NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3124 8.1844 122.4913 55.2809 42.0655 176.2148 2 S 4.6429 8.3732 124.7594 57.5311 63.1780 168.0329 3 V 4.5457 8.1869 114.8767 59.8021 35.7552 174.8338 4 N 4.6969 8.5225 117.6712 53.3473 39.3846 175.5705 5 V 3.6445 8.3970 119.3255 64.8836 31.8352 176.7298 6 N 4.6843 8.3079 114.6274 54.1735 36.1440 176.4957 7 R 3.9671 7.6370 119.1825 58.6815 30.2066 177.9309 8 S 4.6769 7.9007 109.5356 58.2432 63.8164 174.0155 9 V 4.6793 6.6591 113.5399 60.7654 35.6228 172.7965 10 M 4.5439 8.3341 127.1986 56.1667 32.2766 175.5325 11 D 4.5831 8.2093 117.7600 53.7763 41.9397 175.8079 12 Q 4.1794 8.8342 124.6128 57.1919 29.4704 175.3694 13 F 3.5547 8.1384 116.3443 57.9940 35.9722 173.6927 14 Y 4.8050 6.9462 118.1557 56.9846 40.2903 176.2215 15 R 4.2635 6.2629 124.2163 56.1108 33.3370 173.2125 16 Y 4.3825 6.5238 118.2953 55.5465 40.1222 174.4227 17 K 4.1133 7.3077 124.7066 54.5374 35.8620 175.9131 18 M 4.3244 7.7920 119.8908 52.8653 32.7606 173.3241 19 P 4.5262 0.0000 0.0000 62.0068 29.5838 176.6971 20 R 4.1605 7.7598 122.7564 56.0123 30.7634 176.6599 21 L 4.2087 8.2798 121.4513 54.7062 42.6390 175.7808 22 I 4.5952 8.3582 126.3245 59.4694 39.6337 174.2147 23 A 5.0117 8.6697 128.0893 49.9888 21.6311 175.4265 24 K 4.6163 8.7524 120.3758 54.5195 35.8955 175.3884 25 V 4.5624 8.4013 124.0259 61.7873 32.8403 174.5612 26 E 4.6845 9.0796 126.0445 53.8823 33.7414 176.3260 27 G 4.2309 8.1077 109.6118 44.6781 0.0000 171.7998 28 K 4.6948 7.0972 118.1705 55.5175 37.7494 179.0208 29 G 4.0812 8.1971 110.0817 46.8713 0.0000 175.0450 30 N 4.5220 8.8342 123.2673 53.1663 38.7703 174.0877 31 G 3.8745 7.3112 105.6373 44.8123 0.0000 174.1760 32 I 5.0292 6.7187 128.6544 60.9898 42.2085 172.8686 33 K 4.7400 8.0237 126.6339 55.2043 36.2426 175.1871 34 T 5.0073 9.0718 119.0725 62.2566 70.6113 174.0255 35 V 4.8618 9.1929 126.6595 59.9893 33.8527 174.7871 36 I 4.5205 7.9260 127.3261 60.1048 37.3290 176.3786 37 V 3.9754 7.8769 121.2928 61.7537 31.9686 176.9729 38 N 4.8863 7.7410 116.9434 53.1994 39.6687 175.2514 39 M 4.0375 7.8866 119.2540 59.5783 32.4118 178.0119 40 V 3.6651 7.7098 117.9199 65.9300 31.7264 177.5475 41 D 4.4034 7.9927 118.1431 57.5633 40.6952 179.1089 42 V 3.5894 8.0781 112.8346 64.2966 31.4772 178.6295 43 A 3.9973 8.2874 120.7918 55.1069 18.0556 179.6733 44 K 4.4707 8.8905 119.0006 59.1637 32.3466 178.7050 45 A 4.1677 8.2884 120.7168 53.7524 18.3787 178.3470 46 L 4.5979 7.3900 115.1563 56.2540 42.4283 177.1860 47 N 4.2009 8.6891 120.1883 54.7949 43.9284 173.4680 48 R 4.8788 8.4479 117.6028 53.2393 32.4349 173.6951 49 P 4.5067 0.0000 0.0000 62.1998 32.1525 176.3314 50 P 4.7116 0.0000 0.0000 63.0162 30.0312 178.3129 51 T 4.3851 7.6621 110.6334 65.0390 69.0152 174.9023 52 Y 4.0548 7.8392 122.6373 60.0213 39.2188 175.0442 53 P 4.3407 0.0000 0.0000 64.2596 31.4307 177.8238 54 T 4.1411 7.6277 115.2719 66.2361 68.2803 176.3746 55 K 4.0118 7.7520 121.9085 59.4865 32.0264 178.3388 56 Y 4.0195 7.7772 115.4537 61.2201 38.2917 178.1255 57 F 4.8648 6.9813 117.2993 60.8701 39.0755 177.9814 58 G 4.2783 8.0447 106.6169 47.6415 0.0000 175.0819 59 C 4.0745 8.0688 120.9303 62.2858 31.2218 175.4897 60 E 3.9841 7.9360 119.9444 59.0151 29.3857 178.0185 61 L 4.4314 7.7656 115.9963 55.4469 40.7459 177.3267 62 G 3.8351 7.6877 106.1022 46.2076 0.0000 173.4037 63 A 4.9568 7.7748 122.0013 50.4364 22.8501 179.0394 64 Q 4.8086 8.0075 116.6514 56.0166 30.5370 178.9750 65 T 4.8909 8.5535 118.4049 61.5990 72.1323 171.2504 66 Q 4.4365 8.8255 122.0180 54.5092 32.7277 173.3118 67 F 5.4198 8.7037 123.2082 55.7053 42.9728 173.8051 68 D 4.8934 9.3239 121.3988 53.1016 43.2279 176.6905 69 V 3.8992 8.6644 119.5096 63.9898 32.2603 178.3640 70 K 4.3339 8.0611 115.8520 57.7387 32.0698 176.8547 71 N 4.7393 7.8507 115.5903 52.5758 40.9006 175.2443 72 D 4.9844 8.6135 115.6681 54.6015 39.0043 173.1115 73 R 4.2534 7.4807 118.8262 54.4277 32.6123 174.4446 74 Y 5.3550 7.9829 120.7885 56.3774 41.0512 174.7103 75 I 4.8329 8.4760 123.9869 59.4096 41.4153 174.4711 76 V 4.5610 9.2747 125.8259 60.7998 33.6375 174.7039 77 N 4.4132 8.0209 125.2502 55.0632 39.2260 175.2687 78 G 4.0548 8.5698 108.3737 46.0566 0.0000 172.9628 79 S 4.5527 8.0977 116.0814 56.4811 64.6403 173.2750 80 H 4.9418 9.0006 121.4613 53.9045 32.9316 172.6100 81 E 4.4077 8.4572 121.5900 54.9269 31.0367 176.8591 82 A 4.0294 8.7083 124.9645 55.7412 18.1361 179.9114 83 N 4.3040 8.1825 114.1171 56.4027 38.4745 177.6669 84 K 4.0260 8.1349 120.0104 59.3638 32.1499 179.3403 85 L 3.9834 7.9043 118.8266 57.9335 41.5491 179.4800 86 Q 4.0078 7.9181 118.1642 58.6865 28.3729 178.1412 87 D 4.3183 7.5532 118.7146 57.4131 41.7166 178.0142 88 M 4.2077 7.8157 117.2733 58.5259 31.3701 178.3127 89 L 4.0788 7.9143 122.0110 57.5704 42.1184 178.3816 90 D 4.5083 8.7020 118.7849 57.2029 40.9048 178.4345 91 G 3.6148 7.7664 105.1528 47.5140 0.0000 175.2356 92 F 4.1100 8.0905 122.5899 61.4133 39.5236 177.4199 93 I 4.3968 8.0718 118.9796 64.4373 37.1197 178.2548 94 K 3.8565 8.4119 119.4747 59.3315 31.5508 179.2723 95 K 4.1459 7.9396 118.2442 58.4826 31.9687 178.0996 96 F 4.8089 8.1088 112.5987 57.9388 39.6154 177.5319 97 V 3.0700 5.4860 111.7948 63.4276 32.7085 177.7145 98 L 4.2191 6.7133 116.4600 54.2653 39.0995 176.5481 99 C 4.3092 7.3519 121.4774 58.3482 33.1882 171.8678 100 P 4.6311 0.0000 0.0000 61.3705 29.7243 175.6052 101 E 5.3931 7.1460 127.2029 57.5916 31.7782 175.8894 102 C 4.8371 7.6763 112.2989 57.7598 30.5621 174.4483 103 E 4.2186 8.1863 118.5573 56.0711 27.9376 174.5920 104 N 4.7792 7.1970 120.8583 53.8838 45.7800 174.0783 105 P 4.3833 0.0000 0.0000 62.1348 31.8246 175.4697 106 E 4.1521 8.6957 121.9608 56.6994 30.4335 175.8185 107 T 4.8459 8.4784 116.6288 60.2218 71.9441 172.8684 108 D 5.2854 9.3389 121.7298 52.3646 44.6308 175.3157 109 L 5.2884 8.4730 120.0444 54.2450 43.1000 175.2444 110 H 4.9175 8.8413 119.4366 53.6628 30.8993 172.8062 111 V 4.5759 8.4579 123.6215 61.4559 33.0933 174.4260 112 N 4.9695 8.8743 125.9139 51.2905 39.6143 174.7336 113 P 4.3282 0.0000 0.0000 65.4339 32.1124 177.9728 114 K 4.0592 8.1552 117.8318 58.8519 32.0049 177.5386 115 K 4.1827 8.0008 116.1918 55.4266 32.9387 175.1538 116 Q 3.4618 7.7232 118.0740 57.6911 27.9071 172.2580 117 T 4.7992 7.2644 105.3831 60.4392 72.6999 173.2576 118 I 4.5757 8.3570 122.7101 59.7995 39.6106 175.2892 119 G 3.5864 9.1201 114.3372 44.6625 0.0000 172.0081 120 N 5.6048 8.6564 119.1567 51.7854 42.2470 173.0515 121 S 5.3150 9.7536 120.9103 56.6776 65.7602 171.8269 122 C 4.8997 8.8645 126.3051 56.7220 34.0519 173.8285 123 K 4.1910 7.8444 122.9474 57.4665 32.6609 177.6664 124 A 4.5572 7.9796 121.0477 54.0291 21.3893 176.9431 125 C 4.6805 8.0547 110.4972 58.5329 33.3106 174.4445 126 G 3.9447 7.9853 106.2410 47.1052 0.0000 176.5038 127 Y 3.3145 7.7708 118.1536 59.4428 40.8930 177.0586 128 R 3.9515 7.6554 119.0308 56.9279 29.0299 175.1915 129 G 4.2940 9.9965 121.2554 46.0885 0.0000 172.8585 130 M 5.1198 9.3432 119.6373 53.0128 35.5200 174.0062 131 L 4.4490 9.3574 124.2680 54.7334 43.0825 174.0052 132 D 4.2254 9.2346 132.6785 54.1784 45.9979 176.6100 133 T 3.7748 8.7504 120.2878 63.0325 66.9178 171.4110 134 H 4.2032 7.5190 115.3704 56.0223 32.5935 172.8879 135 H 4.4332 8.8086 118.3024 56.2094 27.0535 174.4372 136 K 4.7601 7.8722 122.7835 53.2516 36.5645 176.8730 137 L 3.6751 8.8175 119.3522 59.4872 39.5285 178.8916 138 C 3.9119 8.0552 117.3441 63.2361 27.7865 175.9767 139 T 3.9163 8.1443 116.7330 66.4936 68.2856 176.4410 140 F 4.2776 8.3831 119.5632 60.6560 39.0177 177.6567 141 I 3.7094 7.8393 112.6613 63.8930 37.2465 177.7700 142 L 4.2225 8.0596 121.5539 57.1486 41.8872 178.3656 143 K 4.3233 7.5792 116.4959 57.7313 33.5925 177.0429 144 N 4.8493 8.0772 118.9022 50.5009 38.4014 170.9975 145 P 4.3832 0.0000 0.0000 61.4185 32.5047 176.2479 146 P 4.5490 0.0000 0.0000 62.0344 32.9052 174.2766 147 E 4.5476 8.4551 117.8981 54.9510 31.8102 174.5300 148 N 5.1257 8.4612 122.0034 52.5149 43.5072 172.7096 149 S 4.2462 8.0978 112.2273 58.4608 64.0189 173.6656 150 D 4.7484 8.3317 122.1851 53.4738 41.2181 175.9575 151 S 4.4331 7.8266 110.5446 58.9690 64.8279 175.3701 152 G 3.7571 8.8431 108.5911 46.1251 0.0000 175.0601 153 T 3.9279 7.7439 110.2576 63.6529 67.5114 171.0725 154 G 3.5627 8.2129 113.8621 43.9586 0.0000 170.4764 155 K 4.4282 7.8112 131.7097 57.2793 34.2221 174.5567 156 K 4.1104 8.2105 124.5429 56.4606 32.1588 176.0665 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 L 8.18 4.31 0.00 1.63 1.71 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.37 4.64 0.00 3.90 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 3 V 8.19 4.55 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 0.77 0.00 0.00 0.94 0.00 0.00 4 N 8.52 4.70 0.00 2.75 2.83 0.00 0.00 6.72 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 5 V 8.40 3.64 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 1.11 0.00 0.00 0.94 0.00 0.00 6 N 8.31 4.68 0.00 3.03 3.07 0.00 0.00 7.18 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 7 R 7.64 3.97 0.00 1.92 2.01 0.00 3.16 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 8 S 7.90 4.68 0.00 3.99 3.98 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 V 6.66 4.68 2.16 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 0.75 0.00 0.00 0.96 0.00 0.00 10 M 8.33 4.54 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 11 D 8.21 4.58 0.00 2.57 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 0.00 0.00 0.00 12 Q 8.83 4.18 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.37 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 13 F 8.14 3.55 0.00 3.38 3.11 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 14 Y 6.95 4.81 0.00 3.14 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 15 R 6.26 4.26 0.00 1.81 1.93 0.00 3.28 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 16 Y 6.52 4.38 0.00 2.95 2.50 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 17 K 7.31 4.11 0.00 1.41 1.34 0.00 1.65 0.00 0.00 1.38 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.95 1.15 7.81 18 M 7.79 4.32 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 19 P 0.00 4.53 0.00 2.18 2.03 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 20 R 7.76 4.16 0.00 1.93 1.97 0.00 3.09 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 21 L 8.28 4.21 0.00 1.60 1.61 0.92 0.95 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 22 I 8.36 4.60 1.88 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 1.29 0.80 0.92 0.00 0.00 23 A 8.67 5.01 1.30 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 24 K 8.75 4.62 0.00 1.91 1.67 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 25 V 8.40 4.56 2.07 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 0.72 0.00 0.00 0.91 0.00 0.00 26 E 9.08 4.68 0.00 1.92 1.79 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 2.20 2.21 0.00 27 G 8.11 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 0.00 0.00 0.00 0.00 28 K 7.10 4.69 0.00 1.81 1.67 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.46 7.81 29 G 8.20 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 N 8.83 4.52 0.00 2.69 2.83 0.00 0.00 6.97 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 31 G 7.31 3.87 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 0.00 0.00 0.00 32 I 6.72 5.03 1.86 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 1.27 0.97 0.90 0.00 0.00 33 K 8.02 4.74 0.00 1.71 1.94 0.00 1.28 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 34 T 9.07 5.01 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 35 V 9.19 4.86 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 36 I 7.93 4.52 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 1.06 0.00 0.00 37 V 7.88 3.98 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 0.61 0.00 0.00 0.93 0.00 0.00 38 N 7.74 4.89 0.00 2.79 2.80 0.00 0.00 6.94 7.59 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 39 M 7.89 4.04 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.76 0.00 40 V 7.71 3.67 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 0.99 0.00 0.00 0.91 0.00 0.00 41 D 7.99 4.40 0.00 2.76 2.76 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 42 V 8.08 3.59 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 1.16 0.00 0.00 1.03 0.00 0.00 43 A 8.29 4.00 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 44 K 8.89 4.47 0.00 1.86 1.85 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 45 A 8.29 4.17 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 46 L 7.39 4.60 0.00 1.70 1.73 0.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.69 4.20 0.00 2.68 2.54 0.00 0.00 6.96 5.12 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 48 R 8.45 4.88 0.00 1.82 1.84 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 49 P 0.00 4.51 0.00 2.26 2.21 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 50 P 0.00 4.71 0.00 2.53 2.43 0.00 3.84 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 51 T 7.66 4.39 3.69 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 0.00 0.00 0.01 0.00 0.00 52 Y 7.84 4.05 0.00 3.00 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 53 P 0.00 4.34 0.00 2.20 2.26 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.11 0.00 54 T 7.63 4.14 4.62 0.00 0.00 0.00 0.00 0.00 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 55 K 7.75 4.01 0.00 2.02 1.92 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.70 7.81 56 Y 7.78 4.02 0.00 2.70 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 57 F 6.98 4.86 0.00 3.23 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 58 G 8.04 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 0.00 0.00 0.00 0.00 59 C 8.07 4.07 0.00 3.15 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 60 E 7.94 3.98 0.00 2.09 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 2.35 2.36 0.00 61 L 7.77 4.43 0.00 1.93 1.68 1.01 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.69 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 A 7.77 4.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.01 4.81 0.00 2.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 65 T 8.55 4.89 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 1.26 0.00 0.00 66 Q 8.83 4.44 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 67 F 8.70 5.42 0.00 2.97 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 68 D 9.32 4.89 0.00 3.00 2.67 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 69 V 8.66 3.90 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 0.85 0.00 0.00 0.96 0.00 0.00 70 K 8.06 4.33 0.00 1.77 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.38 7.81 71 N 7.85 4.74 0.00 3.07 2.81 0.00 0.00 7.15 8.38 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 72 D 8.61 4.98 0.00 2.81 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 73 R 7.48 4.25 0.00 1.67 1.78 0.00 3.03 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 74 Y 7.98 5.35 0.00 3.06 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 75 I 8.48 4.83 1.83 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 1.13 1.04 0.94 0.00 0.00 76 V 9.27 4.56 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 0.86 0.00 0.00 0.98 0.00 0.00 77 N 8.02 4.41 0.00 2.52 2.79 0.00 0.00 7.24 7.51 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 78 G 8.57 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 79 S 8.10 4.55 0.00 3.90 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 80 H 9.00 4.94 0.00 3.04 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.46 4.41 0.00 2.00 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 2.45 2.31 0.00 82 A 8.71 4.03 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 83 N 8.18 4.30 0.00 2.83 2.89 0.00 0.00 7.13 7.21 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 84 K 8.13 4.03 0.00 2.16 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 85 L 7.90 3.98 0.00 1.80 1.66 0.93 0.92 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 86 Q 7.92 4.01 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 87 D 7.55 4.32 0.00 2.62 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 88 M 7.82 4.21 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.80 0.00 89 L 7.91 4.08 0.00 1.84 1.67 0.71 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.70 4.51 0.00 2.86 2.80 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 91 G 7.77 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.09 4.11 0.00 3.35 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 93 I 8.07 4.40 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.85 1.02 0.00 0.00 94 K 8.41 3.86 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.64 7.81 95 K 7.94 4.15 0.00 2.17 1.99 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.56 7.81 96 F 8.11 4.81 0.00 3.24 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 97 V 5.49 3.07 1.66 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 -0.33 0.00 0.00 0.62 0.00 0.00 98 L 6.71 4.22 0.00 1.77 1.57 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.35 4.31 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.63 0.00 2.27 2.14 0.00 4.00 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 2.11 2.02 0.00 101 E 7.15 5.39 0.00 2.17 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 2.18 2.16 0.00 102 C 7.68 4.84 0.00 2.96 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 0.00 103 E 8.19 4.22 0.00 2.07 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 2.22 2.22 0.00 104 N 7.20 4.78 0.00 2.67 2.71 0.00 0.00 7.22 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 0.00 105 P 0.00 4.38 0.00 2.16 2.03 0.00 3.80 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 1.95 1.93 0.00 106 E 8.70 4.15 0.00 2.11 1.87 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 2.38 2.37 0.00 107 T 8.48 4.85 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 1.13 0.00 0.00 108 D 9.34 5.29 0.00 2.59 2.63 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 0.00 109 L 8.47 5.29 0.00 1.61 1.70 0.91 0.74 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 0.00 110 H 8.84 4.92 0.00 3.29 3.50 0.00 5.44 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.46 4.58 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 0.79 0.00 0.00 0.91 0.00 0.00 112 N 8.87 4.97 0.00 2.71 2.74 0.00 0.00 6.44 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 0.00 113 P 0.00 4.33 0.00 2.17 2.18 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 114 K 8.16 4.06 0.00 1.77 1.92 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.37 7.81 115 K 8.00 4.18 0.00 1.69 1.82 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.47 7.81 116 Q 7.72 3.46 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.46 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 117 T 7.26 4.80 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 1.27 0.00 0.00 118 I 8.36 4.58 2.12 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.88 0.86 0.00 0.00 119 G 9.12 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 0.00 0.00 0.00 120 N 8.66 5.60 0.00 2.81 2.98 0.00 0.00 7.04 7.75 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 0.00 121 S 9.75 5.32 0.00 4.00 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 0.00 122 C 8.86 4.90 0.00 2.84 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 0.00 123 K 7.84 4.19 0.00 1.95 1.89 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.38 7.81 124 A 7.98 4.56 1.26 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 0.00 0.00 125 C 8.05 4.68 0.00 2.92 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 0.00 126 G 7.99 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 0.00 127 Y 7.77 3.31 0.00 3.07 3.11 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 0.00 128 R 7.66 3.95 0.00 2.05 2.23 0.00 3.13 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 129 G 10.00 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 0.00 0.00 0.00 0.00 130 M 9.34 5.12 0.00 1.92 1.98 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 2.50 2.64 0.00 131 L 9.36 4.45 0.00 1.84 1.56 0.90 1.17 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 0.00 132 D 9.23 4.23 0.00 2.63 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 0.00 133 T 8.75 3.77 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 1.28 0.00 0.00 134 H 7.52 4.20 0.00 3.08 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.81 4.43 0.00 3.25 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.87 4.76 0.00 1.95 1.77 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.42 7.81 137 L 8.82 3.68 0.00 1.73 2.11 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 138 C 8.06 3.91 0.00 2.99 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 0.00 139 T 8.14 3.92 4.35 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 1.27 0.00 0.00 140 F 8.38 4.28 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 0.00 141 I 7.84 3.71 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.89 0.00 0.00 142 L 8.06 4.22 0.00 1.65 1.89 0.96 0.75 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 0.00 143 K 7.58 4.32 0.00 1.80 1.86 0.00 1.42 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.45 7.81 144 N 8.08 4.85 0.00 2.76 2.75 0.00 0.00 6.93 7.88 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 0.00 145 P 0.00 4.38 0.00 2.17 2.04 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 146 P 0.00 4.55 0.00 2.21 2.15 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 147 E 8.46 4.55 0.00 1.88 1.82 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 2.17 2.24 0.00 148 N 8.46 5.13 0.00 2.69 2.68 0.00 0.00 6.87 7.58 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 0.00 149 S 8.10 4.25 0.00 3.77 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 0.00 150 D 8.33 4.75 0.00 2.65 2.61 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 0.00 0.00 0.00 151 S 7.83 4.43 0.00 3.81 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 0.00 152 G 8.84 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 0.00 153 T 7.74 3.93 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 0.00 154 G 8.21 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 0.00 155 K 7.81 4.43 0.00 1.85 1.90 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.15 1.23 7.81 156 K 8.21 4.11 0.00 1.75 1.73 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.38 7.81