NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4176 8.3049 120.3481 55.0767 33.3414 175.0752 2 L 4.0734 8.3905 126.4663 54.2599 42.3420 175.5636 3 K 4.3312 8.6872 120.7181 56.9751 33.5240 176.1858 4 Q 4.5481 7.4820 119.6654 53.9671 32.5265 174.4229 5 V 3.9980 8.6516 126.5369 63.0560 32.8252 174.2960 6 E 4.9194 8.8598 127.2254 54.6072 32.2397 174.9855 7 I 4.9590 7.9176 124.1902 59.4338 41.0002 174.4837 8 F 5.4906 9.1381 124.7215 55.9865 42.5004 174.1834 9 T 5.3474 8.7548 112.2610 60.8031 72.2964 172.3683 10 D 4.7833 8.9443 120.3384 53.8945 45.2192 174.0956 11 G 4.5712 8.5449 108.4419 45.4448 0.0000 171.5664 12 S 4.8634 8.9956 113.8682 57.5271 66.4585 172.4610 13 C 5.0375 8.2413 122.3210 58.6613 33.6986 173.9216 14 L 4.2314 8.8643 125.6510 56.4643 41.7662 176.3942 15 G 4.1160 7.4449 105.0742 44.7504 0.0000 172.1820 16 N 4.9528 8.2179 115.9187 51.1448 38.8616 172.3886 17 P 4.6162 0.0000 0.0000 61.9157 33.7970 174.8831 18 G 4.1097 8.1857 106.2015 44.8503 0.0000 170.8605 19 P 4.9611 0.0000 0.0000 62.7122 32.4257 175.7983 20 G 4.4119 9.3431 108.8846 45.9498 0.0000 171.3810 21 G 4.6438 8.9956 106.8052 45.5638 0.0000 171.2411 22 Y 5.5990 8.3815 116.7625 55.3652 42.2157 174.6234 23 G 4.6658 9.4205 106.9023 44.6911 0.0000 171.3970 24 A 5.4636 9.5201 125.4284 50.3017 23.0770 174.6936 25 I 5.0427 9.2168 123.3620 59.3855 40.2315 174.4308 26 L 5.1913 9.6509 129.0640 53.4284 45.2455 175.2244 27 R 5.0526 9.6244 126.5117 54.1216 31.4755 174.3287 28 Y 5.1189 7.9436 124.6787 55.6884 42.6053 174.2822 29 R 3.7447 9.0131 125.5306 57.7931 28.2770 177.1257 30 G 4.0325 8.9175 114.4871 46.0176 0.0000 171.7971 31 R 4.5448 7.6451 119.4853 53.9316 32.8545 174.1386 32 E 4.8208 8.4647 118.7187 54.8125 31.7573 174.7380 33 K 4.5349 9.1467 127.5181 55.1461 34.4983 175.8014 34 T 5.0259 8.1243 120.1977 61.7448 71.2656 173.3703 35 F 4.9683 8.6643 124.3802 55.8809 42.7136 174.2937 36 S 4.8362 8.8281 112.6732 58.3463 65.0103 174.4114 37 A 4.4910 7.2138 126.8658 50.5430 22.7941 174.8552 38 G 4.2401 8.4058 106.4431 44.6167 0.0000 171.8506 39 Y 5.2007 9.4461 120.4393 55.8817 41.3578 176.6034 40 T 3.8750 8.9472 114.6884 64.5926 69.9389 173.9620 41 R 4.5013 7.8132 122.6476 55.3156 32.6069 173.3781 42 T 4.0813 8.9878 124.1001 61.5799 70.5313 172.0270 43 T 4.8033 8.0651 108.5905 59.0848 72.5017 174.2389 44 N 4.2409 8.6769 119.2895 57.0610 39.0502 176.3218 45 N 4.0589 8.0049 117.2628 56.5540 38.4450 177.4553 46 R 3.8597 7.4969 117.8323 59.3618 30.1064 179.0953 47 M 4.0481 7.6844 117.7687 58.4132 31.6186 178.6861 48 E 4.0955 8.2470 118.7920 59.1935 29.6021 179.5138 49 L 3.7456 7.7520 118.7463 57.9669 41.8380 179.1245 50 M 3.8081 8.1056 117.8750 58.1347 31.6318 178.0976 51 A 3.5970 7.8726 120.9051 55.0795 18.6556 179.4652 52 A 3.9267 7.4824 118.7679 55.1666 18.4668 179.8687 53 I 3.5187 7.5183 118.2019 64.5941 37.0181 178.7029 54 V 3.3259 6.9930 116.7822 65.8556 31.3622 177.6487 55 A 3.6935 7.3019 119.9388 54.9862 18.1493 179.7004 56 L 3.7543 7.7089 117.5068 57.8576 41.5443 179.4361 57 E 3.9467 8.3762 116.8953 58.4511 29.4093 178.4777 58 A 4.3923 7.1592 119.7946 52.4495 18.7132 177.2322 59 L 3.6643 7.3865 118.2540 53.7889 41.1619 177.1698 60 K 4.2861 8.2287 123.2759 57.2800 32.4872 176.5649 61 E 4.7508 7.8122 115.0158 53.7750 32.8783 174.5601 62 A 4.2884 8.3400 120.9058 52.0223 18.9657 176.5993 63 C 4.8914 8.8329 118.0056 58.2358 33.9128 172.9268 64 E 4.8323 8.6953 119.3316 55.2547 30.5035 175.5044 65 V 4.6866 9.0601 125.8558 61.0027 34.8732 174.4565 66 I 4.6869 7.9359 124.1236 59.1587 40.9617 173.4394 67 L 4.7760 8.3102 132.1824 53.0384 44.7624 174.7897 68 S 5.4348 8.7130 120.4309 55.8075 65.2596 172.4751 69 T 5.1855 8.5570 120.0749 61.0285 70.9918 173.1247 70 D 5.3287 8.7839 124.4672 52.3640 40.0044 175.5939 71 S 4.5545 8.0441 116.4895 58.4277 62.8813 174.7472 72 Q 3.8135 8.7566 128.8181 58.9716 28.8409 177.1701 73 Y 4.2200 7.6160 118.8807 60.5722 38.8999 177.9170 74 V 3.7255 7.8203 118.8783 65.9101 31.6472 177.8897 75 R 2.0000 7.1479 118.2673 58.9161 29.7946 178.2957 76 Q 3.2578 7.7796 118.1225 58.5278 28.4382 179.6415 77 G 2.5811 7.2846 106.3960 47.5389 0.0000 175.9296 78 I 3.4667 7.5273 122.1777 63.6762 37.0922 178.0880 79 T 4.0418 7.6621 109.4104 62.9976 69.2447 175.5059 80 Q 4.3165 7.1188 116.5847 54.4549 31.3323 176.2620 81 W 3.9784 7.0349 116.0232 57.6112 30.8235 177.0482 82 I 3.1805 6.8624 118.5862 64.4500 37.4162 177.0896 83 H 3.9142 7.8462 118.0939 59.4667 29.1847 176.7884 84 N 4.3597 7.6772 117.6209 55.9033 38.3287 177.3775 85 W 4.2481 7.6091 120.4842 59.3314 29.0108 178.8662 86 K 3.3711 7.2776 118.1387 59.2521 31.2969 179.5090 87 K 3.9190 7.1975 116.0341 58.7749 31.8027 178.4962 88 R 4.4744 7.3926 115.1979 54.6331 30.7178 176.2186 89 G 3.9590 8.0251 106.3029 47.6256 0.0000 174.0885 90 W 3.5168 8.3765 114.3604 57.6241 27.5822 174.7736 91 K 4.7329 7.3530 115.1588 54.5729 35.8589 177.0807 92 T 4.2506 8.8112 112.0557 60.5495 69.8983 175.7358 93 A 4.0022 8.4441 124.5032 55.0569 18.4074 178.0092 94 D 4.6525 8.0179 113.2850 53.0353 39.4918 176.3672 95 K 3.8639 7.8000 116.7572 57.8579 30.1042 175.6254 96 K 4.6107 7.5064 116.8967 53.6523 34.4680 174.1007 97 P 4.7705 0.0000 0.0000 62.6608 31.7268 177.1181 98 V 3.5534 7.6910 117.1709 61.0354 31.4324 175.9588 99 K 3.9776 8.3573 124.2334 56.9510 33.5790 176.6682 100 N 4.3499 9.0319 122.9935 54.4388 36.2701 176.8071 101 V 3.6223 7.2112 118.5117 64.9436 30.8859 177.1426 102 D 4.2517 8.0038 119.4147 56.1011 39.1495 178.3399 103 L 3.8940 7.5704 119.5894 56.9987 42.0453 178.9529 104 W 4.5983 8.3403 119.1227 60.1331 29.1074 178.6428 105 Q 3.5455 7.9386 117.9316 58.4600 27.5594 178.6983 106 R 3.8754 7.4624 119.6768 59.2552 30.0529 178.3343 107 L 4.0353 8.3803 120.6786 57.8828 41.8625 178.1224 108 D 4.5653 8.3123 117.2173 57.5369 40.9901 177.9261 109 A 4.1823 7.9749 120.2766 55.3400 18.2051 179.5562 110 A 4.0245 7.6114 117.2516 54.9353 18.6952 179.2381 111 L 4.4295 8.0397 116.9408 56.6339 41.7579 179.3514 112 G 3.7598 7.6739 106.9288 48.3469 0.0000 174.5069 113 Q 4.1747 7.9571 117.1445 56.9887 29.3298 174.4957 114 H 5.0334 7.7100 113.7947 53.8618 33.1999 172.9363 115 Q 4.4765 8.9194 119.3988 55.0123 29.9132 175.1446 116 I 4.6796 8.3016 124.6982 59.0698 40.4792 174.8058 117 K 4.3954 8.4715 128.0266 54.3590 34.3910 174.5922 118 W 4.4055 8.6016 127.7913 55.3852 30.6518 175.6429 119 E 4.2111 9.1558 126.7897 53.9422 31.2277 174.9698 120 W 5.0039 8.4118 127.7263 56.4236 29.3040 176.8108 121 V 4.2133 8.7805 119.1375 60.4218 33.4334 175.5989 122 K 4.7292 8.4280 121.3980 54.6728 33.5425 177.9798 123 G 4.4023 9.0219 113.0477 47.0704 0.0000 173.7737 124 H 4.6665 8.1426 111.6255 55.7518 29.0474 175.0743 125 A 4.6074 8.2154 124.0865 51.6560 19.2074 176.6673 126 G 3.8909 8.0048 109.8984 46.1542 0.0000 173.5891 127 H 4.6800 8.6849 116.4625 54.0130 29.7961 174.9546 128 P 4.4088 0.0000 0.0000 66.2078 30.9418 178.8175 129 E 3.7455 7.8082 116.8159 59.0697 29.3037 178.7618 130 N 4.4752 8.1838 116.6883 56.3851 38.6062 177.2351 131 E 3.9986 8.1494 119.5347 59.4543 29.4945 179.2612 132 R 3.9238 7.7945 118.8610 59.4578 30.0444 178.3426 133 C 4.1837 7.9788 116.5222 62.7328 28.0482 175.4869 134 D 4.5206 7.9488 120.8310 56.8795 40.9595 177.9830 135 E 3.9271 8.1852 119.7303 59.1737 29.6240 178.7737 136 L 3.9351 8.2989 119.0864 57.6990 41.6284 179.1337 137 A 4.0051 8.3412 121.0646 55.3873 18.0992 179.9082 138 R 3.8471 8.0700 115.0136 59.4102 30.3452 178.8547 139 A 4.1035 7.9510 120.0875 55.0315 18.3361 179.4969 140 A 3.8547 8.1381 119.0675 55.3169 18.2913 179.7355 141 A 4.2090 7.6434 117.3295 54.8847 18.4883 178.9939 142 M 4.3310 7.5166 115.8035 56.1869 33.6166 176.5263 143 N 4.9562 7.6200 117.0809 51.3150 39.5041 170.9861 144 P 4.4886 0.0000 0.0000 62.1894 32.7137 177.2057 145 T 4.4557 8.2225 109.4162 60.8086 70.4795 173.3576 146 L 4.6042 7.4699 122.1849 52.7920 44.3860 174.4581 147 E 4.7822 8.4607 120.5666 54.5426 31.1352 175.2325 148 D 4.7563 8.7158 126.0296 53.2002 40.2460 175.8679 149 T 4.0416 8.6395 124.4108 66.7000 68.6543 176.7509 150 G 4.4396 7.9976 105.5899 45.4098 0.0000 172.8183 151 Y 4.2680 7.4152 120.7147 57.3510 38.0834 174.9601 152 Q 4.1189 6.8213 123.6225 54.0423 32.9353 176.1770 153 V 3.8728 7.9834 121.2475 65.6291 32.8355 178.5866 154 E 4.4395 7.1602 120.0859 56.0822 28.5647 177.0240 155 V 3.6589 8.0383 126.4332 63.7025 31.6126 175.4817 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 M 8.30 4.42 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 2 L 8.39 4.07 0.00 1.78 1.76 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.69 4.33 0.00 1.73 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.36 7.81 4 Q 7.48 4.55 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.93 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 5 V 8.65 4.00 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 0.76 0.00 0.00 1.04 0.00 0.00 6 E 8.86 4.92 0.00 2.06 1.61 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 2.13 2.39 0.00 7 I 7.92 4.96 1.59 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.82 0.00 0.00 8 F 9.14 5.49 0.00 3.04 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 9 T 8.75 5.35 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 1.28 0.00 0.00 10 D 8.94 4.78 0.00 2.86 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 11 G 8.54 4.57 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 0.00 0.00 0.00 12 S 9.00 4.86 0.00 3.92 3.68 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 13 C 8.24 5.04 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.86 4.23 0.00 1.68 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.44 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.22 4.95 0.00 2.65 2.68 0.00 0.00 6.88 7.69 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 17 P 0.00 4.62 0.00 1.72 1.37 0.00 3.88 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 1.95 2.12 0.00 18 G 8.19 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.96 0.00 2.34 2.19 0.00 3.86 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 2.06 1.81 0.00 20 G 9.34 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.00 4.64 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 0.00 0.00 0.00 22 Y 8.38 5.60 0.00 3.16 3.08 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 23 G 9.42 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 0.00 0.00 0.00 0.00 24 A 9.52 5.46 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 25 I 9.22 5.04 2.09 0.00 0.00 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 1.14 0.91 1.05 0.00 0.00 26 L 9.65 5.19 0.00 1.88 1.79 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.62 5.05 0.00 1.87 1.94 0.00 3.18 0.00 0.00 3.33 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 28 Y 7.94 5.12 0.00 2.92 2.72 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 0.00 0.00 0.00 0.00 29 R 9.01 3.74 0.00 1.79 0.87 0.00 2.94 0.00 0.00 2.33 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 30 G 8.92 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 31 R 7.65 4.54 0.00 1.83 1.85 0.00 3.08 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 32 E 8.46 4.82 0.00 1.94 1.81 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 2.20 2.35 0.00 33 K 9.15 4.53 0.00 1.81 1.34 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.42 7.81 34 T 8.12 5.03 4.16 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 1.22 0.00 0.00 35 F 8.66 4.97 0.00 3.35 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 36 S 8.83 4.84 0.00 3.78 3.59 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 37 A 7.21 4.49 1.06 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 38 G 8.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.45 5.20 0.00 2.90 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 40 T 8.95 3.87 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 1.26 0.00 0.00 41 R 7.81 4.50 0.00 1.78 1.80 0.00 3.27 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 42 T 8.99 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 43 T 8.07 4.80 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 1.21 0.00 0.00 44 N 8.68 4.24 0.00 2.82 2.80 0.00 0.00 6.86 6.71 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 45 N 8.00 4.06 0.00 2.37 1.50 0.00 0.00 7.05 7.66 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 46 R 7.50 3.86 0.00 1.92 1.85 0.00 3.39 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 47 M 7.68 4.05 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 48 E 8.25 4.10 0.00 2.11 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 2.40 2.60 0.00 49 L 7.75 3.75 0.00 1.80 1.46 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.11 3.81 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.45 0.00 51 A 7.87 3.60 1.51 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 0.00 0.00 52 A 7.48 3.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.52 3.52 1.70 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 1.36 0.63 0.85 0.00 0.00 54 V 6.99 3.33 1.57 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 0.42 0.00 0.00 0.67 0.00 0.00 55 A 7.30 3.69 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 56 L 7.71 3.75 0.00 1.63 1.62 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.38 3.95 0.00 1.79 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 2.30 2.47 0.00 58 A 7.16 4.39 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.39 3.66 0.00 1.58 1.44 0.51 0.10 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 60 K 8.23 4.29 0.00 1.95 1.94 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.60 7.81 61 E 7.81 4.75 0.00 2.05 1.94 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 2.26 2.30 0.00 62 A 8.34 4.29 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 63 C 8.83 4.89 0.00 2.79 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 64 E 8.70 4.83 0.00 1.87 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 2.29 2.27 0.00 65 V 9.06 4.69 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 0.59 0.00 0.00 0.71 0.00 0.00 66 I 7.94 4.69 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.24 0.79 0.00 0.00 67 L 8.31 4.78 0.00 1.02 0.46 0.59 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.71 5.43 0.00 3.87 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 69 T 8.56 5.19 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 70 D 8.78 5.33 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.04 4.55 0.00 3.97 3.97 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 72 Q 8.76 3.81 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 73 Y 7.62 4.22 0.00 3.20 3.23 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 74 V 7.82 3.73 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 1.04 0.00 0.00 1.03 0.00 0.00 75 R 7.15 2.00 0.00 0.67 1.25 0.00 2.38 0.00 0.00 2.62 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 76 Q 7.78 3.26 0.00 1.42 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.90 2.16 0.00 77 G 7.28 2.58 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 0.00 78 I 7.53 3.47 1.53 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 -0.08 0.37 0.00 0.00 79 T 7.66 4.04 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 1.06 0.00 0.00 80 Q 7.12 4.32 0.00 1.38 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.00 1.83 0.00 81 W 7.03 3.98 0.00 1.78 1.74 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 82 I 6.86 3.18 1.72 0.00 0.00 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 1.42 1.27 0.84 0.00 0.00 83 H 7.85 3.91 0.00 3.17 3.15 0.00 5.92 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 84 N 7.68 4.36 0.00 2.63 2.72 0.00 0.00 7.14 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.61 4.25 0.00 2.78 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 86 K 7.28 3.37 0.00 1.55 1.73 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.14 7.81 87 K 7.20 3.92 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.54 7.81 88 R 7.39 4.47 0.00 1.88 1.91 0.00 3.26 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 89 G 8.03 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 90 W 8.38 3.52 0.00 3.45 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.35 4.73 0.00 1.98 1.63 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.34 7.81 92 T 8.81 4.25 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 1.11 0.00 0.00 93 A 8.44 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.02 4.65 0.00 2.76 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 95 K 7.80 3.86 0.00 1.94 1.95 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.53 7.81 96 K 7.51 4.61 0.00 1.75 1.64 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.34 7.81 97 P 0.00 4.77 0.00 1.87 1.94 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 98 V 7.69 3.55 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 -0.22 0.00 0.00 0.63 0.00 0.00 99 K 8.36 3.98 0.00 1.84 1.78 0.00 1.92 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.47 7.81 100 N 9.03 4.35 0.00 3.25 2.92 0.00 0.00 6.88 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.21 3.62 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 0.79 0.00 0.00 0.67 0.00 0.00 102 D 8.00 4.25 0.00 2.83 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 0.00 103 L 7.57 3.89 0.00 1.64 1.53 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.34 4.60 0.00 3.39 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 0.00 105 Q 7.94 3.55 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 1.16 1.42 0.00 106 R 7.46 3.88 0.00 2.01 2.01 0.00 3.05 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 107 L 8.38 4.04 0.00 1.79 1.97 1.04 1.24 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 0.00 108 D 8.31 4.57 0.00 3.25 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.97 4.18 1.41 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 0.00 0.00 0.00 0.00 0.00 110 A 7.61 4.02 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 0.00 111 L 8.04 4.43 0.00 1.82 1.87 1.26 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.67 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.96 4.17 0.00 1.63 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 114 H 7.71 5.03 0.00 2.94 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.92 4.48 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 116 I 8.30 4.68 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.65 -0.01 0.00 0.00 117 K 8.47 4.40 0.00 1.70 1.65 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.17 1.28 7.81 118 W 8.60 4.41 0.00 2.85 1.77 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 0.00 119 E 9.16 4.21 0.00 1.78 1.75 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 2.18 2.21 0.00 120 W 8.41 5.00 0.00 3.27 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 0.00 121 V 8.78 4.21 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 0.87 0.00 0.00 1.10 0.00 0.00 122 K 8.43 4.73 0.00 1.67 1.63 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.36 7.81 123 G 9.02 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 0.00 0.00 0.00 0.00 124 H 8.14 4.67 0.00 3.29 3.44 0.00 5.49 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 0.00 125 A 8.22 4.61 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.00 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 0.00 0.00 0.00 127 H 8.68 4.68 0.00 3.28 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.41 0.00 2.07 2.09 0.00 3.62 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 2.09 2.19 0.00 129 E 7.81 3.75 0.00 1.16 1.12 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 1.51 2.03 0.00 130 N 8.18 4.48 0.00 2.89 2.97 0.00 0.00 6.98 7.49 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 0.00 131 E 8.15 4.00 0.00 2.12 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 2.41 2.52 0.00 132 R 7.79 3.92 0.00 1.80 1.99 0.00 3.08 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 7.98 4.18 0.00 3.38 3.08 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 0.00 134 D 7.95 4.52 0.00 3.04 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 0.00 135 E 8.19 3.93 0.00 2.27 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 0.00 2.31 2.35 0.00 136 L 8.30 3.94 0.00 1.93 1.70 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.34 4.01 1.48 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 0.00 138 R 8.07 3.85 0.00 1.93 2.01 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 139 A 7.95 4.10 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 0.00 140 A 8.14 3.85 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.64 4.21 1.41 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 0.00 0.00 0.00 0.00 0.00 142 M 7.52 4.33 0.00 1.94 2.27 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 2.61 2.84 0.00 143 N 7.62 4.96 0.00 2.61 2.62 0.00 0.00 7.20 7.83 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 0.00 144 P 0.00 4.49 0.00 2.22 2.14 0.00 3.73 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 1.96 1.94 0.00 145 T 8.22 4.46 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 1.15 0.00 0.00 146 L 7.47 4.60 0.00 0.78 1.32 0.54 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.46 4.78 0.00 1.95 1.89 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 2.28 2.33 0.00 148 D 8.72 4.76 0.00 2.57 2.77 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 0.00 149 T 8.64 4.04 4.29 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 1.23 0.00 0.00 150 G 8.00 4.44 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 0.00 151 Y 7.42 4.27 0.00 2.97 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 0.00 152 Q 6.82 4.12 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 153 V 7.98 3.87 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 0.82 0.00 0.00 0.88 0.00 0.00 154 E 7.16 4.44 0.00 1.84 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 2.27 2.23 0.00 155 V 8.04 3.66 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 0.69 0.00 0.00 0.87 0.00 0.00