NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8866 8.3016 109.1152 44.9264 0.0000 174.0060 4 D 4.1399 8.5851 124.8810 53.4586 42.2990 174.9695 5 K 3.8474 9.5677 129.1015 59.8281 32.6567 178.3877 6 K 4.0052 8.1181 118.0786 58.8902 32.0047 179.1184 7 V 3.6392 8.9903 119.3785 66.4232 31.3570 178.1207 8 I 3.7115 7.9537 119.2708 64.4723 36.8712 178.5375 9 Q 3.9494 8.0563 118.7871 59.3234 28.4973 178.4943 10 H 4.1425 8.6125 117.6072 58.8698 28.6395 177.9078 11 L 4.0139 8.3343 121.1287 57.9600 41.4530 179.3847 12 N 4.3654 8.4656 116.6071 55.8983 38.4860 177.5089 13 K 3.9455 8.1890 121.4184 59.4942 32.2427 178.9786 14 I 3.7142 8.0205 120.3407 64.2010 36.9159 177.9433 15 L 4.0231 8.3511 121.7330 58.2627 41.7517 179.2921 16 G 3.6155 7.9987 105.4609 48.0114 0.0000 175.4165 17 N 4.3798 8.0618 118.7222 55.9402 38.0374 177.3851 18 E 3.9491 8.4150 120.2155 59.4903 29.3409 179.4364 19 L 4.0335 8.2108 119.2369 57.6547 41.5091 179.7404 20 I 3.6420 7.5667 119.4074 64.2677 37.0087 178.2668 21 A 3.2626 7.6866 121.4057 54.7882 18.0824 179.6086 22 I 3.6019 7.7121 118.3176 64.7873 37.1776 178.4743 23 N 4.3546 7.7289 116.9362 56.1820 38.3717 177.4007 24 Q 3.8338 8.1524 121.1756 59.5024 29.1730 177.9650 25 Y 4.7841 8.0837 119.5472 60.4967 37.8381 178.1302 26 F 3.9667 8.5252 121.7081 61.1625 39.4610 176.8562 27 L 3.9866 8.2819 120.0477 58.6083 41.9149 178.5328 28 H 3.8112 8.2006 116.0276 58.7630 28.5247 177.3750 29 S 4.3489 8.5155 115.2384 61.9569 62.1811 176.7109 30 R 3.8101 7.9984 120.4186 59.1926 29.7172 179.0703 31 M 3.4502 8.0054 118.9026 58.0346 31.8902 178.8307 32 W 4.4304 7.8607 118.9387 59.7719 29.1904 178.3963 33 N 4.3725 8.4765 116.6631 56.4880 37.8223 176.9255 34 D 4.3809 8.3670 118.2682 56.8731 41.3171 177.5429 35 W 4.8913 8.0342 117.0617 56.7573 29.4930 177.1335 36 G 3.9753 8.3933 108.0434 45.8536 0.0000 174.2616 37 L 4.8473 7.8570 121.3445 53.1745 40.4072 177.6189 38 K 4.0174 8.2902 121.3628 59.0648 32.3820 179.2461 39 R 3.8372 8.0071 119.3215 59.3363 29.9633 178.4548 40 L 3.7679 7.7628 118.4334 57.5559 41.3974 179.4870 41 G 3.7889 8.2132 105.4115 47.8437 0.0000 175.5290 42 A 3.9644 8.3013 123.8613 55.1047 18.5227 179.1795 43 H 3.9516 8.3471 116.8408 59.4331 29.3822 177.1112 44 E 3.9997 8.6950 121.5397 59.1193 29.4837 177.8901 45 Y 4.0012 8.3242 120.1136 61.2911 38.8173 178.1496 46 H 4.0598 8.1570 116.7510 58.7767 28.6967 177.7130 47 E 3.8358 7.9081 120.4044 59.2031 29.1560 179.2076 48 S 4.2693 8.1386 113.1626 61.6242 62.5160 176.2768 49 I 3.5799 7.5041 122.3575 64.5082 36.7815 178.1415 50 D 4.2734 8.1739 119.6642 57.3924 40.5184 178.7517 51 E 4.2443 8.1568 120.4380 59.1989 29.4433 179.3043 52 M 4.0345 8.2838 118.8891 58.2874 32.0409 179.0010 53 K 4.0295 8.0223 118.7727 59.5279 32.1922 179.2155 54 H 4.2737 8.1586 116.4827 58.8307 28.5708 177.5811 55 A 4.0293 8.2960 122.8327 55.1177 18.1301 179.1245 56 D 4.2537 8.0215 116.4787 57.5723 41.3072 178.6971 57 K 3.9960 7.9724 118.6828 59.4210 31.9371 179.3786 58 L 4.0068 8.0627 119.1938 57.9037 41.5653 179.5067 59 I 3.7108 8.0500 120.0157 64.5682 37.0239 178.4095 60 E 4.0250 8.2689 119.3921 59.2472 29.3217 179.3535 61 R 4.0097 8.2512 118.9102 59.5028 30.1111 178.5673 62 I 3.7557 8.1256 119.9702 64.5064 37.1606 178.4778 63 L 4.0252 8.0284 119.8360 57.5908 41.2182 179.1822 64 F 4.2989 8.1280 119.8849 61.2501 39.3907 176.4330 65 L 3.8864 8.0189 116.0763 54.1945 41.3940 176.8052 66 E 3.4714 7.8063 117.4800 57.5299 27.0249 174.5731 67 G 3.9513 8.1373 108.4071 44.1572 0.0000 173.3893 68 L 4.5811 8.0319 118.9531 52.0957 42.7072 175.2087 69 P 4.3851 0.0000 0.0000 62.3802 31.8726 175.9673 70 N 4.6590 9.1416 122.2501 52.5658 38.1766 173.9173 71 L 4.6251 8.2839 124.2594 54.5003 42.2562 177.4170 72 Q 4.2027 8.6829 122.7244 57.4326 29.6392 175.7297 73 D 4.6394 8.0539 117.3531 52.6481 41.9045 175.3286 74 L 4.5066 8.2883 125.8586 52.7189 43.4757 176.4684 75 G 3.8501 8.4422 116.5928 45.3986 0.0000 170.4333 76 K 4.3684 8.2774 120.2278 54.5937 33.1845 176.7551 77 L 4.0906 8.3569 126.7089 54.6049 42.1477 177.2366 78 L 4.3559 8.5023 124.5317 53.5646 40.4502 175.0751 79 I 4.1985 7.9708 123.7905 59.7647 38.1318 176.6718 80 G 3.9911 8.7788 114.7453 44.9348 0.0000 172.7686 81 E 4.6056 8.6263 116.2500 56.2295 31.0950 175.6564 82 N 5.1924 7.6896 116.4155 50.4061 41.9552 175.0676 83 T 4.3345 8.5193 115.9760 67.1652 68.5820 176.3408 84 Q 3.9950 8.2725 120.8208 59.4978 28.9131 178.3900 85 E 4.0021 8.9167 119.6766 59.5969 29.5513 179.0932 86 M 3.9325 8.7281 119.0763 58.3050 31.8670 178.7746 87 L 4.1634 8.4530 119.3183 58.0947 41.8151 179.3849 88 Q 3.9759 8.1143 119.3548 59.4046 28.9276 178.2050 89 C 4.2053 8.5974 118.2222 62.9689 28.1263 175.7977 90 D 4.6743 8.4180 120.5322 57.2656 40.3390 178.5667 91 L 3.9713 8.3081 121.1544 58.2682 42.1203 178.8494 92 N 4.3519 8.5124 116.6869 56.2282 38.5034 177.1454 93 L 4.0063 8.1025 121.7534 58.3070 42.1876 178.9564 94 E 4.1297 8.5448 118.7294 59.3182 29.4254 179.3118 95 L 4.0609 8.2633 119.3831 57.3584 41.6435 179.4126 96 K 3.8962 8.1126 119.4266 59.5713 32.1530 178.6516 97 A 4.0436 8.0530 120.9803 55.5782 18.2757 179.7442 98 T 3.8223 8.0080 114.1817 66.5615 68.5083 176.8389 99 K 3.9419 7.9338 121.0511 59.7029 32.2321 178.6559 100 D 4.3994 8.2157 119.1571 57.2163 40.6132 178.7345 101 L 3.9990 8.2282 119.7689 57.9506 41.6858 179.7285 102 R 3.9269 7.9425 117.8529 59.4184 29.8760 179.0551 103 E 3.9920 8.2887 118.1426 59.2046 29.4240 179.1979 104 A 3.7068 8.3698 121.3327 55.1483 18.4256 179.7787 105 I 3.6424 8.0276 118.5526 64.4012 37.2776 178.5804 106 V 3.5762 7.8458 119.1429 66.4940 31.2711 177.6604 107 H 4.1400 7.9738 117.4829 59.2601 29.6667 176.8263 108 C 3.9396 8.1127 118.6489 62.8333 28.0037 175.5918 109 E 3.9063 8.2302 120.9308 59.5398 28.9833 179.0222 110 Q 4.0417 7.7419 115.7459 58.5527 28.7409 177.6599 111 V 3.8674 7.2038 111.9956 60.3391 31.7932 175.4463 112 H 2.8291 7.4527 114.0701 56.8598 26.8050 176.1476 113 D 4.5112 7.4550 120.8265 53.6316 38.9911 175.3351 114 Y 4.3772 7.7334 121.6757 59.7112 38.5321 177.1170 115 V 3.7438 7.8954 119.3304 65.8059 31.8440 177.9394 116 S 4.1619 8.4424 115.0194 61.4565 62.5953 176.5088 117 R 3.8973 7.9564 121.2689 59.6397 29.8409 178.0739 118 D 4.3437 8.1278 117.6751 57.1089 41.2205 177.8022 119 L 3.9429 7.8792 120.7118 58.2975 42.1143 179.0138 120 L 4.0049 7.9869 118.8057 57.6774 41.5092 179.4419 121 K 3.9628 8.4973 120.0112 59.4717 32.2029 178.5571 122 D 4.3578 8.1434 119.1878 57.5615 40.7080 178.7945 123 I 3.5123 7.7508 120.1842 64.2767 36.9607 178.3242 124 L 3.9425 7.9999 121.1904 57.9933 41.9668 178.3683 125 E 3.9175 8.6111 119.8268 59.5307 29.4856 178.9135 126 S 4.1611 7.9964 112.8306 61.3334 62.3911 175.9514 127 E 4.0970 8.5634 121.7022 59.5177 29.1539 179.1298 128 E 4.0057 8.6220 118.9597 59.4496 29.4762 179.3020 129 E 4.0189 8.2745 118.7178 59.6340 29.4240 178.8702 130 H 4.3889 8.3654 118.3390 59.3114 29.8612 177.3593 131 I 3.6993 8.1732 121.9932 64.3498 36.8913 177.6880 132 D 4.3462 8.3684 118.9814 57.6570 41.0477 177.8391 133 Y 4.0826 8.1643 119.7924 60.7059 38.8196 178.0759 134 L 3.7837 8.3239 120.1366 57.8201 41.7933 179.3265 135 E 3.9343 8.3950 118.7656 59.6385 29.3847 179.5204 136 T 3.8221 8.0057 115.8616 66.7484 68.4856 176.7178 137 Q 3.8221 7.6996 119.8602 58.8144 28.1372 178.7920 138 L 3.9091 7.8218 120.2396 57.6068 41.5495 179.8083 139 G 3.5868 8.1278 105.7177 47.6050 0.0000 175.8293 140 L 4.0095 7.6361 121.2201 57.5447 41.6581 179.3278 141 I 3.5580 7.2746 119.8243 64.4924 36.7335 178.5235 142 Q 3.9654 7.4378 117.0189 58.8982 28.6665 178.5186 143 K 4.1481 8.1647 118.6476 58.5598 32.1993 178.8239 144 V 4.3075 8.3265 110.1295 59.5881 33.4090 177.1367 145 G 4.1262 7.7896 103.7197 45.8636 0.0000 174.5631 146 L 4.0193 8.3519 120.8047 57.9501 42.1591 179.0954 147 E 3.9803 8.1096 118.0363 59.5494 29.5127 178.8876 148 N 4.3106 8.1543 115.9707 56.4124 38.4350 176.5355 149 Y 4.0343 7.9089 119.6913 60.8101 39.1157 177.9861 150 L 4.0719 8.4954 120.2334 57.7720 41.8557 179.1171 151 Q 3.9124 8.2501 119.6216 59.4383 28.7780 178.5278 152 S 4.2620 7.9847 113.8936 60.3513 63.0379 174.5656 153 H 4.6168 7.8323 118.6896 55.6624 29.2751 176.2406 154 M 4.2511 7.9027 120.8985 57.9573 31.8939 176.0217 155 H 4.9874 7.6584 114.3102 53.9122 30.2638 175.0870 156 E 4.1115 8.9591 122.5337 57.0218 29.2631 176.9550 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 3 G 8.30 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 4 D 8.59 4.14 0.00 2.85 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 5 K 9.57 3.85 0.00 1.84 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 K 8.12 4.01 0.00 1.97 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 7 V 8.99 3.64 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 1.17 0.00 0.00 0.97 0.00 0.00 8 I 7.95 3.71 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.58 0.90 0.00 0.00 9 Q 8.06 3.95 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 10 H 8.61 4.14 0.00 3.38 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.33 4.01 0.00 1.83 1.74 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.47 4.37 0.00 2.96 2.85 0.00 0.00 6.67 7.34 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 13 K 8.19 3.95 0.00 1.79 1.97 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.02 3.71 2.01 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 1.71 0.72 0.92 0.00 0.00 15 L 8.35 4.02 0.00 1.81 1.92 0.92 1.12 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 16 G 8.00 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 0.00 0.00 0.00 17 N 8.06 4.38 0.00 2.95 2.88 0.00 0.00 7.05 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 18 E 8.42 3.95 0.00 2.13 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 2.56 2.52 0.00 19 L 8.21 4.03 0.00 1.63 1.67 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.57 3.64 1.95 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 1.41 0.79 0.87 0.00 0.00 21 A 7.69 3.26 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.71 3.60 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.86 0.00 0.00 23 N 7.73 4.35 0.00 2.74 2.83 0.00 0.00 6.75 7.82 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 24 Q 8.15 3.83 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 25 Y 8.08 4.78 0.00 3.09 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 26 F 8.53 3.97 0.00 3.29 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 27 L 8.28 3.99 0.00 1.82 1.61 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.20 3.81 0.00 3.49 2.97 0.00 5.71 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 29 S 8.52 4.35 0.00 3.99 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 30 R 8.00 3.81 0.00 2.06 1.90 0.00 2.95 0.00 0.00 2.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 31 M 8.01 3.45 0.00 0.82 1.61 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.18 0.00 32 W 7.86 4.43 0.00 3.69 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 33 N 8.48 4.37 0.00 2.87 2.85 0.00 0.00 6.64 8.34 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 34 D 8.37 4.38 0.00 2.52 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 35 W 8.03 4.89 0.00 3.70 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 36 G 8.39 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 37 L 7.86 4.85 0.00 1.95 1.61 1.29 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 38 K 8.29 4.02 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.62 7.81 39 R 8.01 3.84 0.00 1.97 1.89 0.00 3.11 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 40 L 7.76 3.77 0.00 1.23 0.13 0.34 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.21 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 42 A 8.30 3.96 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 43 H 8.35 3.95 0.00 3.31 3.38 0.00 5.79 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 44 E 8.69 4.00 0.00 2.57 2.19 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 2.78 2.64 0.00 45 Y 8.32 4.00 0.00 3.01 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 46 H 8.16 4.06 0.00 3.19 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.91 3.84 0.00 1.97 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 0.00 2.24 2.17 0.00 48 S 8.14 4.27 0.00 4.09 4.06 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 49 I 7.50 3.58 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.23 0.85 0.00 0.00 50 D 8.17 4.27 0.00 2.79 2.62 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 51 E 8.16 4.24 0.00 2.16 2.12 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 2.80 2.49 0.00 52 M 8.28 4.03 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 53 K 8.02 4.03 0.00 1.89 1.81 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 54 H 8.16 4.27 0.00 3.50 3.34 0.00 5.65 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 55 A 8.30 4.03 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 56 D 8.02 4.25 0.00 2.93 2.85 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 57 K 7.97 4.00 0.00 2.04 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.61 7.81 58 L 8.06 4.01 0.00 1.85 1.73 0.97 0.56 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 59 I 8.05 3.71 2.09 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 1.52 0.64 0.92 0.00 0.00 60 E 8.27 4.02 0.00 2.19 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 2.51 0.00 61 R 8.25 4.01 0.00 2.07 2.12 0.00 3.34 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.13 3.76 2.03 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 1.54 0.65 0.94 0.00 0.00 63 L 8.03 4.03 0.00 2.08 1.77 0.93 1.08 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 64 F 8.13 4.30 0.00 2.99 3.31 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 65 L 8.02 3.89 0.00 1.85 1.60 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.81 3.47 0.00 2.06 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 2.17 2.26 0.00 67 G 8.14 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 68 L 8.03 4.58 0.00 1.62 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.39 0.00 2.04 1.98 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.14 4.66 0.00 2.62 2.84 0.00 0.00 7.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.28 4.63 0.00 1.62 1.62 0.91 0.93 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 72 Q 8.68 4.20 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 73 D 8.05 4.64 0.00 2.68 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 74 L 8.29 4.51 0.00 1.50 1.52 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.44 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 76 K 8.28 4.37 0.00 1.69 1.71 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.50 7.81 77 L 8.36 4.09 0.00 1.63 1.54 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.50 4.36 0.00 1.69 1.68 1.02 0.64 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 79 I 7.97 4.20 1.88 0.00 0.00 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 1.33 0.75 0.91 0.00 0.00 80 G 8.78 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.63 4.61 0.00 2.14 2.13 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 2.51 2.30 0.00 82 N 7.69 5.19 0.00 2.89 2.89 0.00 0.00 6.28 7.22 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 83 T 8.52 4.33 4.50 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 1.58 0.00 0.00 84 Q 8.27 4.00 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 85 E 8.92 4.00 0.00 2.30 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 2.35 2.53 0.00 86 M 8.73 3.93 0.00 1.19 2.07 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 1.99 0.00 87 L 8.45 4.16 0.00 1.90 1.75 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.11 3.98 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 89 C 8.60 4.21 0.00 3.30 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 90 D 8.42 4.67 0.00 2.99 2.79 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 91 L 8.31 3.97 0.00 1.85 1.81 0.94 0.95 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 92 N 8.51 4.35 0.00 2.80 2.88 0.00 0.00 6.68 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 93 L 8.10 4.01 0.00 1.90 1.94 0.91 0.76 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 94 E 8.54 4.13 0.00 2.20 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 2.68 2.51 0.00 95 L 8.26 4.06 0.00 1.84 1.74 0.94 0.44 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 96 K 8.11 3.90 0.00 1.91 2.03 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.05 4.04 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 98 T 8.01 3.82 4.58 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 1.29 0.00 0.00 99 K 7.93 3.94 0.00 1.85 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.56 7.81 100 D 8.22 4.40 0.00 2.91 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 0.00 101 L 8.23 4.00 0.00 1.90 1.73 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.94 3.93 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 103 E 8.29 3.99 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 104 A 8.37 3.71 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 0.00 105 I 8.03 3.64 2.00 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 1.42 0.68 0.93 0.00 0.00 106 V 7.85 3.58 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 1.00 0.00 0.00 0.94 0.00 0.00 107 H 7.97 4.14 0.00 3.17 3.25 0.00 5.85 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 0.00 108 C 8.11 3.94 0.00 3.13 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 0.00 109 E 8.23 3.91 0.00 2.22 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 0.00 2.38 2.46 0.00 110 Q 7.74 4.04 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 111 V 7.20 3.87 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 0.63 0.00 0.00 0.85 0.00 0.00 112 H 7.45 2.83 0.00 3.11 3.10 0.00 5.66 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.46 4.51 0.00 2.61 2.46 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 0.00 114 Y 7.73 4.38 0.00 3.08 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 0.00 115 V 7.90 3.74 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 1.08 0.00 0.00 1.00 0.00 0.00 116 S 8.44 4.16 0.00 4.09 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 0.00 117 R 7.96 3.90 0.00 1.95 2.22 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 118 D 8.13 4.34 0.00 3.04 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 0.00 119 L 7.88 3.94 0.00 1.80 1.89 0.95 0.65 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 0.00 120 L 7.99 4.00 0.00 1.92 1.71 0.95 0.61 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 0.00 121 K 8.50 3.96 0.00 1.92 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 122 D 8.14 4.36 0.00 2.91 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 0.00 123 I 7.75 3.51 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.77 0.00 0.00 124 L 8.00 3.94 0.00 1.85 1.91 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.61 3.92 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 126 S 8.00 4.16 0.00 4.03 4.10 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 0.00 127 E 8.56 4.10 0.00 2.05 2.26 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 2.61 2.54 0.00 128 E 8.62 4.01 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 129 E 8.27 4.02 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 2.37 2.51 0.00 130 H 8.37 4.39 0.00 3.27 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.17 3.70 2.06 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 1.44 0.62 0.94 0.00 0.00 132 D 8.37 4.35 0.00 2.95 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 0.00 133 Y 8.16 4.08 0.00 3.18 3.25 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 0.00 134 L 8.32 3.78 0.00 2.04 1.67 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.40 3.93 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 2.54 0.00 136 T 8.01 3.82 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 1.18 0.00 0.00 137 Q 7.70 3.82 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.31 1.87 0.00 138 L 7.82 3.91 0.00 1.80 1.62 0.83 1.04 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 0.00 139 G 8.13 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 0.00 140 L 7.64 4.01 0.00 1.83 1.85 1.02 0.84 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 0.00 141 I 7.27 3.56 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.11 0.81 0.00 0.00 142 Q 7.44 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 8.16 4.15 0.00 1.71 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 144 V 8.33 4.31 2.12 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 0.79 0.00 0.00 1.11 0.00 0.00 145 G 7.79 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 0.00 146 L 8.35 4.02 0.00 1.77 1.67 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.11 3.98 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 148 N 8.15 4.31 0.00 2.95 2.89 0.00 0.00 6.71 7.48 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 0.00 149 Y 7.91 4.03 0.00 3.02 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 0.00 150 L 8.50 4.07 0.00 1.72 1.73 0.96 0.94 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 0.00 151 Q 8.25 3.91 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 7.98 4.26 0.00 3.89 3.67 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 0.00 153 H 7.83 4.62 0.00 2.92 3.05 0.00 5.81 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 0.00 154 M 7.90 4.25 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.43 0.00 155 H 7.66 4.99 0.00 3.09 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.96 4.11 0.00 1.94 1.88 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 2.31 2.32 0.00