NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1092 8.0549 114.0545 60.8944 33.0339 174.9042 2 L 4.0015 8.0766 121.7296 52.6037 42.3082 176.3360 3 S 4.5457 8.9841 118.0479 57.4935 66.5070 174.8268 4 E 4.2326 8.7907 122.4566 59.5286 29.4427 179.0655 5 G 3.6503 8.0702 105.2825 47.7826 0.0000 175.4151 6 E 3.9237 8.0747 120.9853 59.0202 29.3864 179.4687 7 W 4.4488 8.1936 119.0499 59.7930 29.0775 178.3539 8 Q 4.0845 8.3437 119.6487 59.2506 28.4243 178.3645 9 L 4.1073 7.9400 119.6439 57.6057 41.6208 179.6794 10 V 3.7426 7.9898 118.2424 66.2612 31.6338 178.2079 11 L 4.3228 8.5565 118.7183 57.4945 41.2025 179.0564 12 H 4.1966 8.2759 118.3411 59.2844 30.0919 177.4309 13 V 3.7644 7.8670 120.7174 64.3596 31.3402 178.1418 14 W 3.8787 8.4036 128.9412 59.9914 30.2679 177.8246 15 A 4.0217 7.8638 120.2810 54.9174 17.5310 179.4394 16 K 3.9163 7.5752 117.0326 59.3025 31.9379 179.7934 17 V 2.8928 6.9257 118.1749 65.6089 31.1743 177.6423 18 E 3.8159 7.4371 116.4541 58.4186 29.2987 178.5358 19 A 4.1622 7.2927 119.3244 53.6762 19.6106 177.4972 20 D 4.6328 7.9725 116.5541 51.9960 42.8033 175.6031 21 V 3.4621 7.8643 124.1577 66.1325 32.0644 176.6518 22 A 4.0540 8.0202 119.8903 55.2027 18.1430 179.6495 23 G 3.5875 8.1382 105.4970 47.7484 0.0000 175.7017 24 H 4.1888 8.2797 118.7592 58.3316 28.7060 178.0292 25 G 3.6472 8.3611 107.9420 47.8741 0.0000 175.6557 26 Q 3.8695 7.9112 120.3516 58.8182 28.7535 178.4991 27 D 4.2986 7.6795 119.7775 57.4932 40.8024 179.1892 28 I 3.6341 7.7226 119.9211 64.5028 37.1080 178.6149 29 L 3.4345 7.7235 119.6937 57.5201 41.2918 179.7135 30 I 3.6534 7.8080 120.2084 64.1523 36.9589 178.4446 31 R 3.8079 8.0251 119.7214 59.1592 29.9365 178.2642 32 L 3.9364 7.8598 120.1884 58.3891 42.1288 179.0499 33 F 4.6138 8.0889 118.0176 60.5703 38.5587 177.8765 34 K 4.1516 8.0987 117.4426 59.4247 32.0509 179.3263 35 S 4.3158 8.0746 114.4752 60.2070 64.0710 174.4949 36 H 4.6855 8.0637 118.3555 51.7603 29.5110 171.5861 37 P 4.4297 0.0000 0.0000 64.6522 31.3763 177.4493 38 E 4.1114 8.1887 115.9519 59.3464 29.5351 179.1372 39 T 3.9856 8.2082 111.4682 64.5139 68.8915 176.5093 40 L 3.5537 7.9383 123.2656 57.7183 41.8460 178.4126 41 E 4.0199 7.6787 117.5709 58.6021 29.5947 178.3496 42 K 4.4219 7.9694 117.0442 57.1549 32.5882 176.6048 43 F 4.5971 8.1340 118.9360 55.5159 38.7628 176.0743 44 D 4.4126 8.5535 127.2508 57.2844 40.9384 179.6324 45 R 3.6615 7.7853 116.9310 58.2313 30.2627 177.1290 46 F 5.0238 7.5926 114.0749 56.8276 40.1282 177.2328 47 K 3.9400 7.5801 120.9216 59.5337 31.9542 178.0041 48 H 4.3398 8.1737 112.9481 57.5603 28.8611 175.4138 49 L 4.1590 7.6393 121.0617 54.8257 41.1955 176.7879 50 K 4.4891 9.4736 123.4063 56.3398 33.6939 176.7280 51 T 4.7482 7.4255 108.8323 58.8771 73.2087 174.1378 52 E 3.9273 8.6742 121.6257 59.2917 29.7987 178.8334 53 A 3.9646 7.9180 120.4506 55.1899 18.2959 179.2913 54 E 3.9311 8.1019 116.0036 59.7682 29.7932 179.1683 55 M 4.1592 8.0629 118.6714 58.4759 31.8455 179.0867 56 K 4.0042 8.1887 117.2222 58.7910 32.2751 178.4119 57 A 4.4886 7.5419 118.5266 51.5575 19.2767 176.9834 58 S 4.3665 7.4307 113.5508 57.0839 62.5678 174.4414 59 E 4.0154 8.8020 129.4949 59.1659 29.4189 177.9545 60 D 4.4205 8.1500 118.0062 57.1696 41.3092 177.8344 61 L 3.3455 7.9750 120.8958 57.8045 42.1045 178.7854 62 K 3.8351 7.9297 119.4591 59.2648 32.1087 178.6635 63 K 3.9637 8.3477 120.1252 59.8783 32.1322 178.3618 64 H 4.4145 8.5327 118.7317 59.1450 29.8116 177.3281 65 G 3.6423 8.3863 107.9380 47.7596 0.0000 175.8748 66 V 3.6234 7.7037 119.9195 66.0526 31.6633 178.1619 67 T 3.9559 7.7064 116.7619 65.9817 68.3004 176.6580 68 V 3.5933 8.0652 120.2598 66.2342 31.5821 178.2194 69 L 4.2747 8.1248 118.7352 57.7206 41.4088 179.6699 70 T 3.9797 8.3381 110.2892 64.6401 68.9047 176.7192 71 A 4.0841 8.0093 123.5560 54.8077 18.3683 179.3927 72 L 3.7597 8.1633 119.1149 57.9320 42.1029 179.3416 73 G 3.4320 8.4497 105.8098 47.8378 0.0000 175.5100 74 A 4.0349 7.7306 122.1904 54.6574 18.5807 179.6797 75 I 3.7855 7.4156 117.8843 64.6388 37.2984 178.6010 76 L 3.9319 7.8203 120.0408 57.7264 41.1457 179.7553 77 K 3.9917 7.7589 117.1680 58.5413 32.1838 178.6014 78 K 4.0205 7.7863 117.5670 54.4805 32.2728 179.0084 79 K 2.0000 7.5563 119.7548 56.8653 31.9318 175.9680 80 G 3.9135 8.1934 115.3705 47.1555 0.0000 173.5374 81 H 5.1090 7.9753 116.4691 54.2062 29.3374 172.9767 82 H 5.3203 7.4442 113.7088 54.3710 29.8081 177.6541 83 E 3.9717 8.5686 121.0191 60.6833 29.1156 178.6438 84 A 4.0496 7.9345 118.5860 55.2476 18.5247 179.0539 85 E 4.1085 8.1159 116.6668 59.3441 29.6737 179.2576 86 L 4.0928 7.9658 118.8871 57.2054 41.6700 179.1236 87 K 3.8300 7.8332 118.4313 59.5200 32.0932 177.4160 88 P 4.3024 0.0000 0.0000 65.2129 31.2186 178.5964 89 L 3.9679 7.4670 118.8325 58.2518 42.2488 178.8321 90 A 4.1101 8.5316 121.0891 55.1150 18.3582 179.3339 91 Q 3.8899 8.1537 118.2795 59.4455 29.1639 178.8044 92 S 4.0155 8.0903 115.2655 61.8378 63.0844 176.0482 93 H 4.2688 8.7619 119.4350 57.5478 27.8723 177.5849 94 A 2.8854 7.7048 123.0141 54.4154 18.4865 179.4075 95 T 3.7218 7.0946 106.1131 63.7961 69.4680 176.1924 96 K 3.9470 7.4654 121.2456 58.9866 32.6205 177.3843 97 H 4.2873 8.0453 114.8566 56.1042 29.5144 175.5995 98 K 3.3108 7.3841 116.6473 56.0723 28.6262 175.4201 99 I 4.2875 8.5122 119.2695 58.5494 38.3869 174.9074 100 P 4.5063 0.0000 0.0000 62.3227 32.1025 177.4403 101 I 3.6116 8.5396 120.8029 64.6405 36.8877 178.4491 102 K 3.6708 7.9302 119.8767 59.6983 31.8962 178.2768 103 Y 4.1879 8.0548 116.9845 60.8795 37.8235 178.2218 104 L 4.1977 7.8509 119.6198 57.4629 41.7879 178.9101 105 E 3.9884 7.9194 119.4770 59.0864 29.5470 178.7883 106 F 4.5144 7.7734 117.9002 60.8433 38.9555 177.5871 107 I 3.8932 8.2639 118.1034 63.9420 37.7412 178.1373 108 S 4.1968 8.1205 116.3871 61.5309 62.6038 176.3493 109 E 4.0737 8.4911 121.1607 59.3711 29.2228 179.2801 110 A 4.0332 8.0688 120.8460 55.1237 18.4240 179.7345 111 I 3.7067 8.1107 118.5404 64.7480 37.2378 178.7814 112 I 3.8915 7.9971 120.6046 64.5269 36.9004 178.0411 113 H 4.1480 8.5430 119.2462 59.4046 29.6879 177.6023 114 V 3.5835 7.9861 120.0556 65.8415 31.2325 177.9369 115 L 3.7363 7.9484 118.9170 57.8453 41.0641 178.9845 116 H 4.4064 7.9720 117.2064 59.3990 29.9235 177.2310 117 S 4.1880 7.8034 115.8575 61.6422 62.7819 176.4429 118 R 4.0832 7.9039 119.0965 57.4819 31.3816 176.5040 119 H 5.0361 8.3329 115.9078 53.7303 29.6958 172.8700 120 P 4.3238 0.0000 0.0000 65.8432 31.6597 179.3665 121 G 3.6630 8.1736 106.7745 47.6503 0.0000 173.7120 122 D 5.0219 8.0765 117.3941 53.9150 41.6789 176.3545 123 F 4.9976 7.8871 119.5361 56.5278 39.5549 174.4374 124 G 3.9232 7.7025 108.6324 43.7355 0.0000 172.0295 125 A 3.8815 8.4781 120.6247 55.4636 18.2129 179.6974 126 D 4.1868 7.9595 116.3501 57.5223 40.9209 178.7774 127 A 3.9852 7.7753 120.7477 55.0257 18.3842 179.2908 128 Q 3.1006 7.9003 118.5748 58.9450 29.0783 178.7360 129 G 3.4902 8.2298 106.8841 47.6306 0.0000 175.5889 130 A 3.8707 7.9683 123.1807 55.1118 18.3338 179.4523 131 M 4.0181 8.3541 117.0580 58.6298 32.2484 177.9100 132 N 4.3118 8.3734 117.4109 56.6472 39.1142 176.9766 133 K 4.1141 8.3066 120.9052 58.8691 32.1266 179.1776 134 A 3.8567 8.0014 121.0819 55.2129 18.3255 179.7509 135 L 4.1082 8.2790 117.6576 57.7713 41.2144 179.5782 136 E 4.0387 8.5307 119.1022 59.1166 29.3281 179.0245 137 L 4.0243 8.1793 120.5727 58.0054 42.1813 178.6157 138 F 4.1675 8.3427 120.6082 61.6009 39.3093 177.3955 139 R 3.5278 8.1388 117.4377 58.8418 29.8541 178.8550 140 K 3.7955 8.3084 119.8195 59.8019 32.0854 178.6030 141 D 4.3436 8.1798 119.0674 57.3321 40.6002 178.8904 142 I 3.4545 7.4246 120.2060 64.0397 36.8881 178.2277 143 A 3.6539 8.1101 121.8465 54.9918 18.2789 179.4820 144 A 3.9256 7.9206 119.2079 55.3423 18.5591 180.0963 145 K 4.0306 7.8479 117.1204 59.6297 32.0262 179.1900 146 Y 4.3202 8.3432 117.4359 61.1894 37.9832 178.6861 147 K 3.9523 8.5336 120.7978 59.2660 32.0027 178.2969 148 E 3.9563 7.7935 118.4635 59.2895 29.7417 178.2118 149 L 4.4181 7.6817 114.8875 54.2608 41.9039 177.1465 150 G 3.8243 7.7288 106.6345 46.6341 0.0000 173.4292 151 Y 4.2930 8.2219 126.5283 57.2673 38.6749 175.0542 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 V 8.05 4.11 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 0.95 0.00 0.00 2 L 8.08 4.00 0.00 0.83 0.59 0.56 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.98 4.55 0.00 4.02 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 4 E 8.79 4.23 0.00 2.19 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 2.43 2.51 0.00 5 G 8.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.07 3.92 0.00 1.98 1.71 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 2.21 2.25 0.00 7 W 8.19 4.45 0.00 3.53 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 8 Q 8.34 4.08 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 9 L 7.94 4.11 0.00 1.95 1.75 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.99 3.74 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 1.22 0.00 0.00 0.91 0.00 0.00 11 L 8.56 4.32 0.00 1.85 1.81 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.28 4.20 0.00 3.33 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.76 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.84 0.00 0.00 14 W 8.40 3.88 0.00 3.68 3.18 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 15 A 7.86 4.02 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 16 K 7.58 3.92 0.00 1.44 1.50 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.42 7.81 17 V 6.93 2.89 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 0.00 0.00 0.06 0.00 0.00 0.18 0.00 0.00 18 E 7.44 3.82 0.00 2.01 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 2.15 2.39 0.00 19 A 7.29 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.63 0.00 2.69 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 21 V 7.86 3.46 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 1.08 0.00 0.00 0.90 0.00 0.00 22 A 8.02 4.05 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 23 G 8.14 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 24 H 8.28 4.19 0.00 3.27 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.36 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.91 3.87 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 27 D 7.68 4.30 0.00 2.54 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 28 I 7.72 3.63 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.90 0.00 0.00 29 L 7.72 3.43 0.00 1.32 0.82 0.74 0.36 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 30 I 7.81 3.65 1.86 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 1.37 0.66 0.88 0.00 0.00 31 R 8.03 3.81 0.00 1.94 2.10 0.00 3.06 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 32 L 7.86 3.94 0.00 1.77 1.48 1.09 1.06 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 33 F 8.09 4.61 0.00 3.13 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 34 K 8.10 4.15 0.00 1.71 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.61 7.81 35 S 8.07 4.32 0.00 3.73 3.58 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 0.00 0.00 0.00 36 H 8.06 4.69 0.00 3.03 2.84 0.00 5.64 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 37 P 0.00 4.43 0.00 2.14 2.12 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 38 E 8.19 4.11 0.00 2.29 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 2.05 2.43 0.00 39 T 8.21 3.99 4.53 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 0.00 0.00 0.00 0.95 0.00 0.00 40 L 7.94 3.55 0.00 1.39 1.79 -0.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.68 4.02 0.00 2.16 2.22 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 2.37 2.44 0.00 42 K 7.97 4.42 0.00 2.05 1.70 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.90 1.97 7.81 43 F 8.13 4.60 0.00 3.19 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 44 D 8.55 4.41 0.00 2.65 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 45 R 7.79 3.66 0.00 0.82 1.06 0.00 3.05 0.00 0.00 3.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 46 F 7.59 5.02 0.00 2.81 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 47 K 7.58 3.94 0.00 1.60 1.90 0.00 1.98 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.57 7.81 48 H 8.17 4.34 0.00 3.28 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.64 4.16 0.00 1.64 1.60 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.47 4.49 0.00 1.66 1.81 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.59 7.81 51 T 7.43 4.75 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 1.21 0.00 0.00 52 E 8.67 3.93 0.00 2.05 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 2.36 2.36 0.00 53 A 7.92 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.10 3.93 0.00 2.11 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 2.35 2.35 0.00 55 M 8.06 4.16 0.00 2.06 2.26 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 2.78 2.58 0.00 56 K 8.19 4.00 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 57 A 7.54 4.49 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 58 S 7.43 4.37 0.00 3.88 3.86 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 59 E 8.80 4.02 0.00 2.14 1.96 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 2.40 2.45 0.00 60 D 8.15 4.42 0.00 2.97 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 61 L 7.98 3.35 0.00 1.35 1.60 -0.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.93 3.84 0.00 1.87 1.97 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.35 3.96 0.00 1.92 2.10 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.53 4.41 0.00 3.68 3.57 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.39 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 66 V 7.70 3.62 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 1.12 0.00 0.00 0.99 0.00 0.00 67 T 7.71 3.96 4.39 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 1.28 0.00 0.00 68 V 8.07 3.59 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 1.10 0.00 0.00 1.01 0.00 0.00 69 L 8.12 4.27 0.00 1.81 1.89 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.34 3.98 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 1.33 0.00 0.00 71 A 8.01 4.08 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.16 3.76 0.00 1.58 1.57 0.16 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.45 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 0.00 0.00 0.00 74 A 7.73 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.42 3.79 1.88 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 1.54 0.66 0.93 0.00 0.00 76 L 7.82 3.93 0.00 1.22 1.54 -0.22 1.01 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 77 K 7.76 3.99 0.00 1.67 1.81 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.55 7.81 78 K 7.79 4.02 0.00 1.89 1.84 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.93 7.81 79 K 7.56 2.00 0.00 1.12 0.74 0.00 1.48 0.00 0.00 1.39 0.00 0.00 2.67 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.92 7.81 80 G 8.19 3.91 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 0.00 0.00 0.00 81 H 7.98 5.11 0.00 3.01 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.44 5.32 0.00 3.27 3.54 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.57 3.97 0.00 2.10 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 2.43 2.49 0.00 84 A 7.93 4.05 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 85 E 8.12 4.11 0.00 2.22 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 2.39 2.46 0.00 86 L 7.97 4.09 0.00 1.72 1.66 0.76 0.67 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 87 K 7.83 3.83 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.80 7.81 88 P 0.00 4.30 0.00 2.19 2.12 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 89 L 7.47 3.97 0.00 1.84 1.83 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.53 4.11 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 91 Q 8.15 3.89 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 92 S 8.09 4.02 0.00 4.00 4.11 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 93 H 8.76 4.27 0.00 3.52 3.60 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.70 2.89 0.76 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 95 T 7.09 3.72 4.09 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 1.06 0.00 0.00 96 K 7.47 3.95 0.00 1.54 1.72 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.35 7.81 97 H 8.05 4.29 0.00 2.99 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.38 3.31 0.00 1.81 1.78 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.05 1.22 7.81 99 I 8.51 4.29 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 1.16 0.00 0.00 100 P 0.00 4.51 0.00 1.94 1.91 0.00 2.98 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 101 I 8.54 3.61 1.80 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.78 0.00 0.00 102 K 7.93 3.67 0.00 1.75 1.73 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 0.69 7.81 103 Y 8.05 4.19 0.00 3.25 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 0.00 104 L 7.85 4.20 0.00 1.85 1.84 0.67 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.92 3.99 0.00 1.98 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 2.53 2.36 0.00 106 F 7.77 4.51 0.00 3.26 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 0.00 107 I 8.26 3.89 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 1.10 0.00 0.00 108 S 8.12 4.20 0.00 4.23 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 0.00 109 E 8.49 4.07 0.00 2.36 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 2.44 2.63 0.00 110 A 8.07 4.03 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 0.00 111 I 8.11 3.71 2.12 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 1.08 0.00 0.00 112 I 8.00 3.89 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 1.18 0.00 0.00 113 H 8.54 4.15 0.00 3.42 3.49 0.00 5.78 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 0.00 114 V 7.99 3.58 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 0.97 0.00 0.00 0.97 0.00 0.00 115 L 7.95 3.74 0.00 1.02 0.31 0.75 0.61 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 0.00 116 H 7.97 4.41 0.00 3.51 3.58 0.00 5.95 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 0.00 117 S 7.80 4.19 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.90 4.08 0.00 1.45 1.51 0.00 2.82 0.00 0.00 2.69 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 119 H 8.33 5.04 0.00 3.13 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.32 0.00 2.19 2.31 0.00 3.77 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 2.07 1.93 0.00 121 G 8.17 3.66 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 0.00 0.00 0.00 122 D 8.08 5.02 0.00 2.78 2.81 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 0.00 123 F 7.89 5.00 0.00 3.00 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 0.00 124 G 7.70 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 0.00 125 A 8.48 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.96 4.19 0.00 2.65 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 0.00 127 A 7.78 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.90 3.10 0.00 1.43 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 129 G 8.23 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 0.00 130 A 7.97 3.87 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.35 4.02 0.00 2.45 2.45 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 132 N 8.37 4.31 0.00 2.97 2.95 0.00 0.00 7.20 6.70 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 0.00 133 K 8.31 4.11 0.00 1.85 1.65 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.40 7.81 134 A 8.00 3.86 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 0.00 135 L 8.28 4.11 0.00 1.75 1.80 0.98 1.05 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 0.00 136 E 8.53 4.04 0.00 2.18 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 2.34 2.58 0.00 137 L 8.18 4.02 0.00 1.89 2.02 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.34 4.17 0.00 3.12 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 0.00 139 R 8.14 3.53 0.00 2.02 1.85 0.00 3.16 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.99 0.00 140 K 8.31 3.80 0.00 1.88 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 D 8.18 4.34 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 0.00 142 I 7.42 3.45 1.38 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.17 0.11 0.00 0.00 143 A 8.11 3.65 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 0.00 144 A 7.92 3.93 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 0.00 145 K 7.85 4.03 0.00 1.96 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.62 7.81 146 Y 8.34 4.32 0.00 3.17 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 0.00 147 K 8.53 3.95 0.00 1.83 1.99 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.79 3.96 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 149 L 7.68 4.42 0.00 1.69 1.67 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.73 3.82 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 0.00 0.00 0.00 151 Y 8.22 4.29 0.00 2.64 2.55 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