NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3918 8.2893 120.3493 55.5222 32.0844 173.9692 2 N 4.5100 8.0438 120.8718 50.3554 37.8798 170.9591 3 E 3.9586 9.3212 125.3779 57.1349 29.3186 178.3232 4 L 4.4088 8.1427 124.4928 53.3823 40.6587 175.9843 5 E 4.5230 8.0153 123.3023 53.5449 32.0617 175.8682 6 G 3.7955 8.1457 112.6824 45.2483 0.0000 172.1500 7 Y 4.7555 8.7614 117.1378 56.1104 40.3388 176.7806 8 V 4.0947 8.5789 123.4733 63.3524 32.5628 177.5177 9 T 4.2214 8.1566 117.3063 66.0859 68.8209 174.9541 10 K 4.4069 7.9503 119.9857 56.6275 32.8135 177.3798 11 A 4.2714 8.2969 123.5576 53.6113 18.7638 182.1467 12 Q 3.4059 7.8570 112.1314 57.8730 31.6971 180.1448 13 S 4.0714 7.9975 110.7716 59.9912 63.1697 174.3093 14 F 4.2570 8.5193 119.7984 56.4877 39.8941 174.4895 15 R 4.5741 8.3763 121.6404 54.7118 32.3965 174.3118 16 F 5.7662 8.9591 122.8459 54.6835 43.9175 173.5305 17 A 4.6802 8.3190 120.2405 50.4733 22.4374 175.0018 18 I 4.8250 8.9033 122.8903 59.4481 40.4311 174.9825 19 V 4.5988 8.6516 125.5730 61.1886 34.3228 174.6181 20 V 5.2955 8.7609 120.5322 58.3313 35.3785 174.6126 21 A 5.1259 8.5028 125.7428 51.2165 19.5281 177.8634 22 R 4.2571 9.5164 122.6748 58.8044 30.6096 176.8129 23 F 4.1007 8.2094 120.0147 59.6971 39.8354 174.1898 24 N 4.3142 8.4277 123.4766 54.3368 36.2647 176.0640 25 E 4.5145 8.0362 121.4211 59.2903 29.4107 177.5492 26 F 3.9759 8.3292 118.6109 60.9725 39.4505 176.4058 27 V 4.1328 8.3495 117.2047 65.0293 32.0929 177.5636 28 T 3.8608 8.0084 109.0723 65.1049 68.2924 175.3515 29 R 4.0522 8.4786 121.9986 59.3735 29.9223 178.1489 30 R 3.8150 7.9657 116.7575 59.3134 30.1179 178.2109 31 L 3.8599 8.2731 120.1658 58.6009 41.9817 178.7395 32 M 3.8372 8.6198 117.8810 58.8133 32.2025 177.6319 33 E 4.0702 8.6972 119.1734 59.6305 29.5693 179.9164 34 G 3.4853 8.3235 105.3717 47.6944 0.0000 175.3696 35 A 3.6583 7.5039 122.5284 54.8529 18.6785 178.7748 36 L 4.1585 8.3256 118.7575 58.6318 42.0061 178.3033 37 D 4.4142 8.6307 117.7120 58.1556 41.1332 178.8504 38 T 3.8969 7.9981 115.8906 66.8973 68.1885 176.1390 39 F 4.3228 7.6468 118.1628 60.7246 39.2631 177.4410 40 K 4.1840 8.2798 117.2040 59.6753 31.7719 178.9092 41 K 3.8360 8.5227 118.5590 59.2329 32.6373 176.9046 42 Y 4.3233 8.6437 117.5991 58.5204 38.4208 176.0402 43 S 3.8001 8.2135 111.1770 58.8534 63.5480 172.8667 44 V 3.9704 7.8250 120.2561 62.1085 31.7091 175.7820 45 N 4.7117 8.3035 120.8760 53.7218 40.5707 174.0770 46 E 4.5138 9.0371 126.2731 56.5157 30.6877 174.5576 47 D 4.2895 8.8829 114.0081 59.8227 40.1716 173.9095 48 I 3.5847 6.5120 109.2312 58.3843 39.4802 174.4007 49 D 4.6559 8.7291 124.2346 54.0349 42.2577 175.4245 50 V 4.6277 8.3518 116.2199 59.5501 34.0350 175.0228 51 V 4.2875 8.8521 126.6288 60.9296 33.3791 174.3719 52 W 5.1972 8.8565 128.1413 55.9024 30.2739 176.1857 53 V 4.7114 9.0650 118.0607 58.8514 34.8719 174.8757 54 P 4.3678 0.0000 0.0000 65.4861 32.0421 176.4174 55 G 4.5637 8.1989 108.1331 42.4706 0.0000 173.0878 56 A 3.9287 8.6604 122.9511 55.3598 18.3802 179.4440 57 Y 3.9144 8.3441 116.0874 61.1903 38.6315 178.1284 58 E 4.1205 8.7141 119.3058 59.5078 29.5334 179.4045 59 L 3.9601 7.7279 118.8753 58.6852 41.7370 179.0572 60 G 3.6989 7.8253 101.7323 49.3072 0.0000 175.6260 61 V 3.6587 7.6722 112.1631 63.8608 32.0846 178.6086 62 T 3.8345 7.7385 114.7885 66.6808 68.2731 176.2792 63 A 3.8829 8.5916 122.5844 55.5926 18.4072 179.3394 64 Q 3.8587 8.4840 118.1700 60.0416 29.1765 178.7573 65 A 4.0122 8.8048 122.0797 54.6360 18.0753 179.1222 66 L 4.1283 8.1980 117.8454 57.8306 42.3407 180.2361 67 G 3.8138 8.9169 105.7039 47.9827 0.0000 176.0671 68 K 4.1532 8.1359 120.2837 58.3267 32.3909 179.0229 69 S 4.3385 8.4176 114.3400 58.7689 62.6502 175.2726 70 G 3.9461 7.8785 109.4946 46.2577 0.0000 174.7502 71 K 3.8019 7.7969 119.3573 58.1455 32.2176 176.9296 72 Y 4.7973 7.3922 114.2233 56.6146 40.2944 174.9365 73 H 4.8220 9.1010 118.4517 57.4898 30.0329 175.7217 74 A 4.9467 7.8507 117.9916 50.7375 22.6686 175.1147 75 I 4.8728 8.8414 115.4282 58.9258 40.8271 174.6462 76 V 4.6534 8.8436 125.4137 60.1087 33.9058 174.0817 77 C 5.1231 9.1555 122.8266 57.8682 30.7285 172.8230 78 L 5.5251 7.9958 123.4865 52.0995 44.9550 175.8056 79 G 4.3332 8.0726 107.3568 46.3713 0.0000 171.9442 80 A 5.2788 8.5554 121.4704 50.6017 22.1077 176.2435 81 V 4.2925 9.2040 123.3074 59.9749 33.6273 175.2525 82 V 4.3440 8.4761 119.3993 60.4930 32.6606 177.6971 83 K 3.5368 8.5219 127.2118 56.6980 29.1299 176.9917 84 G 3.7860 8.5516 113.2211 47.2651 0.0000 171.6127 85 D 4.6241 7.8049 117.1567 54.6017 43.4911 177.6772 86 T 4.2749 8.4813 114.8877 61.3110 70.7744 176.0819 87 S 5.0264 8.5341 116.9508 60.0626 62.6237 175.2165 88 H 3.8959 7.9762 123.1337 60.1649 29.4211 175.3116 89 Y 4.1654 8.2396 120.4082 61.3911 38.4559 177.7213 90 D 4.1965 8.4567 118.1881 57.9552 41.0750 178.6300 91 A 3.8533 8.2657 120.2507 55.9340 18.2709 179.4675 92 V 3.6079 8.3907 115.6928 66.0508 31.6027 178.3048 93 V 3.4718 8.0360 117.9718 66.3699 31.1853 177.8711 94 N 4.2345 8.7518 116.0771 56.3835 38.3743 177.2623 95 S 3.9937 8.1181 116.1741 62.0534 62.9751 176.3495 96 A 3.9460 8.6415 123.8660 55.4156 17.9841 179.1248 97 S 4.2567 8.6574 110.3505 61.7887 62.5102 176.5092 98 S 4.1097 8.8737 116.4298 61.6227 62.0766 176.1859 99 G 3.6410 8.5554 108.5370 48.2080 0.0000 175.3971 100 V 3.6599 7.9760 121.1164 65.8102 31.4706 177.3855 101 L 3.9337 8.2068 120.0594 57.5987 41.8026 178.7411 102 S 4.0850 8.8095 114.8159 62.0758 63.0449 176.4887 103 A 4.1086 8.6576 123.1867 55.4204 17.9445 179.4980 104 G 4.3173 8.2627 102.9079 47.8133 0.0000 175.4771 105 L 4.0264 7.7969 120.0746 57.5873 41.8045 179.0763 106 N 4.5090 8.6327 115.5958 56.4273 38.6169 177.4112 107 S 4.3805 8.7357 114.6355 59.0317 63.3390 175.4049 108 G 3.9720 8.1376 109.4399 45.6350 0.0000 172.8032 109 V 4.5418 7.8497 120.1845 59.8382 34.3168 173.1918 110 P 4.5462 0.0000 0.0000 63.3013 32.3106 174.7757 111 C 5.2253 8.5929 122.3532 57.8079 30.6538 173.8148 112 V 3.7487 8.8731 125.8592 62.5375 32.3353 175.3711 113 F 4.4929 8.9834 131.5831 56.3645 37.8898 175.5308 114 G 4.1925 8.7155 118.4296 44.1236 0.0000 170.6748 115 V 4.8763 6.3757 116.9822 59.6021 34.4167 177.3023 116 L 4.4308 8.9372 125.6575 54.1921 42.9408 177.1444 117 T 5.3797 7.9266 112.0697 60.3901 68.2212 173.1539 118 C 4.2927 8.1832 119.2693 60.4756 30.1797 174.5838 119 D 4.5022 8.9924 120.1155 56.0324 39.6986 176.7234 120 N 4.7239 9.6025 116.4192 51.9011 39.4456 175.7958 121 M 3.9765 8.8349 119.7566 59.2134 32.1567 177.7970 122 D 4.3685 8.2269 117.2759 57.7926 41.0053 178.1678 123 Q 3.9895 8.7500 116.7879 58.9976 29.0238 178.6308 124 A 4.1661 7.7308 120.9634 55.5535 18.3551 179.4425 125 I 3.7727 8.0446 118.2319 65.1773 37.2273 178.2939 126 N 4.4227 8.1639 116.7977 56.1430 38.3989 177.4831 127 R 4.0753 8.6084 119.2000 57.4823 30.9027 176.8038 128 A 4.4563 7.5615 123.7938 51.4574 18.2918 177.4876 129 G 3.9176 8.9237 105.9830 45.8307 0.0000 173.9091 130 G 4.2360 7.7706 111.0392 44.0262 0.0000 175.4273 131 K 4.1885 8.2878 120.2440 58.1498 32.5504 177.2300 132 A 4.4786 7.9908 121.4810 51.8115 20.0898 178.4934 133 G 3.7287 8.7557 105.1702 45.3121 0.0000 172.8979 134 N 5.8327 8.0679 119.2126 50.0355 41.4529 175.5650 135 K 4.1578 8.1764 131.2675 59.0042 32.3305 177.9408 136 G 3.7336 8.2410 104.8654 48.1517 0.0000 174.8319 137 A 3.7775 8.4600 123.3151 54.5676 18.0778 179.2994 138 E 3.7334 7.9926 116.7514 59.7979 29.1447 179.8262 139 S 3.9937 8.5145 114.8794 61.5319 62.8227 176.4231 140 A 3.3834 7.5568 123.0904 54.9159 17.8912 179.0320 141 L 3.3428 7.4393 118.4296 58.6886 42.0258 179.4504 142 T 3.6746 7.9327 115.3406 66.4174 68.2833 176.0936 143 A 3.8954 8.0719 122.9727 55.8368 18.2471 179.1268 144 I 3.6275 7.5960 117.7904 64.7393 37.1590 177.7549 145 E 3.8306 8.4231 119.4288 59.9247 29.4240 179.3933 146 M 3.8241 8.4550 118.2856 58.4672 31.8072 178.0713 147 A 3.8471 7.8791 119.5807 55.3853 18.7453 178.9000 148 S 4.2316 7.9748 110.6571 61.5634 62.3706 176.2547 149 L 3.9944 8.3247 122.9799 58.6765 41.7975 179.0307 150 F 4.4578 8.8762 117.4681 59.2913 39.8789 174.8683 151 E 5.2198 7.8602 118.3259 52.8976 28.6256 173.7726 152 H 4.8278 7.8394 129.1452 56.8941 32.4513 174.6706 153 H 4.4512 9.0924 113.8845 57.3014 28.9442 175.0038 154 L 3.4613 6.8700 121.8140 54.0524 42.5198 174.1591 155 K 4.1215 7.5191 120.9968 56.8098 32.7181 175.9903 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 8.29 4.39 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.04 4.51 0.00 2.91 2.78 0.00 0.00 6.33 6.77 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 3 E 9.32 3.96 0.00 1.97 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 2.33 0.00 4 L 8.14 4.41 0.00 1.69 1.83 0.96 0.98 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 5 E 8.02 4.52 0.00 1.79 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 6 G 8.15 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 0.00 0.00 0.00 7 Y 8.76 4.76 0.00 2.97 2.87 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 8 V 8.58 4.09 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 0.96 0.00 0.00 0.89 0.00 0.00 9 T 8.16 4.22 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 1.25 0.00 0.00 10 K 7.95 4.41 0.00 1.95 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.61 1.84 7.81 11 A 8.30 4.27 1.56 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 12 Q 7.86 3.41 0.00 2.32 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.00 4.07 0.00 3.62 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 14 F 8.52 4.26 0.00 2.64 2.30 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 15 R 8.38 4.57 0.00 1.82 1.63 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 16 F 8.96 5.77 0.00 2.46 2.65 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 17 A 8.32 4.68 0.18 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 0.00 0.00 0.00 18 I 8.90 4.83 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.74 0.00 0.00 19 V 8.65 4.60 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 0.83 0.00 0.00 0.85 0.00 0.00 20 V 8.76 5.30 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 0.67 0.00 0.00 -0.55 0.00 0.00 21 A 8.50 5.13 1.36 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 22 R 9.52 4.26 0.00 1.96 2.14 0.00 3.04 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.33 0.00 23 F 8.21 4.10 0.00 3.32 2.97 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 24 N 8.43 4.31 0.00 3.25 3.07 0.00 0.00 6.73 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 25 E 8.04 4.51 0.00 2.31 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 0.00 2.36 2.28 0.00 26 F 8.33 3.98 0.00 3.11 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 27 V 8.35 4.13 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 1.00 0.00 0.00 1.16 0.00 0.00 28 T 8.01 3.86 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 1.36 0.00 0.00 29 R 8.48 4.05 0.00 2.16 1.99 0.00 3.36 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.97 3.82 0.00 2.07 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 L 8.27 3.86 0.00 1.88 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.62 3.84 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 33 E 8.70 4.07 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 34 G 8.32 3.49 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 0.00 35 A 7.50 3.66 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.33 4.16 0.00 1.99 1.71 1.02 1.20 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 37 D 8.63 4.41 0.00 2.78 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 38 T 8.00 3.90 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 0.80 0.00 0.00 39 F 7.65 4.32 0.00 3.34 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 40 K 8.28 4.18 0.00 1.98 1.94 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.52 7.81 41 K 8.52 3.84 0.00 2.05 2.29 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 42 Y 8.64 4.32 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 43 S 8.21 3.80 0.00 4.13 4.02 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 44 V 7.82 3.97 2.41 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 0.90 0.00 0.00 1.30 0.00 0.00 45 N 8.30 4.71 0.00 2.75 2.75 0.00 0.00 6.94 7.53 0.00 0.00 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 E 9.04 4.51 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 47 D 8.88 4.29 0.00 2.78 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 48 I 6.51 3.58 1.71 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 1.40 1.65 0.52 0.00 0.00 49 D 8.73 4.66 0.00 2.62 2.65 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 50 V 8.35 4.63 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.90 0.00 0.00 51 V 8.85 4.29 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 1.08 0.00 0.00 0.86 0.00 0.00 52 W 8.86 5.20 0.00 3.24 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 53 V 9.06 4.71 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 0.83 0.00 0.00 1.12 0.00 0.00 54 P 0.00 4.37 0.00 2.21 2.38 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 55 G 8.20 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 56 A 8.66 3.93 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 57 Y 8.34 3.91 0.00 3.00 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 58 E 8.71 4.12 0.00 2.39 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 0.00 2.42 2.50 0.00 59 L 7.73 3.96 0.00 1.73 1.69 0.84 0.91 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 60 G 7.83 3.70 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 0.00 0.00 0.00 61 V 7.67 3.66 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 0.82 0.00 0.00 1.03 0.00 0.00 62 T 7.74 3.83 4.38 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 1.21 0.00 0.00 63 A 8.59 3.88 1.36 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 64 Q 8.48 3.86 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.80 4.01 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 66 L 8.20 4.13 0.00 1.74 1.69 0.71 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.92 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.14 4.15 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.42 4.34 0.00 4.07 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.88 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 71 K 7.80 3.80 0.00 0.79 1.19 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.36 7.81 72 Y 7.39 4.80 0.00 2.94 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 73 H 9.10 4.82 0.00 2.83 3.45 0.00 5.89 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 74 A 7.85 4.95 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 75 I 8.84 4.87 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.76 0.00 0.00 76 V 8.84 4.65 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 0.96 0.00 0.00 0.83 0.00 0.00 77 C 9.16 5.12 0.00 2.68 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 78 L 8.00 5.53 0.00 1.39 1.40 0.79 0.65 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 79 G 8.07 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 0.00 0.00 0.00 0.00 80 A 8.56 5.28 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 81 V 9.20 4.29 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 0.85 0.00 0.00 0.87 0.00 0.00 82 V 8.48 4.34 2.32 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.52 3.54 0.00 0.79 1.33 0.00 0.86 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.08 0.65 7.81 84 G 8.55 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.80 4.62 0.00 2.63 2.41 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 86 T 8.48 4.27 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 87 S 8.53 5.03 0.00 4.28 4.21 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 88 H 7.98 3.90 0.00 3.24 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.24 4.17 0.00 3.11 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 90 D 8.46 4.20 0.00 2.90 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 91 A 8.27 3.85 1.34 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 0.00 0.00 0.00 92 V 8.39 3.61 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 0.95 0.00 0.00 1.04 0.00 0.00 93 V 8.04 3.47 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.10 0.00 0.00 94 N 8.75 4.23 0.00 2.83 2.79 0.00 0.00 7.06 8.17 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 95 S 8.12 3.99 0.00 3.71 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 96 A 8.64 3.95 1.36 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 97 S 8.66 4.26 0.00 3.73 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 98 S 8.87 4.11 0.00 3.79 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 99 G 8.56 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 0.00 100 V 7.98 3.66 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 1.09 0.00 0.00 1.02 0.00 0.00 101 L 8.21 3.93 0.00 1.83 1.72 0.89 0.75 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 0.00 102 S 8.81 4.08 0.00 3.98 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 0.00 103 A 8.66 4.11 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 0.00 104 G 8.26 4.32 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 0.00 105 L 7.80 4.03 0.00 1.82 1.76 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.63 4.51 0.00 2.70 2.90 0.00 0.00 7.19 8.22 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 0.00 107 S 8.74 4.38 0.00 4.03 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 0.00 108 G 8.14 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 0.00 0.00 0.00 109 V 7.85 4.54 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 1.09 0.00 0.00 1.10 0.00 0.00 110 P 0.00 4.55 0.00 1.95 1.75 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 111 C 8.59 5.23 0.00 2.96 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 0.00 112 V 8.87 3.75 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 0.74 0.00 0.00 0.92 0.00 0.00 113 F 8.98 4.49 0.00 3.05 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 0.00 114 G 8.72 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 6.38 4.88 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 -0.78 0.00 0.00 0.74 0.00 0.00 116 L 8.94 4.43 0.00 1.62 1.66 0.95 0.33 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 0.00 117 T 7.93 5.38 4.32 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 1.28 0.00 0.00 118 C 8.18 4.29 0.00 2.97 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 0.00 119 D 8.99 4.50 0.00 2.68 2.52 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 0.00 120 N 9.60 4.72 0.00 2.89 2.91 0.00 0.00 6.77 8.32 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 0.00 121 M 8.83 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.23 4.37 0.00 2.74 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 0.00 123 Q 8.75 3.99 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 124 A 7.73 4.17 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 0.00 125 I 8.04 3.77 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.32 1.02 0.00 0.00 126 N 8.16 4.42 0.00 3.00 2.87 0.00 0.00 7.03 7.65 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 0.00 127 R 8.61 4.08 0.00 1.92 1.98 0.00 3.28 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.56 4.46 1.25 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 0.00 0.00 0.00 129 G 8.92 3.92 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 0.00 0.00 0.00 130 G 7.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.29 4.19 0.00 1.83 1.95 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.48 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 0.00 133 G 8.76 3.73 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 0.00 0.00 0.00 134 N 8.07 5.83 0.00 2.71 2.60 0.00 0.00 6.78 6.35 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 0.00 135 K 8.18 4.16 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.24 3.73 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 0.00 0.00 0.00 137 A 8.46 3.78 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 0.00 138 E 7.99 3.73 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 139 S 8.51 3.99 0.00 3.84 3.79 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 0.00 0.00 0.00 140 A 7.56 3.38 0.22 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 0.00 141 L 7.44 3.34 0.00 1.43 1.64 0.71 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.93 3.67 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 1.12 0.00 0.00 143 A 8.07 3.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.60 3.63 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.92 0.00 0.00 145 E 8.42 3.83 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 146 M 8.46 3.82 0.00 1.66 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 147 A 7.88 3.85 1.14 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 0.00 148 S 7.97 4.23 0.00 3.83 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.32 3.99 0.00 1.85 2.03 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.88 4.46 0.00 3.42 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 0.00 151 E 7.86 5.22 0.00 2.25 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 2.37 0.00 152 H 7.84 4.83 0.00 3.37 3.68 0.00 5.71 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 0.00 153 H 9.09 4.45 0.00 3.32 3.73 0.00 5.96 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 0.00 154 L 6.87 3.46 0.00 1.76 1.61 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.52 4.12 0.00 1.83 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.41 7.81