NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7504 8.4449 117.8300 56.2542 29.9819 172.8678 1D H 4.6811 8.6542 118.2104 55.5562 29.6187 172.5902 1E H 5.0762 7.5477 115.7845 53.7084 33.5892 172.1500 1F H 4.6871 8.8444 116.9574 55.8344 29.1043 174.4416 1G F 4.8481 8.3585 119.3821 57.8749 39.8447 173.9463 2 N 4.6089 8.5842 117.1042 52.4765 39.0830 174.5419 3 L 4.8057 8.0858 123.0580 52.0094 44.2488 174.5385 4 P 4.5119 0.0000 0.0000 61.5003 32.3270 174.0394 5 P 4.4078 0.0000 0.0000 62.1059 32.4639 175.9273 6 G 3.9480 9.3582 104.7811 45.3356 0.0000 172.2557 7 N 4.2630 7.7558 114.3458 51.9604 39.9012 174.0535 8 Y 4.8887 8.0064 115.8333 58.1508 38.5731 176.6416 9 K 4.0565 8.5360 121.9440 58.9160 32.2277 177.0226 10 K 4.7370 7.6077 114.6458 53.2363 35.5791 173.7378 11 P 4.8471 0.0000 0.0000 63.1868 32.4010 175.0106 12 K 4.7991 9.3029 119.2522 56.0120 36.9027 174.3360 13 L 5.0903 9.0321 120.5208 53.3000 44.1500 176.2691 14 L 5.0218 8.6168 123.1305 53.6173 43.0943 174.5421 15 Y 4.7891 9.2379 127.1290 56.6393 40.5020 173.7639 16 C 3.8739 8.6586 128.7097 57.8869 32.0157 174.2902 17 S 3.8116 8.0428 122.4179 60.9454 62.5799 175.4378 18 N 4.1306 8.0386 119.0487 56.1158 38.6998 175.4003 19 G 3.8434 7.6162 103.1051 44.6615 0.0000 173.2442 20 G 3.3608 7.6772 107.3301 43.9202 0.0000 173.2363 21 H 4.7334 7.2795 115.6149 54.0862 31.2615 174.1035 22 F 5.1915 8.9170 120.6818 56.1157 40.4060 175.2723 23 L 4.5672 9.0627 126.0515 55.3560 43.2882 175.6511 24 R 4.9607 9.2863 125.7118 54.6483 33.8405 173.6889 25 I 4.7826 8.2345 126.6348 59.3942 39.1054 175.3035 26 D 4.4082 9.3739 127.6840 53.0134 41.8139 175.3624 27 P 4.1988 0.0000 0.0000 65.4856 31.3670 177.2172 28 N 4.5179 8.6293 113.6464 53.2078 37.6721 175.9736 29 G 4.0762 8.4877 109.3744 45.2812 0.0000 173.9149 30 T 4.2859 8.5780 118.0916 63.3699 69.0470 173.4886 31 V 4.8419 7.9142 125.1217 61.3182 34.0347 174.5614 32 D 4.5678 8.4813 124.3771 53.1242 42.9588 174.1841 33 G 4.5645 8.6839 104.7829 45.2954 0.0000 172.4379 34 T 4.9918 8.9408 115.5222 60.3741 71.0776 174.6210 35 R 4.3482 8.8554 124.0088 56.5256 31.0026 176.4769 36 D 4.6431 8.3587 119.3951 53.2657 40.0241 176.8383 37 R 3.6663 8.5674 126.5921 58.1801 30.2173 178.1631 38 S 4.3445 8.3725 111.6314 58.7214 63.7404 174.2358 39 D 4.3463 7.6821 121.4291 55.2147 41.1891 175.8457 40 Q 4.4534 8.5212 123.3842 56.4838 29.1890 175.6597 41 H 4.9448 9.1120 116.0065 55.4903 29.2913 175.1433 42 I 4.6035 7.1260 110.6848 59.9223 38.8007 175.4219 43 Q 4.2148 7.8957 121.8651 55.8595 29.6602 174.7974 44 L 5.2288 9.1291 124.8287 52.8010 45.4977 175.4427 45 Q 4.8211 9.2162 124.5729 54.5672 30.5720 174.6248 46 L 5.4783 8.8087 126.5330 53.5353 43.5081 176.2430 47 S 4.5065 8.0406 113.9240 57.0068 66.4089 172.9823 48 A 5.1345 8.3190 122.9378 51.4727 20.2508 177.1301 49 E 4.2312 8.8158 119.2847 56.5001 29.8550 179.2151 50 S 4.5290 6.2233 115.8948 57.0179 64.4605 173.3654 51 V 3.8944 8.1904 121.4918 64.7276 31.5992 176.2440 52 G 3.9270 9.1667 114.4307 45.3929 0.0000 171.9127 53 E 5.1945 8.1757 119.6955 54.6683 32.1618 175.5919 54 V 4.8487 9.0183 116.0287 59.9716 36.7208 173.9667 55 Y 5.2477 8.7247 119.9955 56.5643 41.1389 175.2055 56 I 4.4483 8.5968 122.1844 59.6244 40.4977 174.0656 57 K 4.6147 8.7705 129.3426 54.0162 34.9624 175.1005 58 S 4.4630 8.9694 123.2768 58.5157 62.6222 174.9348 59 T 3.8306 8.5684 118.6073 64.5715 68.7393 175.8646 60 E 4.0714 8.3432 122.5930 58.2225 29.8737 176.9355 61 T 4.3725 7.8863 105.9749 60.5511 70.1830 175.2492 62 G 3.8402 8.2551 110.2932 45.3805 0.0000 173.8835 63 Q 4.4388 7.5030 119.1048 56.0720 30.2954 174.6048 64 Y 4.8042 8.7821 119.6708 55.9907 40.6654 175.1626 65 L 4.5079 9.0329 125.9824 55.3603 43.4093 175.6050 66 A 5.0742 8.7411 126.0250 50.6732 23.2625 174.3292 67 M 5.3562 8.7365 119.1259 53.9734 34.9664 175.6040 68 D 5.2865 9.5276 126.0682 51.7698 41.5045 176.8020 69 T 4.2406 8.4872 107.8841 63.8024 68.9037 174.5895 70 D 4.6184 8.3944 120.9131 54.1608 41.4993 176.9612 71 G 3.1431 8.5330 108.4709 45.2024 0.0000 172.7652 72 L 4.8076 8.0070 119.6320 52.5866 43.2910 176.0934 73 L 4.9916 8.3523 123.0273 55.3053 42.6529 175.6131 74 Y 4.9541 8.9974 119.6470 56.1438 42.0020 173.3517 75 G 4.3089 9.0536 108.5472 45.1637 0.0000 173.2141 76 S 5.1061 8.9990 120.5426 56.6784 64.0964 175.3023 77 Q 4.1563 9.0438 125.1005 58.2108 28.9242 176.3833 78 T 4.6248 7.5986 106.3150 58.9174 71.7163 172.1740 79 P 3.9778 0.0000 0.0000 61.3424 30.8848 174.0007 80 N 5.1812 7.9406 123.3579 50.9036 40.3296 174.4873 81 E 3.8764 8.7383 114.1805 59.7137 29.2888 178.1036 82 E 4.1318 8.9035 118.2638 57.6299 29.7306 177.3116 83 C 5.0131 7.8892 115.1693 58.5728 29.3096 173.3846 84 L 4.3190 7.0287 120.9157 53.5755 42.9091 175.8222 85 F 5.1021 8.7892 121.3204 55.5478 43.5635 174.3783 86 L 4.8601 9.1931 122.8695 53.8764 42.5008 175.4073 87 E 4.5646 8.8120 126.6654 55.2442 30.3945 175.7742 88 R 4.7977 8.5854 125.1532 54.0149 34.8849 174.5037 89 L 4.6773 8.7388 124.5028 55.2855 43.0620 175.8620 90 E 4.7049 9.1338 125.4612 55.1482 33.5914 174.9223 91 E 4.0035 9.7881 123.2841 57.5716 27.3040 174.2676 92 N 4.3085 8.4850 110.8781 54.1816 36.4193 173.8228 93 H 4.7491 8.3568 118.1658 57.3899 37.8315 173.6011 94 Y 4.6690 7.7102 116.2060 57.4706 40.0116 173.6904 95 N 5.5706 9.7936 118.5378 52.0047 41.1754 174.6120 96 T 5.2733 8.8699 112.5823 60.1833 72.9164 172.7086 97 Y 4.9915 8.5735 118.7293 56.6455 41.6210 174.1913 98 I 4.5755 8.5475 126.0327 59.1668 39.5506 175.5374 99 S 3.9868 8.7966 122.0402 58.6563 62.4494 174.0276 100 K 3.9625 8.7376 129.2748 59.3834 32.2601 178.6805 101 K 3.7734 7.9016 118.1497 59.0631 32.2397 176.6765 102 H 4.7834 8.1968 114.3582 54.2524 29.4592 176.3279 103 A 3.9524 7.7981 125.8683 55.2458 18.2376 180.6403 104 E 4.0035 8.0427 112.7031 58.2723 29.8397 178.0935 105 K 4.1483 7.6543 117.8077 55.6092 32.8265 175.7896 106 N 3.9406 7.5692 115.9339 53.9083 36.6688 174.5657 107 W 5.0723 7.6755 117.2051 55.8056 31.0532 177.2010 108 F 5.4547 9.2394 123.9777 55.3762 41.1851 175.7115 109 V 3.8920 9.0138 122.2499 63.2226 32.4704 175.2314 110 G 4.4107 8.5202 112.4923 45.4310 0.0000 171.5831 111 L 5.3203 8.4267 120.7497 52.4583 45.4251 177.1858 112 K 4.1781 8.9924 123.1607 55.5227 32.8837 178.3619 113 K 3.8539 8.4439 119.7776 59.4924 31.9388 177.9692 114 N 4.5469 8.0252 113.5664 52.9017 37.7302 175.8291 115 G 3.5610 8.2752 109.7325 45.2659 0.0000 174.1785 116 S 4.5804 8.2956 114.8669 57.8130 63.9978 173.2431 117 C 4.7750 8.2424 119.3696 59.7279 28.5851 173.8352 118 K 4.2994 8.7797 122.7200 56.2697 32.8988 176.7433 119 R 4.2973 8.3468 121.3129 54.9680 31.7241 177.6047 120 G 3.2971 8.8098 113.2009 48.2987 0.0000 174.0797 121 P 4.4299 0.0000 0.0000 64.2732 31.4333 177.2065 122 R 4.5128 7.8457 116.5042 55.8132 30.1943 175.8908 123 T 5.1097 7.5016 108.0147 59.7310 71.0551 173.2032 124 H 4.8378 7.9908 115.5907 54.7975 30.7668 172.8391 125 Y 3.9654 8.7195 118.3728 60.0915 38.0727 177.3157 126 G 4.0350 9.0419 111.5820 45.3758 0.0000 173.8457 127 Q 4.2366 7.3978 118.9147 55.2222 29.8476 177.0154 128 K 3.8620 8.2557 118.5147 58.4884 32.8992 179.4250 129 A 3.9877 8.0296 121.1370 53.8682 18.3355 178.4213 130 I 4.4093 7.1812 106.0380 60.3468 38.5024 175.2744 131 L 4.3875 7.3220 123.2196 53.9373 42.5101 175.7615 132 F 5.3895 9.4744 122.9555 55.4880 43.1851 174.2187 133 L 5.2375 9.2715 122.7881 52.7383 45.1773 173.5304 134 P 5.1266 0.0000 0.0000 62.6780 32.0972 175.4553 135 L 5.0177 9.1733 125.3564 51.7461 44.8055 174.5687 136 P 4.6786 0.0000 0.0000 62.8176 32.4021 176.7664 137 V 3.7751 8.1576 113.1097 61.8118 31.6304 176.3087 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 1C H 8.44 4.75 0.00 3.11 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.65 4.68 0.00 3.15 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.55 5.08 0.00 3.14 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.84 4.69 0.00 3.33 3.41 0.00 5.66 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 1G F 8.36 4.85 0.00 2.92 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 2 N 8.58 4.61 0.00 2.96 2.78 0.00 0.00 6.85 6.74 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 3 L 8.09 4.81 0.00 1.46 1.40 0.60 0.25 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 4 P 0.00 4.51 0.00 2.16 2.15 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 5 P 0.00 4.41 0.00 2.17 2.07 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 6 G 9.36 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 7 N 7.76 4.26 0.00 2.57 2.61 0.00 0.00 5.92 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 8 Y 8.01 4.89 0.00 3.06 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 9 K 8.54 4.06 0.00 1.82 1.92 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.58 7.81 10 K 7.61 4.74 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.85 0.00 2.06 2.05 0.00 3.77 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 1.99 1.96 0.00 12 K 9.30 4.80 0.00 1.94 1.96 0.00 1.38 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.65 7.81 13 L 9.03 5.09 0.00 1.77 1.80 0.41 0.51 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 14 L 8.62 5.02 0.00 1.55 1.55 0.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.24 4.79 0.00 3.28 3.17 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 16 C 8.66 3.87 0.00 2.42 2.45 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 17 S 8.04 3.81 0.00 3.86 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.04 4.13 0.00 2.51 2.62 0.00 0.00 6.76 7.98 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 19 G 7.62 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 20 G 7.68 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 0.00 0.00 0.00 21 H 7.28 4.73 0.00 3.01 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.92 5.19 0.00 3.05 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 23 L 9.06 4.57 0.00 1.85 1.54 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.29 4.96 0.00 1.93 2.04 0.00 3.14 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 25 I 8.23 4.78 1.84 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 1.07 0.75 0.89 0.00 0.00 26 D 9.37 4.41 0.00 2.68 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 27 P 0.00 4.20 0.00 2.03 2.09 0.00 3.56 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 28 N 8.63 4.52 0.00 2.80 2.92 0.00 0.00 7.27 7.23 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 29 G 8.49 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 30 T 8.58 4.29 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 V 7.91 4.84 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 0.83 0.00 0.00 0.91 0.00 0.00 32 D 8.48 4.57 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.68 4.56 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 0.00 0.00 0.00 34 T 8.94 4.99 4.33 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 1.37 0.00 0.00 35 R 8.86 4.35 0.00 1.89 2.01 0.00 3.22 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 36 D 8.36 4.64 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.57 3.67 0.00 1.81 1.85 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.60 0.00 38 S 8.37 4.34 0.00 3.93 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 39 D 7.68 4.35 0.00 2.79 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 40 Q 8.52 4.45 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.20 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 41 H 9.11 4.94 0.00 3.29 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.13 4.60 1.92 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 1.06 0.00 0.00 43 Q 7.90 4.21 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 44 L 9.13 5.23 0.00 1.48 1.44 0.82 0.51 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 45 Q 9.22 4.82 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 46 L 8.81 5.48 0.00 1.71 1.40 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.04 4.51 0.00 3.88 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 48 A 8.32 5.13 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 49 E 8.82 4.23 0.00 1.69 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 2.12 2.40 0.00 50 S 6.22 4.53 0.00 4.11 3.83 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 51 V 8.19 3.89 2.33 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 0.96 0.00 0.00 1.04 0.00 0.00 52 G 9.17 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 0.00 0.00 0.00 53 E 8.18 5.19 0.00 2.08 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 2.21 2.29 0.00 54 V 9.02 4.85 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 0.69 0.00 0.00 1.17 0.00 0.00 55 Y 8.72 5.25 0.00 3.02 3.09 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 0.00 0.00 0.00 56 I 8.60 4.45 1.77 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.62 0.68 0.00 0.00 57 K 8.77 4.61 0.00 1.34 1.50 0.00 1.23 0.00 0.00 1.21 0.00 0.00 2.66 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.93 0.34 7.81 58 S 8.97 4.46 0.00 3.83 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 59 T 8.57 3.83 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 60 E 8.34 4.07 0.00 1.96 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 2.22 2.37 0.00 61 T 7.89 4.37 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 1.24 0.00 0.00 62 G 8.26 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 63 Q 7.50 4.44 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 64 Y 8.78 4.80 0.00 2.95 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 65 L 9.03 4.51 0.00 1.62 1.49 0.81 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.74 5.07 0.54 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 0.00 0.00 67 M 8.74 5.36 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 68 D 9.53 5.29 0.00 2.98 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 69 T 8.49 4.24 4.37 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 1.34 0.00 0.00 70 D 8.39 4.62 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 71 G 8.53 3.14 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 72 L 8.01 4.81 0.00 2.07 1.60 0.83 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.35 4.99 0.00 1.57 1.62 0.90 0.86 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 74 Y 9.00 4.95 0.00 2.99 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 75 G 9.05 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.00 5.11 0.00 3.66 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 77 Q 9.04 4.16 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.60 4.62 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 79 P 0.00 3.98 0.00 0.73 0.49 0.00 3.47 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.00 80 N 7.94 5.18 0.00 2.91 2.93 0.00 0.00 5.91 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 81 E 8.74 3.88 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 82 E 8.90 4.13 0.00 2.21 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 0.00 2.39 2.46 0.00 83 C 7.89 5.01 0.00 3.21 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 84 L 7.03 4.32 0.00 1.45 1.27 0.77 -0.10 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 85 F 8.79 5.10 0.00 3.13 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 86 L 9.19 4.86 0.00 1.51 1.60 0.88 0.94 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 87 E 8.81 4.56 0.00 2.15 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 2.20 1.93 0.00 88 R 8.59 4.80 0.00 1.75 1.78 0.00 3.13 0.00 0.00 2.87 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 89 L 8.74 4.68 0.00 1.65 1.61 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.13 4.70 0.00 2.21 1.86 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 2.31 2.43 0.00 91 E 9.79 4.00 0.00 2.37 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 2.29 2.40 0.00 92 N 8.49 4.31 0.00 2.85 2.90 0.00 0.00 6.88 8.16 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 93 H 8.36 4.75 0.00 2.86 3.08 0.00 5.94 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 94 Y 7.71 4.67 0.00 3.02 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.79 5.57 0.00 2.97 2.47 0.00 0.00 6.95 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.87 5.27 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 1.37 0.00 0.00 97 Y 8.57 4.99 0.00 2.74 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 98 I 8.55 4.58 1.64 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.30 0.64 0.00 0.00 99 S 8.80 3.99 0.00 4.10 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 0.00 100 K 8.74 3.96 0.00 1.67 1.64 0.00 1.67 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 101 K 7.90 3.77 0.00 1.74 1.64 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.96 1.30 7.81 102 H 8.20 4.78 0.00 3.18 2.41 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.80 3.95 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 0.00 104 E 8.04 4.00 0.00 1.90 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 2.19 2.14 0.00 105 K 7.65 4.15 0.00 0.79 1.05 0.00 0.61 0.00 0.00 0.63 0.00 0.00 2.55 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.01 0.86 7.81 106 N 7.57 3.94 0.00 3.00 3.03 0.00 0.00 6.90 7.38 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 0.00 107 W 7.68 5.07 0.00 3.32 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 0.00 108 F 9.24 5.45 0.00 2.84 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.01 3.89 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 0.64 0.00 0.00 0.44 0.00 0.00 110 G 8.52 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 0.00 111 L 8.43 5.32 0.00 1.44 1.42 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.99 4.18 0.00 1.89 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.46 7.81 113 K 8.44 3.85 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 114 N 8.03 4.55 0.00 2.80 2.89 0.00 0.00 6.23 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.28 3.56 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 0.00 0.00 0.00 116 S 8.30 4.58 0.00 3.96 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 0.00 117 C 8.24 4.78 0.00 2.87 2.90 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 0.00 118 K 8.78 4.30 0.00 1.71 1.69 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.37 7.81 119 R 8.35 4.30 0.00 1.63 1.60 0.00 3.04 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 120 G 8.81 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 0.00 0.00 0.00 121 P 0.00 4.43 0.00 1.96 2.20 0.00 3.09 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 122 R 7.85 4.51 0.00 1.83 1.91 0.00 3.28 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 123 T 7.50 5.11 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 1.39 0.00 0.00 124 H 7.99 4.84 0.00 3.45 3.52 0.00 5.67 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 0.00 125 Y 8.72 3.97 0.00 3.17 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 0.00 126 G 9.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.40 4.24 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 128 K 8.26 3.86 0.00 1.62 1.63 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.27 7.81 129 A 8.03 3.99 1.19 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 0.00 130 I 7.18 4.41 1.64 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.56 0.00 0.00 131 L 7.32 4.39 0.00 0.96 0.58 0.51 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.47 5.39 0.00 3.39 3.14 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 0.00 133 L 9.27 5.24 0.00 2.09 1.77 0.78 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.13 0.00 2.22 2.22 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 135 L 9.17 5.02 0.00 1.67 1.63 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.68 0.00 2.06 2.06 0.00 3.77 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 1.98 2.00 0.00 137 V 8.16 3.78 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.91 0.00 0.00