610 7.7474 124.0314 54.0577 42.6318 175.7844 16 A 4.8406 8.0281 127.1841 51.4282 22.2701 174.1287 17 D 4.5578 8.6312 118.7516 53.4881 44.2010 176.4741 18 L 4.0829 8.9902 121.0328 58.7375 40.2795 178.5464 19 F 4.2069 8.3981 113.3605 58.6913 37.7417 175.5219 20 R 4.2237 7.4469 119.1453 52.9408 32.2582 173.8545 21 P 4.5024 0.0000 0.0000 61.6002 32.4419 175.9216 22 P 4.6007 0.0000 0.0000 61.9476 28.8440 176.5576 23 I 3.6982 8.0737 120.9540 64.8145 37.9598 178.9548 24 D 4.3973 8.1868 119.8278 57.4041 40.9523 178.1329 25 L 3.9733 7.8430 119.6074 58.2039 42.1654 176.8950 26 M 4.5815 7.4916 121.7739 55.4777 31.7993 175.7562 27 H 4.5950 8.5791 123.6005 55.3887 31.1743 174.9875 28 K 4.1800 8.2554 120.3576 55.4323 32.7121 178.0047 29 G 4.0009 8.3307 111.1889 45.7776 0.0000 173.8366 30 S 5.2405 8.3665 112.0917 54.6615 66.6762 174.9064 31 F 4.0038 9.0428 117.7776 59.3736 38.3952 177.8221 32 E 3.4794 5.9962 118.6907 59.2040 29.2080 179.0809 33 T 3.7396 7.7622 114.5547 67.0008 68.2483 175.8042 34 A 3.6814 7.1792 122.0204 55.5789 18.0304 179.8615 35 K 3.8825 7.4148 115.4752 59.8471 32.4953 178.9118 36 E 3.9030 8.5322 119.0455 59.3447 29.3494 178.7602 37 C 3.8107 9.0141 118.5807 63.1386 31.7458 176.6280 38 G 4.0016 7.7082 106.6502 48.6197 0.0000 175.0609 39 Q 4.0067 8.3923 119.8821 58.2657 28.7740 177.9891 40 M 4.1296 7.8745 120.1035 59.1622 32.3889 178.9244 41 Q 4.0063 8.4447 116.1936 56.4268 29.5292 175.8425 42 N 4.1053 8.0301 115.9766 54.6077 36.1510 173.1133 43 K 4.4462 7.4201 114.6244 53.9126 36.6547 177.2678 44 W 4.7227 7.9531 120.6094 56.6358 30.8522 175.3177 45 L 4.9695 8.6764 122.9786 53.7235 43.5135 174.6585 46 M 4.7601 8.5267 126.8578 54.0227 33.9372 174.5164 47 I 4.7750 8.1172 127.7500 60.4478 39.7683 175.0276 48 N 5.0727 8.6328 121.9129 51.8714 41.5711 173.3320 49 I 4.7663 8.2281 124.7555 59.6323 40.1565 175.2030 50 Q 4.5591 7.9658 124.6744 54.0685 32.4708 174.7589 51 N 4.1236 8.8067 122.0531 52.8488 39.3155 175.6268 52 V 4.0119 8.5006 120.8151 65.1411 31.3438 176.7237 53 Q 4.2025 7.9697 121.1683 55.3818 28.7241 175.5063 54 D 4.8154 8.7744 123.0261 53.7062 39.4716 177.7883 55 F 3.9167 7.8121 123.5086 61.7871 39.1374 176.7164 56 A 4.3506 8.1423 119.9305 55.0086 18.4700 178.9802 57 C 4.1901 8.2026 116.9655 62.9918 31.6336 175.5405 58 Q 4.0119 8.2096 118.2391 59.6629 27.7917 178.8789 59 C 4.1774 7.7781 119.2527 62.2908 31.6678 175.6697 60 L 3.7568 7.6939 119.9168 57.7392 41.5129 178.6524 61 N 4.6974 8.7698 116.8585 56.2958 38.5439 176.3252 62 R 3.9555 7.4256 119.2110 59.0225 30.6859 176.6007 63 D 4.6949 7.6052 115.5788 55.8191 43.0118 177.1639 64 V 3.0919 7.3985 116.9286 66.3717 31.2078 177.2475 65 W 4.5103 7.2337 118.9898 60.0328 29.6524 177.9282 66 S 4.0168 7.5012 110.9426 61.3088 62.0653 173.6484 67 N 4.2071 8.0588 118.7972 53.8532 39.2424 174.5750 68 E 3.9552 9.0131 127.6938 59.7642 29.3048 179.0414 69 A 3.9992 7.5822 121.5254 55.0262 18.4079 179.7455 70 V 3.7032 7.7594 116.8389 66.0759 31.5448 178.5104 71 K 3.9678 7.9830 117.7750 59.5964 32.0688 179.0294 72 N 4.4415 8.4854 116.8857 56.0438 38.3391 177.6855 73 I 4.0348 8.0888 121.3398 64.5806 37.6738 178.4986 74 I 4.1636 8.5118 120.9594 63.9039 36.6284 178.4189 75 R 4.3777 8.0168 116.4416 58.9526 29.9251 177.6048 76 E 4.2178 8.2103 119.3115 58.4852 29.6043 177.6717 77 H 4.2716 8.8720 115.6583 58.2941 29.1321 175.9078 78 F 5.5352 8.3360 116.0606 55.5811 41.8344 174.8888 79 I 4.3860 8.3722 120.1551 59.6164 38.5541 174.9984 80 F 4.3662 8.6845 129.8231 58.5929 40.6543 174.2429 81 W 4.7922 8.2849 135.0000 55.8931 33.4452 173.2911 82 Q 5.0003 7.5460 127.5968 53.2639 30.7054 174.8268 83 V 4.3164 7.3794 116.7435 59.8733 36.5058 173.8286 84 Y 4.5499 9.0197 122.1199 57.7874 38.7300 176.6821 85 H 4.2028 8.9856 118.0320 59.2885 28.7478 175.9746 86 D 4.2331 8.0964 117.8959 56.8769 41.0430 177.3258 87 S 4.3283 7.9620 112.7596 58.3175 64.6153 174.9695 88 E 3.9005 8.5905 120.3356 59.6429 29.3424 179.0214 89 E 4.1488 8.4732 118.1967 59.7837 29.6717 179.9146 90 G 4.1389 7.8381 106.5402 47.4350 0.0000 175.4536 91 Q 4.1243 7.8275 119.6963 58.9993 29.0971 179.3614 92 R 4.0373 8.2515 118.5477 59.7040 29.8206 178.5422 93 Y 4.2917 8.2306 119.0745 61.1685 38.7753 178.2397 94 I 3.6714 7.9540 120.3408 64.6362 37.0603 178.0685 95 Q 3.9192 7.9615 117.8298 59.4989 28.2240 178.1422 96 F 3.6556 7.3246 121.0244 60.8349 39.2745 175.4834 97 Y 4.5456 7.3770 111.9806 56.7783 38.3744 175.7730 98 K 3.7687 8.0704 118.2284 56.7489 30.1595 175.4781 99 L 3.9030 7.6395 118.3808 55.7333 42.7468 175.5539 100 G 4.2089 8.0611 107.7629 46.1100 0.0000 172.8858 101 D 4.9280 7.4770 118.1156 52.8442 43.2272 175.0652 102 F 4.9265 8.1836 117.0985 55.6868 42.6913 172.7267 103 P 4.7670 0.0000 0.0000 62.8824 31.9863 174.8907 104 Y 4.4628 8.3620 119.1955 55.9321 41.8670 173.9029 105 V 4.8295 7.9132 125.3490 61.4719 34.9281 174.4243 106 S 4.3575 8.2955 121.2660 57.4936 68.4035 173.1841 107 I 4.4091 7.3488 121.2966 59.6941 38.3775 174.8338 108 L 4.8860 8.4991 129.4012 53.2939 45.2710 174.3517 109 D 5.5172 8.0433 121.1841 52.3323 42.2276 175.3919 110 P 4.5192 0.0000 0.0000 64.4008 31.9098 177.1380 111 R 4.3458 8.3125 118.2780 58.1517 30.9588 177.3151 112 T 4.3099 8.0648 105.2661 61.2731 70.2131 174.6920 113 G 3.8397 8.5675 109.3775 46.5720 0.0000 172.7554 114 Q 4.6205 7.9637 119.9559 53.0562 31.1088 174.1604 115 K 4.0599 8.9965 126.4001 57.2753 32.5638 175.6896 116 L 4.4270 8.2202 125.7949 56.1172 42.9294 177.2071 117 V 4.5926 6.9693 109.6115 59.3080 36.2822 174.6427 118 E 4.1167 8.1001 119.6313 54.4874 31.9734 174.6118 119 W 5.1229 8.2379 123.0245 55.6398 32.6880 175.7647 120 H 4.0701 9.3341 122.1533 57.7682 28.8911 175.1528 121 Q 4.5401 7.9858 119.2007 54.1813 30.2695 174.5414 122 L 4.7086 8.2251 124.5926 53.4785 44.4981 174.9949 123 D 4.5907 7.8582 118.0229 52.7953 45.0839 176.7606 124 V 3.4158 8.4300 120.6615 66.4512 31.8361 178.3542 125 S 4.0670 8.0578 113.0658 61.4977 62.3892 175.6980 126 S 3.9284 7.9655 117.3160 61.3129 62.5485 175.9202 127 F 3.5625 8.5255 123.2044 61.6520 39.1291 177.2627 128 L 4.0001 7.7265 117.5932 57.9901 41.4475 178.7030 129 D 4.2976 8.1496 117.5390 57.9852 41.0265 178.5210 130 Q 3.7739 8.0873 118.2382 59.3082 28.5625 178.7935 131 V 3.5864 7.7233 119.1665 66.4799 31.3592 177.8362 132 T 4.0518 8.7477 109.3323 65.2942 68.3562 176.2299 133 G 3.6304 8.4688 108.9345 47.3419 0.0000 175.4363 134 F 4.1491 8.5620 123.1406 60.9763 39.4485 177.3811 135 L 4.3896 8.8351 119.4195 57.8661 41.2375 179.6766 136 G 3.6981 8.2867 104.8446 47.4180 0.0000 175.6575 137 E 4.0211 8.2660 120.4513 60.0682 29.6507 178.5353 138 H 4.3299 7.8545 115.8896 55.3880 29.2502 175.9208 139 G 4.6003 7.8103 108.6803 44.3707 0.0000 172.8895 140 Q 3.8198 8.5138 121.1158 55.4106 29.4661 175.9716 141 L 3.8042 7.3716 121.0825 55.0660 42.0855 176.2551 142 D 5.0065 9.5136 118.9512 52.4994 43.9460 177.5403 143 G 4.1942 7.5642 111.6244 45.1943 0.0000 175.5650 144 L 4.3793 8.1156 125.5608 54.4643 41.4936 175.8140 145 S 4.6445 8.4145 117.4517 57.0440 64.2019 173.7889 146 S 4.5440 8.3442 119.0660 56.1312 64.8061 173.5150 147 S 4.2486 8.7673 120.6897 57.8602 62.4680 172.9961 148 S 4.6521 8.5284 124.0019 57.4684 65.0217 172.6270 149 G 4.0813 8.7894 116.0832 44.3113 0.0000 171.5635 150 P 4.5093 0.0000 0.0000 62.2080 32.4707 174.9682 151 S 4.7305 8.3095 112.3874 56.7155 63.7407 173.1197 152 S 4.7407 8.5511 122.4833 57.6921 65.5390 174.4056 153 G 4.0634 8.6609 110.2815 46.0129 0.0000 173.4815 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 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 0.00 0.00 0.00 2 S 8.44 4.04 0.00 3.95 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 3 S 7.74 4.55 0.00 3.77 3.66 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 4 G 8.29 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 5 S 8.58 4.27 0.00 3.84 3.78 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 6 S 8.52 4.77 0.00 3.84 3.70 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 7 G 8.26 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 8 I 7.92 4.27 1.86 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 1.41 0.88 0.90 0.00 0.00 9 D 8.34 4.81 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.44 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 11 K 8.22 4.55 0.00 1.62 1.62 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.46 7.81 12 L 8.15 4.46 0.00 1.75 1.58 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.28 4.60 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 1.22 0.00 0.00 14 T 8.57 4.06 4.25 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 1.22 0.00 0.00 15 L 7.75 4.06 0.00 1.65 1.68 0.89 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 16 A 8.03 4.84 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 17 D 8.63 4.56 0.00 2.54 2.35 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 18 L 8.99 4.08 0.00 1.83 1.85 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.40 4.21 0.00 3.20 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 20 R 7.45 4.22 0.00 1.40 1.51 0.00 2.81 0.00 0.00 3.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 21 P 0.00 4.50 0.00 2.12 2.01 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 22 P 0.00 4.60 0.00 2.20 2.24 0.00 3.67 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 2.01 1.91 0.00 23 I 8.07 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.87 0.00 0.00 24 D 8.19 4.40 0.00 2.69 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 25 L 7.84 3.97 0.00 1.47 1.70 0.19 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.49 4.58 0.00 1.98 2.07 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 2.63 2.60 0.00 27 H 8.58 4.60 0.00 3.65 3.50 0.00 5.95 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.26 4.18 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.35 7.81 29 G 8.33 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 30 S 8.37 5.24 0.00 3.94 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 31 F 9.04 4.00 0.00 3.06 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 32 E 6.00 3.48 0.00 1.39 1.71 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 2.06 1.47 0.00 33 T 7.76 3.74 4.30 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 1.27 0.00 0.00 34 A 7.18 3.68 0.78 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 0.00 0.00 35 K 7.41 3.88 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.37 7.81 36 E 8.53 3.90 0.00 2.01 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 2.34 2.39 0.00 37 C 9.01 3.81 0.00 3.07 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 38 G 7.71 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 39 Q 8.39 4.01 0.00 2.10 2.07 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 2.47 0.00 40 M 7.87 4.13 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 41 Q 8.44 4.01 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 42 N 8.03 4.11 0.00 2.74 2.75 0.00 0.00 6.75 7.24 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 43 K 7.42 4.45 0.00 1.53 1.82 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.47 7.81 44 W 7.95 4.72 0.00 2.50 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 L 8.68 4.97 0.00 1.85 1.85 0.86 0.80 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 46 M 8.53 4.76 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 47 I 8.12 4.78 1.85 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 1.22 1.04 0.63 0.00 0.00 48 N 8.63 5.07 0.00 2.20 2.36 0.00 0.00 6.90 7.55 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 49 I 8.23 4.77 1.99 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.03 1.07 0.00 0.00 50 Q 7.97 4.56 0.00 1.52 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.15 0.00 0.00 0.00 0.00 0.00 2.11 2.36 0.00 51 N 8.81 4.12 0.00 2.30 2.37 0.00 0.00 6.37 5.44 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 52 V 8.50 4.01 2.24 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 0.76 0.00 0.00 1.03 0.00 0.00 53 Q 7.97 4.20 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.06 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 54 D 8.77 4.82 0.00 3.00 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 55 F 7.81 3.92 0.00 3.11 3.07 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 56 A 8.14 4.35 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 57 C 8.20 4.19 0.00 3.19 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 58 Q 8.21 4.01 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.61 0.00 0.00 0.00 0.00 0.00 2.11 2.50 0.00 59 C 7.78 4.18 0.00 3.04 3.12 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 60 L 7.69 3.76 0.00 1.85 0.99 1.07 0.38 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 61 N 8.77 4.70 0.00 3.02 2.93 0.00 0.00 7.21 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 62 R 7.43 3.96 0.00 2.06 1.91 0.00 3.27 0.00 0.00 3.12 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 63 D 7.61 4.69 0.00 2.64 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 64 V 7.40 3.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.61 0.00 0.00 65 W 7.23 4.51 0.00 3.33 3.10 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 66 S 7.50 4.02 0.00 4.24 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 67 N 8.06 4.21 0.00 3.09 2.69 0.00 0.00 7.00 7.05 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 68 E 9.01 3.96 0.00 2.20 2.22 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 2.39 2.36 0.00 69 A 7.58 4.00 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 70 V 7.76 3.70 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 0.71 0.00 0.00 0.87 0.00 0.00 71 K 7.98 3.97 0.00 1.93 1.72 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.27 1.68 7.81 72 N 8.49 4.44 0.00 2.96 2.92 0.00 0.00 7.09 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 73 I 8.09 4.03 2.20 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.93 1.30 0.00 0.00 74 I 8.51 4.16 2.18 0.00 0.00 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 1.97 1.43 1.29 0.00 0.00 75 R 8.02 4.38 0.00 2.03 2.14 0.00 3.07 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 76 E 8.21 4.22 0.00 2.26 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 2.28 2.35 0.00 77 H 8.87 4.27 0.00 3.83 3.25 0.00 5.64 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 78 F 8.34 5.54 0.00 3.17 3.21 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 79 I 8.37 4.39 1.95 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 1.52 1.22 0.88 0.00 0.00 80 F 8.68 4.37 0.00 3.26 3.30 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 81 W 8.28 4.79 0.00 3.19 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 82 Q 7.55 5.00 0.00 1.31 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.47 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 83 V 7.38 4.32 1.83 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 -0.35 0.00 0.00 0.58 0.00 0.00 84 Y 9.02 4.55 0.00 2.82 2.87 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 85 H 8.99 4.20 0.00 3.28 3.45 0.00 5.56 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 86 D 8.10 4.23 0.00 2.53 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 87 S 7.96 4.33 0.00 4.08 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 88 E 8.59 3.90 0.00 2.12 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 0.00 2.42 2.48 0.00 89 E 8.47 4.15 0.00 2.09 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 90 G 7.84 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 0.00 0.00 0.00 91 Q 7.83 4.12 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.98 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 92 R 8.25 4.04 0.00 2.03 1.96 0.00 3.11 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 93 Y 8.23 4.29 0.00 3.30 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.95 3.67 2.15 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 1.74 1.02 1.01 0.00 0.00 95 Q 7.96 3.92 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.27 0.00 96 F 7.32 3.66 0.00 2.79 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 97 Y 7.38 4.55 0.00 2.60 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 98 K 8.07 3.77 0.00 1.86 1.85 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.47 7.81 99 L 7.64 3.90 0.00 0.88 1.33 0.72 0.88 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 0.00 100 G 8.06 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 0.00 0.00 0.00 101 D 7.48 4.93 0.00 2.71 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 0.00 102 F 8.18 4.93 0.00 2.95 2.98 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 0.00 103 P 0.00 4.77 0.00 2.35 2.39 0.00 3.82 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 2.09 2.06 0.00 104 Y 8.36 4.46 0.00 3.08 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.91 4.83 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 1.22 0.00 0.00 1.22 0.00 0.00 106 S 8.30 4.36 0.00 3.42 3.50 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 0.00 107 I 7.35 4.41 1.22 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.41 0.51 0.00 0.00 108 L 8.50 4.89 0.00 1.75 1.51 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.04 5.52 0.00 3.04 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 0.00 110 P 0.00 4.52 0.00 2.27 2.16 0.00 4.02 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.22 0.00 111 R 8.31 4.35 0.00 2.07 2.04 0.00 3.10 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 112 T 8.06 4.31 4.30 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 1.27 0.00 0.00 113 G 8.57 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 0.00 114 Q 7.96 4.62 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 115 K 9.00 4.06 0.00 1.93 1.84 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.37 7.81 116 L 8.22 4.43 0.00 1.56 1.72 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 117 V 6.97 4.59 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 1.02 0.00 0.00 -0.26 0.00 0.00 118 E 8.10 4.12 0.00 1.66 1.69 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 2.09 2.28 0.00 119 W 8.24 5.12 0.00 3.31 2.84 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 0.00 120 H 9.33 4.07 0.00 3.12 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.99 4.54 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 122 L 8.23 4.71 0.00 1.60 1.45 0.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.86 4.59 0.00 2.63 2.40 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 0.00 124 V 8.43 3.42 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 0.93 0.00 0.00 125 S 8.06 4.07 0.00 3.89 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 0.00 126 S 7.97 3.93 0.00 3.85 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 0.00 127 F 8.53 3.56 0.00 2.83 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 0.00 128 L 7.73 4.00 0.00 2.03 1.76 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.15 4.30 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.09 3.77 0.00 1.22 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 5.89 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 131 V 7.72 3.59 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 1.15 0.00 0.00 -0.15 0.00 0.00 132 T 8.75 4.05 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 1.28 0.00 0.00 133 G 8.47 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.56 4.15 0.00 3.24 3.27 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 0.00 135 L 8.84 4.39 0.00 2.00 1.84 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.29 3.70 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 0.00 0.00 0.00 137 E 8.27 4.02 0.00 1.80 1.70 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 2.31 2.45 0.00 138 H 7.85 4.33 0.00 2.68 3.10 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.81 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 0.00 0.00 0.00 0.00 140 Q 8.51 3.82 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 141 L 7.37 3.80 0.00 1.42 1.37 -0.38 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 142 D 9.51 5.01 0.00 2.61 2.54 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 0.00 143 G 7.56 4.19 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 0.00 0.00 0.00 144 L 8.12 4.38 0.00 1.72 1.65 0.90 0.51 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 0.00 145 S 8.41 4.64 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 0.00 146 S 8.34 4.54 0.00 3.91 3.80 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 0.00 147 S 8.77 4.25 0.00 3.85 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 0.00 148 S 8.53 4.65 0.00 3.86 3.74 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 0.00 149 G 8.79 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.51 0.00 2.20 2.11 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 151 S 8.31 4.73 0.00 3.84 3.78 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 0.00 152 S 8.55 4.74 0.00 3.88 3.74 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 0.00 153 G 8.66 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