NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8354 8.3501 109.7342 44.9242 0.0000 173.5202 3 A 3.8419 8.3392 122.0194 53.1210 18.9043 177.8103 4 R 4.4627 7.9702 111.6806 56.1952 30.5596 173.7791 5 A 3.8149 7.5580 119.7474 53.9350 18.2876 176.5302 6 S 4.5684 8.2337 110.3629 59.8531 65.0152 176.5446 7 V 3.6789 7.7002 118.9761 65.0136 31.5908 175.5766 8 L 4.7324 7.1658 117.5074 51.9610 45.6415 177.1409 9 S 5.2528 7.9246 117.1326 56.8002 64.9391 174.9209 10 G 3.7732 8.6478 108.3549 48.0551 0.0000 175.8391 11 G 3.6380 8.0274 108.3528 47.4246 0.0000 175.3743 12 E 4.0487 8.2042 120.6973 59.0507 29.3986 179.3499 13 L 4.2254 8.3805 119.6683 57.6254 41.4951 178.8408 14 D 4.3661 8.1400 117.5555 57.2098 41.4470 177.9483 15 K 4.1193 8.3916 120.2844 59.1126 32.3791 178.5409 16 W 4.2714 8.6935 129.4128 59.8391 30.3051 175.9700 17 E 4.9828 8.3221 117.7975 56.0308 30.7405 176.6444 18 K 4.3915 7.7106 119.5971 56.9861 33.9467 175.5616 19 I 4.1629 6.8095 119.1569 61.2647 38.4746 175.4847 20 R 4.7556 8.7553 125.4315 55.8100 31.3589 177.5441 21 L 4.3155 8.6456 122.2220 56.8466 42.3643 177.7583 22 R 4.7678 7.7578 115.1395 53.4176 33.7715 173.6610 23 P 4.3588 0.0000 0.0000 65.0921 31.6583 177.4187 24 G 3.9041 8.0434 104.5788 44.9485 0.0000 173.3174 25 G 4.0481 7.4709 108.8816 44.2332 0.0000 172.8291 26 K 4.6455 8.1986 117.0077 56.1103 32.6139 176.0315 27 K 4.9163 7.8656 116.6646 54.8612 35.7646 176.0978 28 Q 5.1460 8.2483 118.6032 55.2098 31.9899 173.7200 29 Y 3.9770 8.9509 118.0124 58.1035 39.4502 174.8195 30 K 4.6993 8.0972 120.4163 54.6381 35.1843 175.2863 31 L 4.0811 8.4272 121.8713 57.9812 41.5578 178.6938 32 K 4.0200 8.1098 119.2831 59.9615 32.2767 178.3822 33 H 4.4976 8.2819 116.0150 58.9225 28.7145 177.7432 34 I 3.8654 8.2780 121.9360 64.3669 36.8584 178.6761 35 V 3.6934 8.5408 119.5961 65.4843 31.3190 177.9496 36 W 4.1738 8.4767 128.0382 60.4700 30.6327 177.8069 37 A 3.3991 8.5828 121.0823 55.0506 17.8197 179.4486 38 S 3.9686 8.3774 111.9943 61.4769 62.3801 176.3935 39 R 3.8344 8.1895 121.7871 59.4196 29.7677 178.1759 40 E 3.6129 7.8415 119.1423 58.8250 29.4485 178.7958 41 L 3.8609 8.0362 119.3972 57.9612 41.6405 179.3508 42 E 4.2891 8.4509 120.1133 58.9711 29.1313 179.6376 43 R 4.0764 7.9312 117.1665 58.5252 30.2917 178.0916 44 F 4.5927 8.2206 115.4791 57.3183 39.4270 175.1550 45 A 3.7263 7.9195 120.5695 53.3083 16.3380 178.0388 46 V 4.4495 8.1149 118.9661 62.0059 34.4090 174.0485 47 N 4.5488 8.6178 125.2424 52.7202 39.8585 173.6677 48 P 4.4724 0.0000 0.0000 65.9604 31.7439 178.9578 49 G 3.6280 8.0122 105.5791 46.8336 0.0000 175.0896 50 L 4.1827 7.8225 120.6555 57.1931 40.4918 177.7060 51 L 4.4065 7.5735 120.3726 55.6756 42.5850 177.3580 52 E 4.0373 8.1374 118.1699 59.1890 30.0894 177.2360 53 T 4.0570 7.2679 109.6525 60.9223 69.8641 175.4507 54 S 4.1924 8.6165 120.2132 61.6539 62.7284 177.0988 55 E 4.1429 8.1810 121.2031 59.4557 29.3821 179.2653 56 G 3.9410 8.1628 107.1113 47.3157 0.0000 175.3240 57 C 4.1690 8.3993 121.0660 62.4040 31.6171 175.6886 58 R 3.7037 8.4206 120.3835 59.2620 29.5273 178.5405 59 Q 3.9771 8.5760 118.3275 58.9836 28.6982 178.6739 60 I 3.7086 7.8887 120.8122 64.3977 37.1271 178.0899 61 L 3.9411 8.0599 121.2267 58.3070 41.6085 179.3240 62 G 3.6529 8.0620 104.3205 47.1851 0.0000 175.1831 63 Q 4.1557 8.1475 121.5330 58.5359 29.3297 177.1863 64 L 4.4469 8.4050 119.1493 55.5972 41.6116 178.4418 65 Q 3.9674 8.1984 121.0491 58.9212 28.8946 177.5049 66 P 4.2889 0.0000 0.0000 65.9362 31.7633 178.2914 67 S 4.1563 8.0579 114.1251 60.7879 62.6233 176.5167 68 L 3.9385 8.2045 122.7444 57.4966 41.0951 178.8013 69 Q 3.8956 7.6871 119.3766 59.1947 29.0287 178.1178 70 T 4.6237 7.4611 110.6156 61.3680 67.7835 173.5476 71 G 4.2242 8.2244 109.0111 43.6716 0.0000 174.4500 72 S 4.6360 8.1783 114.3409 57.0355 65.8551 174.8791 73 E 4.0205 8.6240 121.4832 59.7514 29.0822 179.6234 74 E 4.1832 8.1846 117.9991 59.3674 29.6665 178.8344 75 L 3.9524 8.1429 120.3950 58.2298 42.0789 179.2926 76 R 3.9486 8.5523 118.2619 59.5555 30.0574 179.1541 77 S 4.2791 8.3788 114.9364 61.5404 62.7283 176.6596 78 L 3.8938 8.3727 123.3206 58.2982 41.7736 178.2603 79 Y 4.0518 8.2769 119.5413 60.9113 38.6417 177.9622 80 N 4.4573 8.7753 117.3686 56.7431 38.6616 177.5034 81 T 4.8430 8.1461 118.4937 66.4211 68.4910 176.7661 82 I 3.8056 8.3069 121.9027 64.1990 37.0432 178.2609 83 A 3.8744 7.9908 121.8060 55.1989 18.1723 179.7956 84 V 3.5599 8.1300 116.7785 66.0627 31.5100 177.8737 85 L 4.2105 8.5698 120.1839 58.5645 41.8810 178.3495 86 Y 4.0410 8.4736 119.7770 60.8198 38.5869 177.8309 87 C 4.1107 8.4684 117.8639 62.9262 28.3543 176.3201 88 V 3.2883 8.0689 119.8032 66.2162 30.8326 177.8260 89 H 4.2926 7.9983 115.6385 58.3893 28.6480 176.6661 90 Q 4.0013 7.7246 118.6452 55.2363 30.1070 174.4058 91 R 3.6822 7.5112 116.7088 58.0168 28.0834 175.7719 92 I 4.4862 8.3281 119.4140 59.2502 39.6383 176.3180 93 D 4.5559 8.4760 124.5906 53.4734 40.0945 175.6239 94 V 4.5487 7.7556 113.1442 60.5032 36.3123 174.4940 95 K 4.4017 8.5245 116.7369 56.8277 35.4920 176.3725 96 D 5.2712 7.5197 116.4139 50.8768 43.8829 176.0785 97 T 3.7760 8.6934 114.8802 65.0942 67.2543 176.4336 98 K 3.9582 7.9502 121.3100 59.2749 32.3729 178.1552 99 E 3.8739 8.5354 119.4745 59.4130 29.5384 178.7167 100 A 4.0613 8.1521 120.7576 55.1186 18.4042 179.5931 101 L 4.0341 8.0640 117.6334 58.0587 41.7274 179.2878 102 D 4.4589 8.6744 118.4021 56.8660 41.1115 178.2126 103 K 3.9207 8.4299 120.7501 59.7218 32.2904 178.9898 104 I 3.7827 8.2237 120.5389 64.1915 36.9742 178.0353 105 E 4.0106 8.5668 120.7790 59.1015 29.4346 178.6132 106 E 3.8961 8.6351 119.7170 59.1825 29.8250 178.1423 107 E 3.9128 8.2514 119.3406 59.5114 29.7239 178.6181 108 Q 3.9498 8.4570 118.2065 59.0870 28.8214 178.3813 109 N 4.2262 8.2178 117.8130 56.7958 38.9400 176.5772 110 K 3.8942 8.4868 121.1513 59.4837 32.1875 178.4355 111 S 4.0448 8.4853 113.6343 61.4338 62.2805 175.9763 112 K 3.8323 8.4830 121.3745 59.5766 31.8888 178.7773 113 K 3.8209 8.1605 119.4166 59.6429 32.0581 178.2414 114 K 3.8316 8.5425 119.8132 59.8614 31.8826 178.3287 115 A 3.9726 8.1675 120.7683 55.4353 18.2359 178.9989 116 Q 3.9317 8.3035 118.6600 58.9909 29.1336 177.9750 117 Q 3.9665 8.8712 118.5892 59.7074 28.3884 178.8926 118 A 3.9152 8.2988 122.1492 54.9234 17.9435 178.9030 119 A 3.8695 8.3939 118.5319 55.6590 18.2203 179.1818 120 A 3.9026 8.1852 117.8984 55.5951 18.5139 178.7482 121 D 4.5358 8.1273 115.4468 56.9420 42.7441 177.9783 122 T 4.5782 7.9959 114.9344 59.7388 68.3055 174.2867 123 G 3.9487 6.9959 108.3895 47.7298 0.0000 169.2690 124 N 4.3263 8.3929 116.7946 53.6522 42.0838 172.4519 125 N 4.7930 8.2842 117.0036 53.4330 41.7314 172.6176 126 S 4.4823 7.7054 114.3518 58.0750 65.1856 173.2199 127 Q 4.4670 7.9207 120.6062 56.0958 31.2687 172.5843 128 V 4.2543 7.5917 116.7522 61.2867 33.2565 172.0480 129 S 4.4306 7.8668 111.8260 57.8294 64.8128 175.1474 130 Q 4.4878 8.1064 127.0272 56.1076 31.3084 171.9866 131 N 4.2805 8.2908 115.0692 53.3483 41.5937 173.5064 132 Y 4.4053 8.9104 125.3019 57.7784 38.9133 174.9457 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 2 G 8.35 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 3 A 8.34 3.84 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 4 R 7.97 4.46 0.00 2.05 2.07 0.00 3.11 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 5 A 7.56 3.81 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 6 S 8.23 4.57 0.00 3.80 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 7 V 7.70 3.68 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 0.73 0.00 0.00 0.84 0.00 0.00 8 L 7.17 4.73 0.00 1.44 1.45 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.92 5.25 0.00 3.95 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 10 G 8.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.03 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 0.00 0.00 0.00 12 E 8.20 4.05 0.00 2.32 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 2.41 2.49 0.00 13 L 8.38 4.23 0.00 1.95 1.80 0.95 0.66 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 14 D 8.14 4.37 0.00 2.92 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 15 K 8.39 4.12 0.00 2.03 1.83 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 16 W 8.69 4.27 0.00 3.46 3.36 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 17 E 8.32 4.98 0.00 2.35 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 0.00 2.57 2.23 0.00 18 K 7.71 4.39 0.00 1.69 1.81 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.48 7.81 19 I 6.81 4.16 0.62 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.08 0.41 0.00 0.00 20 R 8.76 4.76 0.00 1.81 2.00 0.00 3.28 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 21 L 8.65 4.32 0.00 1.54 1.74 0.82 1.15 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 22 R 7.76 4.77 0.00 1.74 1.83 0.00 3.20 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 23 P 0.00 4.36 0.00 2.17 2.17 0.00 3.74 0.00 0.00 3.67 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 24 G 8.04 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 25 G 7.47 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 0.00 0.00 0.00 26 K 8.20 4.65 0.00 1.65 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.42 7.81 27 K 7.87 4.92 0.00 1.72 1.67 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.38 7.81 28 Q 8.25 5.15 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.04 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 29 Y 8.95 3.98 0.00 2.36 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 0.00 0.00 0.00 30 K 8.10 4.70 0.00 1.65 1.61 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.34 7.81 31 L 8.43 4.08 0.00 1.79 1.73 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.11 4.02 0.00 1.89 1.91 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.51 7.81 33 H 8.28 4.50 0.00 3.46 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.28 3.87 2.03 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.95 0.75 0.00 0.00 35 V 8.54 3.69 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.00 0.00 0.00 36 W 8.48 4.17 0.00 3.44 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 37 A 8.58 3.40 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 3.97 0.00 4.02 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 39 R 8.19 3.83 0.00 2.06 1.91 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 40 E 7.84 3.61 0.00 1.39 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 1.79 1.71 0.00 41 L 8.04 3.86 0.00 1.85 1.65 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.45 4.29 0.00 2.12 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 2.32 2.20 0.00 43 R 7.93 4.08 0.00 1.98 2.07 0.00 3.21 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 44 F 8.22 4.59 0.00 3.09 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 45 A 7.92 3.73 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 46 V 8.11 4.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.08 0.00 0.00 47 N 8.62 4.55 0.00 2.70 2.69 0.00 0.00 7.09 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 48 P 0.00 4.47 0.00 2.26 2.24 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 49 G 8.01 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 50 L 7.82 4.18 0.00 1.92 1.92 0.93 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.57 4.41 0.00 1.64 1.87 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.14 4.04 0.00 2.31 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 0.00 2.29 2.23 0.00 53 T 7.27 4.06 4.20 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 1.17 0.00 0.00 54 S 8.62 4.19 0.00 3.81 3.67 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 55 E 8.18 4.14 0.00 2.03 2.02 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 2.44 2.42 0.00 56 G 8.16 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 57 C 8.40 4.17 0.00 3.31 3.22 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 58 R 8.42 3.70 0.00 2.31 2.12 0.00 3.22 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.00 59 Q 8.58 3.98 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 60 I 7.89 3.71 2.01 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 1.44 0.70 0.95 0.00 0.00 61 L 8.06 3.94 0.00 1.70 1.62 -0.30 0.54 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 62 G 8.06 3.65 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 0.00 0.00 0.00 63 Q 8.15 4.16 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 64 L 8.41 4.45 0.00 2.05 1.87 1.09 1.07 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 65 Q 8.20 3.97 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 66 P 0.00 4.29 0.00 2.30 2.28 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 67 S 8.06 4.16 0.00 4.06 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 68 L 8.20 3.94 0.00 1.69 1.48 -0.28 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.69 3.90 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.43 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 70 T 7.46 4.62 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 1.20 0.00 0.00 71 G 8.22 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 0.00 0.00 0.00 0.00 72 S 8.18 4.64 0.00 4.11 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 73 E 8.62 4.02 0.00 2.06 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 2.42 2.43 0.00 74 E 8.18 4.18 0.00 2.19 2.29 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 2.60 2.57 0.00 75 L 8.14 3.95 0.00 1.87 2.00 1.23 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.55 3.95 0.00 2.14 2.01 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 77 S 8.38 4.28 0.00 4.35 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 78 L 8.37 3.89 0.00 1.83 1.50 -0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.28 4.05 0.00 3.09 3.20 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 80 N 8.78 4.46 0.00 3.14 3.03 0.00 0.00 7.20 6.69 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 81 T 8.15 4.84 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 1.38 0.00 0.00 82 I 8.31 3.81 1.92 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 1.44 0.85 0.92 0.00 0.00 83 A 7.99 3.87 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 84 V 8.13 3.56 2.44 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 0.53 0.00 0.00 0.78 0.00 0.00 85 L 8.57 4.21 0.00 2.17 1.96 0.24 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.47 4.04 0.00 3.03 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 87 C 8.47 4.11 0.00 3.26 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 88 V 8.07 3.29 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 1.08 0.00 0.00 1.16 0.00 0.00 89 H 8.00 4.29 0.00 3.20 3.21 0.00 5.70 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 90 Q 7.72 4.00 0.00 1.62 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.38 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 91 R 7.51 3.68 0.00 1.98 1.99 0.00 3.26 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 92 I 8.33 4.49 1.93 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 1.43 1.05 0.93 0.00 0.00 93 D 8.48 4.56 0.00 2.76 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 94 V 7.76 4.55 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 0.66 0.00 0.00 0.89 0.00 0.00 95 K 8.52 4.40 0.00 1.75 1.71 0.00 1.46 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 96 D 7.52 5.27 0.00 2.79 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 97 T 8.69 3.78 4.52 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 1.32 0.00 0.00 98 K 7.95 3.96 0.00 1.92 1.79 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.57 7.81 99 E 8.54 3.87 0.00 2.24 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 2.29 2.37 0.00 100 A 8.15 4.06 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 0.00 101 L 8.06 4.03 0.00 2.03 1.81 1.27 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.67 4.46 0.00 2.86 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 0.00 103 K 8.43 3.92 0.00 1.94 1.95 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.65 7.81 104 I 8.22 3.78 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.80 0.00 0.00 105 E 8.57 4.01 0.00 2.16 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 0.00 2.33 2.35 0.00 106 E 8.64 3.90 0.00 2.28 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 2.32 2.33 0.00 107 E 8.25 3.91 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 108 Q 8.46 3.95 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.26 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 109 N 8.22 4.23 0.00 2.83 3.05 0.00 0.00 6.94 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.49 3.89 0.00 1.83 1.98 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 111 S 8.49 4.04 0.00 4.09 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 0.00 112 K 8.48 3.83 0.00 1.91 1.87 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 K 8.16 3.82 0.00 1.92 1.97 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 114 K 8.54 3.83 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 115 A 8.17 3.97 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 0.00 116 Q 8.30 3.93 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 117 Q 8.87 3.97 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 118 A 8.30 3.92 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 0.00 119 A 8.39 3.87 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 0.00 120 A 8.19 3.90 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 0.00 121 D 8.13 4.54 0.00 2.68 3.06 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 0.00 122 T 8.00 4.58 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 1.21 0.00 0.00 123 G 7.00 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 0.00 124 N 8.39 4.33 0.00 2.66 2.69 0.00 0.00 6.48 8.00 0.00 0.00 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 N 8.28 4.79 0.00 2.62 2.65 0.00 0.00 6.81 7.64 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 0.00 126 S 7.71 4.48 0.00 3.96 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 0.00 127 Q 7.92 4.47 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 128 V 7.59 4.25 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 0.75 0.00 0.00 0.93 0.00 0.00 129 S 7.87 4.43 0.00 3.79 3.72 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 0.00 130 Q 8.11 4.49 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 131 N 8.29 4.28 0.00 2.67 2.66 0.00 0.00 6.87 7.57 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 0.00 132 Y 8.91 4.41 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00