NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1868 8.3049 120.3507 55.1649 33.4150 172.5130 2 L 3.4810 8.0860 126.3201 51.7078 40.3884 173.5632 3 K 4.1916 8.4770 124.4484 57.0431 34.6808 175.3264 4 Q 4.8580 8.7338 124.5706 55.3018 30.2808 174.7250 5 V 4.8263 8.8418 125.2920 61.1654 35.9037 173.6167 6 E 4.9747 9.0782 124.4851 54.4801 32.5552 174.9920 7 I 4.9111 8.1633 124.6971 59.3884 40.5477 174.5193 8 F 5.4243 9.2564 125.2922 55.9683 42.1128 174.4897 9 T 5.3536 8.5494 111.3320 60.7253 72.5141 172.6398 10 D 4.6505 8.9546 119.3731 53.4723 45.2165 174.3056 11 G 4.5671 8.9267 112.6058 44.6922 0.0000 172.3402 12 S 4.8713 9.0228 116.8158 56.7122 66.3277 172.2764 13 C 5.2350 8.5093 125.7128 57.7629 34.0428 173.8679 14 L 4.2911 9.3646 125.5462 56.4394 42.0406 177.1384 15 G 3.9848 7.3929 106.3045 45.6476 0.0000 172.7837 16 N 4.9994 8.2576 111.9070 52.5927 39.8950 173.4117 17 P 4.6709 0.0000 0.0000 60.9163 34.1373 175.1612 18 G 3.9609 8.1010 106.3037 45.3684 0.0000 170.3517 19 P 4.8207 0.0000 0.0000 62.6336 32.4981 176.2993 20 G 4.4762 9.2167 109.8156 45.5282 0.0000 170.9592 21 G 4.7646 9.3155 106.3415 45.4167 0.0000 171.6961 22 Y 5.5198 8.3966 117.1651 55.0551 41.8552 174.7365 23 G 4.6917 9.5210 107.6766 44.7389 0.0000 171.3245 24 A 5.5320 9.4171 124.7403 50.4708 23.3763 174.9726 25 I 5.1107 9.1993 120.8437 59.4165 41.5226 174.3094 26 L 5.0963 9.3029 128.7885 53.5753 44.4679 174.9569 27 R 5.2206 9.3837 126.4437 54.7236 32.6208 174.9298 28 Y 4.8401 9.0322 125.0610 55.8825 41.3205 175.2895 29 R 3.3291 9.5279 129.5939 57.3288 28.5448 175.3619 30 G 4.3651 8.1437 114.7535 45.6702 0.0000 173.8669 31 R 4.4171 7.5197 116.8183 55.4719 31.0695 174.4698 32 E 5.3514 8.5093 116.6080 54.9882 33.1141 174.3951 33 K 4.5814 9.2185 120.4635 55.0155 35.2759 175.3670 34 T 5.0215 8.1322 120.2150 62.1371 70.9450 174.1034 35 F 5.0392 9.0406 122.4468 56.1586 43.2934 173.7191 36 S 5.1488 8.9728 115.7798 58.0566 65.4868 173.1172 37 A 4.2545 7.3334 124.2273 50.8684 22.4354 175.1959 38 G 4.2918 8.2622 108.2820 44.6017 0.0000 171.8362 39 Y 5.2780 9.0656 120.7498 55.8768 40.7720 176.9214 40 T 3.9054 9.0939 114.4017 64.6118 70.1523 174.1209 41 R 4.5459 7.8083 122.3117 55.7034 32.6631 173.6650 42 T 3.8948 8.3650 122.6050 61.5747 71.0701 172.0765 43 T 4.8324 7.9026 108.7198 59.0438 72.2546 174.0677 44 N 4.2793 8.6638 120.2857 56.9429 39.0030 176.7260 45 N 4.3090 7.9837 117.3270 56.5365 38.5298 177.4624 46 R 3.8906 7.8511 119.2621 59.4061 30.0280 179.0564 47 M 4.0341 8.1104 118.4089 58.1933 31.6953 178.6318 48 A 4.0543 8.1883 121.0105 55.1088 18.4906 179.7325 49 L 3.8563 7.7670 117.2039 58.1190 41.6023 179.3210 50 M 3.7079 8.1617 118.1752 58.3625 32.0889 177.9565 51 A 3.5792 8.0964 120.8736 55.1015 18.6089 179.5434 52 A 3.8751 7.5513 117.7298 55.1889 18.4758 179.7491 53 I 3.5421 7.7540 118.5383 64.6352 36.9951 178.8353 54 V 3.3036 7.4012 117.3365 65.6989 31.4381 177.6058 55 A 3.5614 7.4296 119.9298 54.9836 18.2992 179.6338 56 L 3.7980 7.7265 117.4511 57.9253 41.5324 179.3793 57 E 4.1145 7.9878 116.0883 58.0652 29.4684 178.2414 58 A 4.2558 7.3143 119.9347 52.1562 19.1675 177.4189 59 L 4.1043 7.2474 118.3443 54.6023 42.1811 177.0201 60 K 4.4852 8.4467 121.7970 55.7428 32.3654 175.6130 61 E 4.6459 7.4484 115.0167 55.0499 31.8235 174.4751 62 H 4.4775 8.5990 117.6601 56.7003 29.3029 174.5380 63 C 4.9549 8.7750 118.8809 58.0608 33.5130 172.1746 64 E 4.7835 8.6661 121.4217 55.0437 30.7691 174.6546 65 V 4.5822 9.0600 127.8649 61.1416 34.4752 174.4114 66 I 4.4776 8.2258 129.0816 59.8184 38.4087 174.2594 67 L 4.4356 8.0045 130.8445 53.4178 43.5048 174.8709 68 S 5.2150 8.5780 122.6092 57.0651 64.4817 172.7302 69 T 5.1098 8.8755 120.6526 60.7090 71.3763 173.4027 70 D 5.4893 8.8426 124.8028 52.5891 40.1601 175.4492 71 S 4.4511 8.1683 115.9312 57.9365 62.9255 174.3971 72 Q 3.9103 8.7480 130.9881 59.2326 28.8355 177.3328 73 Y 4.2104 8.0579 120.4007 60.6842 38.9918 177.9337 74 V 3.8006 8.1205 119.2885 65.8617 31.5848 177.9032 75 R 2.5100 7.7234 118.4342 59.0301 29.7295 178.5583 76 Q 3.2223 7.7631 118.1064 58.2734 28.4655 178.9736 77 G 2.7212 7.4960 106.6780 47.4771 0.0000 175.6011 78 I 3.5813 7.5310 122.2160 64.1294 37.2962 178.4490 79 T 3.9961 7.4264 108.6807 63.2378 68.9599 174.9422 80 Q 4.2217 7.3493 115.9877 54.8269 30.4127 175.5903 81 W 4.1452 6.8731 116.7929 56.8985 32.1023 177.0267 82 I 3.5164 7.6805 118.4516 64.4657 37.3485 176.8249 83 H 3.9836 8.0363 118.1025 59.8197 29.3134 176.5778 84 N 4.1396 7.7168 116.3968 55.8295 38.7127 176.8345 85 W 4.4547 7.7847 120.4484 59.8075 28.9718 178.6804 86 K 3.0663 7.1742 117.3448 58.7561 32.0864 178.6532 87 A 4.3592 7.3114 119.7149 50.7644 15.5592 176.9486 88 R 4.4214 7.6313 120.8931 56.0567 32.5643 174.3008 89 G 3.9826 8.5179 103.0581 45.8269 0.0000 174.5181 90 W 3.4864 8.3207 116.3107 56.9726 26.3626 174.2492 91 K 4.9380 7.7429 114.7069 54.6826 36.6865 179.4787 92 T 4.2441 8.8372 113.3635 61.3956 68.7834 173.3112 93 A 3.9389 8.2445 121.5311 55.4127 19.4019 178.2143 94 D 4.5482 7.7027 116.5826 54.0014 38.7789 178.8120 95 K 3.7963 7.7627 111.4980 57.9100 29.5702 173.9804 96 K 4.7029 8.1682 119.5495 53.6722 37.3007 173.5412 97 P 4.4504 0.0000 0.0000 63.5623 31.4686 176.3759 98 V 3.8442 8.2047 116.9079 60.1278 33.1315 175.7355 99 K 4.2195 8.4847 125.7494 57.8426 32.7652 176.1213 100 N 4.3543 8.9985 122.7440 54.4413 36.1223 176.9149 101 V 3.4880 7.4284 120.1703 64.8918 30.7687 176.8373 102 D 4.1857 7.9475 119.2163 56.3062 39.0881 178.4058 103 L 4.0194 7.7085 119.6539 56.7480 41.8297 179.1594 104 W 4.3381 8.1608 119.0670 59.9012 28.9918 178.6433 105 Q 3.6609 7.9770 118.1810 58.7348 27.8801 178.7554 106 R 3.9013 7.6273 119.1563 59.0262 30.0688 178.4482 107 L 3.9822 8.1771 120.5521 58.1739 42.1921 178.1325 108 D 4.6339 8.8132 118.2858 57.7257 40.9022 178.3086 109 A 4.0710 7.9956 119.8356 55.1029 18.7077 179.1298 110 A 4.1389 7.8646 119.3909 55.0161 18.6197 179.8707 111 L 4.1490 8.6849 118.3163 57.7681 41.5300 179.4679 112 G 3.8507 8.0122 103.8315 46.5901 0.0000 174.8446 113 Q 4.2698 7.5950 118.5977 56.8043 29.1716 174.4705 114 H 4.9747 7.5841 115.3730 54.0806 33.8555 172.8013 115 Q 4.3399 9.0755 121.2795 55.3224 29.3855 174.1742 116 I 4.4456 8.1529 127.5732 60.0758 39.0793 176.2864 117 K 4.4064 8.8889 125.5176 53.9646 34.2749 175.3669 118 W 4.2490 8.5043 124.4356 56.2833 30.2834 175.7701 119 E 4.2080 9.0604 124.7198 54.0645 31.3318 174.8979 120 W 4.9372 8.3857 127.6689 56.3098 29.2965 176.3537 121 V 4.2955 8.6592 118.7886 59.9741 33.5986 176.3472 122 K 4.5231 8.6751 123.8702 55.2748 30.6338 177.4043 123 G 3.8807 8.2177 112.3847 42.2424 0.0000 170.2399 124 H 4.1804 7.4959 115.5186 54.2402 30.4130 181.0993 125 A 3.7720 8.4401 124.0847 53.1185 18.0723 177.9239 126 G 4.1340 9.1341 103.4103 44.7730 0.0000 174.7745 127 H 4.6878 8.0010 118.7187 51.9266 30.0485 171.7740 128 P 4.1735 0.0000 0.0000 65.6322 31.2833 177.8289 129 E 3.6929 7.6731 116.2322 59.5281 29.2566 179.0367 130 N 4.4377 7.9347 115.8592 56.3995 38.6810 177.1086 131 E 3.8845 8.5758 120.4227 59.3910 29.5481 179.4225 132 R 4.0228 7.9521 118.6354 59.6798 30.0817 178.3431 133 C 4.2174 8.3926 116.9637 62.8225 28.0444 175.6204 134 N 4.7990 8.3230 120.1637 56.1417 38.4043 176.7330 135 E 3.9405 8.0800 119.8727 59.5304 29.6088 179.3949 136 L 3.9515 7.9976 118.6856 57.6113 41.5896 179.4970 137 A 3.9947 8.3794 121.0689 55.2598 18.4027 179.9383 138 R 3.8371 8.4017 116.7824 59.3226 29.9263 179.0693 139 A 3.9750 8.0570 119.4423 55.2539 18.6474 179.2820 140 A 3.9949 8.1939 118.9927 55.1412 18.1970 179.7384 141 A 4.1517 7.9677 118.6559 55.2906 18.5358 179.0255 142 M 4.2910 7.8298 114.9482 56.1416 33.5990 176.2519 143 N 4.9817 7.7480 117.3885 51.4091 39.3360 172.4692 144 P 4.3455 0.0000 0.0000 63.1251 32.4292 176.9712 145 T 4.4876 8.2152 110.0210 60.9342 70.0915 173.2702 146 L 4.7586 7.2224 121.2546 52.9274 45.6230 174.3638 147 E 4.8970 8.4576 120.3051 54.6022 31.4494 175.9367 148 D 4.7741 8.5721 125.4112 53.0939 39.9760 176.1713 149 T 3.9089 8.6612 121.7909 66.4580 68.6725 175.5375 150 G 3.8878 8.1157 105.5926 45.2491 0.0000 172.0703 151 Y 4.5668 7.9400 121.5434 55.7032 39.9576 173.1542 152 Q 4.3947 7.3211 123.2169 55.9324 33.0725 177.7670 153 V 4.1044 6.7536 122.8871 60.9148 33.0364 177.1196 154 E 3.7690 9.0106 109.3063 57.2392 27.6747 174.7543 155 V 4.0471 7.2177 114.1310 62.2822 32.6503 176.1736 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 4.19 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 L 8.09 3.48 0.00 1.91 1.75 0.92 0.68 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 3 K 8.48 4.19 0.00 1.64 1.84 0.00 1.09 0.00 0.00 0.72 0.00 0.00 2.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.24 7.81 4 Q 8.73 4.86 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 5 V 8.84 4.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.80 0.00 0.00 6 E 9.08 4.97 0.00 1.92 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 2.12 2.24 0.00 7 I 8.16 4.91 1.62 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.82 0.00 0.00 8 F 9.26 5.42 0.00 2.99 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 9 T 8.55 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 1.25 0.00 0.00 10 D 8.95 4.65 0.00 2.91 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.93 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 9.02 4.87 0.00 3.91 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 8.51 5.23 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.36 4.29 0.00 1.70 1.70 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.39 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 0.00 0.00 0.00 16 N 8.26 5.00 0.00 2.70 2.69 0.00 0.00 6.81 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 4.67 0.00 1.92 1.93 0.00 3.97 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 1.99 2.14 0.00 18 G 8.10 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 19 P 0.00 4.82 0.00 2.08 2.00 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 20 G 9.22 4.48 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 0.00 21 G 9.32 4.76 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 22 Y 8.40 5.52 0.00 3.05 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 23 G 9.52 4.69 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 0.00 0.00 0.00 0.00 24 A 9.42 5.53 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 25 I 9.20 5.11 2.11 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 1.19 0.93 1.03 0.00 0.00 26 L 9.30 5.10 0.00 1.91 1.71 1.08 0.79 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 27 R 9.38 5.22 0.00 1.93 1.93 0.00 3.18 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 28 Y 9.03 4.84 0.00 2.83 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 29 R 9.53 3.33 0.00 0.93 1.18 0.00 3.16 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.46 0.00 30 G 8.14 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 0.00 0.00 0.00 0.00 31 R 7.52 4.42 0.00 1.88 2.07 0.00 3.26 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.63 0.00 32 E 8.51 5.35 0.00 2.07 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 2.17 2.33 0.00 33 K 9.22 4.58 0.00 1.65 1.34 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.40 7.81 34 T 8.13 5.02 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 1.20 0.00 0.00 35 F 9.04 5.04 0.00 3.10 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 36 S 8.97 5.15 0.00 3.82 3.62 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 0.00 37 A 7.33 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.26 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 39 Y 9.07 5.28 0.00 2.88 2.86 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 0.00 0.00 0.00 40 T 9.09 3.91 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 1.21 0.00 0.00 41 R 7.81 4.55 0.00 1.81 1.86 0.00 3.33 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 42 T 8.37 3.89 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 1.15 0.00 0.00 43 T 7.90 4.83 4.15 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 0.00 0.00 0.00 1.03 0.00 0.00 44 N 8.66 4.28 0.00 2.85 2.84 0.00 0.00 6.91 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 7.98 4.31 0.00 2.50 2.19 0.00 0.00 7.15 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 7.85 3.89 0.00 1.88 1.85 0.00 3.48 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 47 M 8.11 4.03 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.81 0.00 48 A 8.19 4.05 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 0.00 0.00 0.00 0.00 0.00 49 L 7.77 3.86 0.00 1.70 1.42 0.14 -0.66 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 50 M 8.16 3.71 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.50 0.00 51 A 8.10 3.58 1.45 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 0.00 0.00 52 A 7.55 3.88 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.75 3.54 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.83 0.00 0.00 54 V 7.40 3.30 1.62 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 0.42 0.00 0.00 0.61 0.00 0.00 55 A 7.43 3.56 1.22 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 56 L 7.73 3.80 0.00 1.63 1.68 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.99 4.11 0.00 1.83 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 2.30 2.45 0.00 58 A 7.31 4.26 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 59 L 7.25 4.10 0.00 1.74 1.55 0.56 0.76 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 60 K 8.45 4.49 0.00 1.71 1.80 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.35 7.81 61 E 7.45 4.65 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 62 H 8.60 4.48 0.00 3.02 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.77 4.95 0.00 2.69 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.67 4.78 0.00 2.05 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 2.18 2.20 0.00 65 V 9.06 4.58 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 0.43 0.00 0.00 0.70 0.00 0.00 66 I 8.23 4.48 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.37 0.79 0.00 0.00 67 L 8.00 4.44 0.00 0.98 0.42 -0.13 0.36 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 68 S 8.58 5.22 0.00 4.11 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 69 T 8.88 5.11 4.55 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 1.74 0.00 0.00 70 D 8.84 5.49 0.00 2.99 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 71 S 8.17 4.45 0.00 4.08 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 8.75 3.91 0.00 2.20 2.13 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 2.44 2.45 0.00 73 Y 8.06 4.21 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.12 3.80 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.02 0.00 0.00 75 R 7.72 2.51 0.00 1.01 1.43 0.00 2.41 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.76 3.22 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.80 2.07 0.00 77 G 7.50 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 0.00 0.00 0.00 78 I 7.53 3.58 1.54 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 -0.29 0.68 0.00 0.00 79 T 7.43 4.00 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 0.90 0.00 0.00 80 Q 7.35 4.22 0.00 1.64 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 81 W 6.87 4.15 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 7.68 3.52 1.85 0.00 0.00 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 1.61 1.31 0.90 0.00 0.00 83 H 8.04 3.98 0.00 3.15 3.17 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 7.72 4.14 0.00 2.50 2.74 0.00 0.00 6.89 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 7.78 4.45 0.00 2.93 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 0.00 0.00 0.00 86 K 7.17 3.07 0.00 1.74 1.71 0.00 2.25 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.20 7.81 87 A 7.31 4.36 1.17 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 0.00 0.00 88 R 7.63 4.42 0.00 1.79 1.97 0.00 3.53 0.00 0.00 3.47 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 89 G 8.52 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 0.00 0.00 0.00 90 W 8.32 3.49 0.00 3.35 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 7.74 4.94 0.00 1.77 1.75 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.59 7.81 92 T 8.84 4.24 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 1.22 0.00 0.00 93 A 8.24 3.94 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 94 D 7.70 4.55 0.00 2.77 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 95 K 7.76 3.80 0.00 1.83 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.38 7.81 96 K 8.17 4.70 0.00 1.70 1.61 0.00 1.92 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.58 7.81 97 P 0.00 4.45 0.00 1.89 1.97 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 98 V 8.20 3.84 1.15 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 0.36 0.00 0.00 0.51 0.00 0.00 99 K 8.48 4.22 0.00 1.74 1.87 0.00 2.02 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.46 7.81 100 N 9.00 4.35 0.00 3.37 2.99 0.00 0.00 6.89 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 7.43 3.49 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 0.69 0.00 0.00 0.53 0.00 0.00 102 D 7.95 4.19 0.00 2.81 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.71 4.02 0.00 1.51 1.53 0.81 0.86 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 0.00 104 W 8.16 4.34 0.00 3.30 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.98 3.66 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.63 3.90 0.00 1.97 2.01 0.00 3.04 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 107 L 8.18 3.98 0.00 1.88 2.01 1.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.81 4.63 0.00 3.28 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 0.00 109 A 8.00 4.07 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 0.00 110 A 7.86 4.14 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.68 4.15 0.00 1.98 1.88 1.39 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.01 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.60 4.27 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 114 H 7.58 4.97 0.00 2.94 3.36 0.00 5.64 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 0.00 115 Q 9.08 4.34 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 116 I 8.15 4.45 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 0.17 0.00 0.00 117 K 8.89 4.41 0.00 1.52 1.60 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.29 7.81 118 W 8.50 4.25 0.00 2.53 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 0.00 119 E 9.06 4.21 0.00 1.80 1.78 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 2.21 2.24 0.00 120 W 8.39 4.94 0.00 3.25 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 0.00 121 V 8.66 4.30 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 0.92 0.00 0.00 1.09 0.00 0.00 122 K 8.68 4.52 0.00 1.76 1.80 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.54 7.81 123 G 8.22 3.88 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 0.00 0.00 0.00 124 H 7.50 4.18 0.00 3.30 3.22 0.00 5.77 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 0.00 125 A 8.44 3.77 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 0.00 126 G 9.13 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 0.00 0.00 0.00 0.00 127 H 8.00 4.69 0.00 3.25 3.38 0.00 5.86 0.00 0.00 0.00 0.00 6.74 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 4.17 0.00 2.02 2.07 0.00 3.51 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 129 E 7.67 3.69 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 1.47 2.01 0.00 130 N 7.93 4.44 0.00 2.89 2.99 0.00 0.00 7.03 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 0.00 131 E 8.58 3.88 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 132 R 7.95 4.02 0.00 2.12 1.94 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 133 C 8.39 4.22 0.00 3.25 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 0.00 134 N 8.32 4.80 0.00 2.60 2.82 0.00 0.00 6.84 8.07 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 0.00 135 E 8.08 3.94 0.00 2.24 1.97 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 2.31 2.61 0.00 136 L 8.00 3.95 0.00 1.92 1.72 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.38 3.99 1.55 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 0.00 0.00 138 R 8.40 3.84 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 139 A 8.06 3.98 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 0.00 140 A 8.19 3.99 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 0.00 141 A 7.97 4.15 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 0.00 142 M 7.83 4.29 0.00 2.01 2.22 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 2.75 0.00 143 N 7.75 4.98 0.00 2.61 2.62 0.00 0.00 7.16 7.84 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 0.00 144 P 0.00 4.35 0.00 2.21 2.11 0.00 3.73 0.00 0.00 3.87 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 4.49 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 1.19 0.00 0.00 146 L 7.22 4.76 0.00 1.00 1.37 0.70 0.73 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 0.00 147 E 8.46 4.90 0.00 1.95 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 2.29 2.35 0.00 148 D 8.57 4.77 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.66 3.91 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 150 G 8.12 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 0.00 151 Y 7.94 4.57 0.00 3.08 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 0.00 152 Q 7.32 4.39 0.00 1.80 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 153 V 6.75 4.10 1.97 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 0.80 0.00 0.00 0.84 0.00 0.00 154 E 9.01 3.77 0.00 2.16 1.93 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 2.04 2.22 0.00 155 V 7.22 4.05 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 0.92 0.00 0.00 1.00 0.00 0.00