NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4355 8.3349 115.4128 57.8852 64.6149 173.8832 2 K 4.1216 8.0844 119.4600 57.3574 32.9021 175.5179 3 T 4.3091 8.3988 117.1498 64.9372 71.3580 175.3799 4 N 4.4112 7.9375 120.3637 53.0484 39.8566 173.8032 5 P 4.3338 0.0000 0.0000 65.3148 31.5320 179.0119 6 R 3.8674 8.7882 117.6940 59.2063 30.0594 178.5020 7 L 3.9563 8.1075 119.5567 58.2238 42.0612 178.6304 8 S 4.0710 8.0763 112.8753 61.7763 62.2511 176.4994 9 S 4.1060 8.1906 117.6316 61.2859 62.5650 176.2764 10 L 3.8735 8.3894 123.4037 58.4463 41.8267 179.1038 11 I 3.7191 7.9281 119.3588 64.3844 36.9764 178.3372 12 A 4.0056 7.8761 121.3414 55.1894 18.2394 179.4225 13 D 4.2530 8.3791 117.7512 57.5662 40.7977 178.9157 14 L 3.8953 8.3872 119.7304 57.6606 41.5223 179.9359 15 K 3.9631 7.8448 117.9314 59.6731 32.0669 179.1030 16 S 4.0816 8.2355 113.1703 61.6259 62.0617 176.3372 17 A 4.0736 8.0916 122.9671 54.9733 18.1192 179.4533 18 A 4.2274 7.8139 118.0288 55.2821 18.4529 179.9083 19 R 4.0699 7.9966 116.0433 60.1406 30.4415 178.7343 20 S 4.1708 7.8733 114.1350 61.0702 63.3708 176.0264 21 S 4.4108 8.2540 116.6465 58.4946 63.6012 175.3284 22 G 3.8941 8.5475 108.4545 45.7364 0.0000 174.3623 23 G 3.7798 7.3398 107.7197 45.3557 0.0000 173.5386 24 A 4.5503 8.0305 121.2737 52.0230 21.6253 179.1070 25 V 3.4847 7.4313 109.0803 64.2197 31.4520 178.4676 26 W 4.9155 7.6110 118.3660 60.0956 29.0239 178.7133 27 G 3.6508 8.1885 105.0655 47.5616 0.0000 175.2139 28 D 4.3227 8.0518 120.4868 57.3388 41.3022 178.5464 29 V 3.6712 8.6603 118.9211 65.6406 31.4926 177.8821 30 A 4.0088 8.2162 120.8909 55.2978 18.0549 179.4843 31 E 4.1043 7.9055 115.6931 59.5951 29.9317 179.3320 32 R 4.0617 7.9312 118.3819 59.2119 29.9019 178.5430 33 L 3.8081 7.7858 118.2542 57.4634 41.6737 178.9154 34 E 4.1570 8.0121 117.6548 57.8022 29.5718 177.6261 35 K 4.3188 7.1052 117.5286 54.6528 33.1308 174.7781 36 P 4.1659 0.0000 0.0000 63.0989 31.9671 177.6655 37 R 3.4466 8.7703 121.1887 59.2973 30.1883 179.1239 38 R 3.9607 7.9134 113.1855 58.9830 29.4449 177.5679 39 T 4.1539 7.8390 107.2838 62.8842 69.3443 174.5508 40 H 4.3539 7.7703 119.4151 55.7723 29.5795 174.3393 41 A 4.4086 8.2118 122.0987 51.8511 20.0880 176.8567 42 E 4.9710 8.6077 119.5621 54.5501 30.8107 174.1454 43 V 4.3689 8.8702 124.0926 61.2086 34.1115 174.4930 44 N 5.6248 8.3883 123.6030 51.1304 40.9102 176.0130 45 L 4.1347 8.4765 120.2328 58.0620 41.3464 180.1717 46 G 3.6409 8.1314 104.4578 47.5687 0.0000 175.0059 47 R 4.1583 7.8466 120.2703 58.9024 30.3348 178.4489 48 I 3.7504 7.6891 119.1573 64.5096 36.9919 177.7504 49 E 3.9374 8.2278 119.0329 59.3307 29.4271 178.5061 50 R 3.9079 7.4492 117.5788 58.0527 30.1678 176.2551 51 Y 4.7448 7.6068 111.9665 57.2318 39.6139 174.9905 52 A 4.6686 7.9754 123.5567 51.0645 20.4864 176.7876 53 Q 4.6065 8.0791 115.8420 54.1455 31.6419 174.5536 54 E 4.0130 8.6970 119.8395 58.2980 29.9621 177.1097 55 D 4.4173 8.8602 119.3266 54.6132 38.5857 173.3200 56 E 4.7223 7.7368 120.1883 54.2584 31.6318 175.7026 57 T 4.2067 8.4125 124.9715 63.8461 69.7418 173.9616 58 V 4.3083 8.9085 127.7726 62.5191 33.2340 174.7400 59 V 4.6753 9.3315 129.1082 61.3999 33.3059 174.7085 60 V 4.3733 9.0775 130.5534 59.1228 32.4092 175.4513 61 P 4.5629 0.0000 0.0000 60.3887 29.4687 175.5502 62 G 4.1369 7.0281 118.1362 46.8880 0.0000 173.9163 63 K 4.9308 9.0427 126.2865 54.2137 35.9420 173.8779 64 V 4.7534 8.2632 125.3978 61.3233 33.7099 174.5253 65 L 5.0695 9.8585 127.5688 52.3999 45.1177 176.3296 66 G 4.1909 8.5271 107.3937 47.1277 0.0000 173.6302 67 S 4.5630 8.1711 116.9954 58.5822 64.6567 175.3929 68 G 4.1711 9.0807 109.7687 44.7746 0.0000 172.1274 69 V 4.3327 7.8950 117.1356 60.5992 33.6799 174.2642 70 L 4.8383 8.5127 128.1216 53.5343 43.8650 175.1676 71 Q 4.4624 10.1112 125.9133 57.0750 30.6073 176.8769 72 K 3.8677 8.2756 115.3624 57.3847 32.6224 176.7527 73 D 5.4101 8.4976 122.7928 52.3987 40.1280 175.0163 74 V 4.6708 7.8159 115.4867 59.2334 36.2120 174.3022 75 T 4.7862 8.3657 119.0783 62.4098 70.2363 173.7395 76 V 4.8382 8.8450 127.2924 61.0565 34.1694 174.2161 77 A 5.9400 9.9521 129.4331 49.5909 21.4030 174.7856 78 A 5.0013 8.3608 122.4074 49.1385 22.8604 176.8060 79 V 3.5322 8.2806 118.6630 66.1812 31.9754 175.6442 80 D 4.6675 7.2563 116.8608 53.4169 44.5445 173.9871 81 F 5.4294 8.7479 120.3868 55.2918 42.8151 175.1642 82 S 4.3460 9.0118 117.3464 58.1074 63.8627 175.6183 83 G 3.6665 8.8038 106.9935 48.2600 0.0000 176.1376 84 T 3.9636 7.9203 117.3356 66.1188 68.5057 176.6618 85 A 4.0039 8.1334 122.8288 55.3295 18.6469 179.3747 86 E 3.6484 8.1927 117.6631 59.4037 29.3413 179.3156 87 T 3.8352 7.3476 115.3341 66.5676 68.6886 176.5692 88 K 4.3872 8.1478 121.9267 58.9026 31.9605 179.5522 89 I 3.7470 7.9336 120.0454 64.5466 36.9616 178.1201 90 D 4.6273 7.5419 118.2403 55.9652 40.3643 178.3103 91 Q 4.1815 7.8930 119.2701 57.7862 28.8192 177.5795 92 V 4.5062 7.7835 110.3593 60.9757 34.8037 174.4384 93 G 4.2414 8.5904 111.6629 44.4413 0.0000 173.4948 94 E 5.0195 9.4818 125.9434 54.5296 33.2412 173.3538 95 A 4.6044 9.1712 129.7267 50.8321 20.1601 176.6390 96 V 4.6057 9.0441 122.2583 60.8536 35.6172 175.0943 97 S 4.8250 8.6877 120.9098 57.6953 64.0516 174.9838 98 L 3.8286 8.2736 123.8905 58.3505 41.8002 179.4729 99 E 3.8242 8.0176 118.2255 59.1287 29.3509 179.0164 100 Q 4.0395 7.8515 117.6398 58.5322 28.8489 178.0360 101 A 4.0250 8.0988 122.0530 55.6209 18.2290 179.5771 102 I 3.0494 7.1285 116.6035 64.3573 37.0901 177.7964 103 E 4.1463 7.3359 117.8371 58.8587 29.7881 177.7275 104 N 4.6909 8.3694 114.4101 54.2174 40.3825 175.5072 105 N 5.1131 8.0463 118.4484 52.2016 40.4821 172.9952 106 P 4.7121 0.0000 0.0000 65.1141 32.3230 177.9873 107 E 4.1352 8.5753 117.6991 56.1885 30.3541 175.8871 108 G 3.5513 7.9305 108.0132 46.3499 0.0000 172.7572 109 S 4.5628 8.1180 111.0078 57.2876 66.6383 174.2996 110 H 3.9897 8.3432 116.4743 57.1240 25.9002 174.4369 111 V 4.8995 7.1702 116.1638 59.7988 35.0912 176.6426 112 R 4.5634 9.0527 123.2943 54.5435 32.8650 174.2435 113 V 4.5182 8.4144 126.5229 62.2255 32.1698 174.9397 114 I 4.7735 8.5271 128.3428 59.3717 40.7352 176.0890 115 R 4.1785 8.3857 121.6948 56.4504 29.4892 174.7874 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 S 8.33 4.44 0.00 3.99 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 2 K 8.08 4.12 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.40 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 N 7.94 4.41 0.00 2.75 2.70 0.00 0.00 7.23 7.71 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 5 P 0.00 4.33 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.79 3.87 0.00 1.89 1.96 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 7 L 8.11 3.96 0.00 1.75 1.68 0.92 0.84 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 8 S 8.08 4.07 0.00 4.10 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 9 S 8.19 4.11 0.00 4.02 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 10 L 8.39 3.87 0.00 1.66 1.84 0.87 1.14 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 11 I 7.93 3.72 2.04 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 1.45 0.97 0.92 0.00 0.00 12 A 7.88 4.01 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 13 D 8.38 4.25 0.00 2.76 2.64 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 14 L 8.39 3.90 0.00 1.80 1.95 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.84 3.96 0.00 2.01 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 16 S 8.24 4.08 0.00 3.88 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 17 A 8.09 4.07 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 18 A 7.81 4.23 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 19 R 8.00 4.07 0.00 1.83 2.01 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 20 S 7.87 4.17 0.00 3.93 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 21 S 8.25 4.41 0.00 4.29 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 22 G 8.55 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 23 G 7.34 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.03 4.55 1.18 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 25 V 7.43 3.48 1.59 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 0.57 0.00 0.00 -0.32 0.00 0.00 26 W 7.61 4.92 0.00 3.31 3.27 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 27 G 8.19 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 28 D 8.05 4.32 0.00 3.02 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 29 V 8.66 3.67 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 1.02 0.00 0.00 1.16 0.00 0.00 30 A 8.22 4.01 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 31 E 7.91 4.10 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 2.46 0.00 32 R 7.93 4.06 0.00 1.91 1.90 0.00 3.32 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 33 L 7.79 3.81 0.00 1.80 1.69 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.01 4.16 0.00 2.15 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 2.52 0.00 35 K 7.11 4.32 0.00 2.05 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.67 7.81 36 P 0.00 4.17 0.00 2.15 1.99 0.00 3.63 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 2.12 2.14 0.00 37 R 8.77 3.45 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 38 R 7.91 3.96 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.84 4.15 4.27 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 1.22 0.00 0.00 40 H 7.77 4.35 0.00 3.30 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.21 4.41 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.61 4.97 0.00 1.80 1.85 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 2.20 2.29 0.00 43 V 8.87 4.37 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 1.00 0.00 0.00 0.94 0.00 0.00 44 N 8.39 5.62 0.00 2.70 2.98 0.00 0.00 7.62 6.74 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 45 L 8.48 4.13 0.00 1.80 1.74 0.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.13 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 47 R 7.85 4.16 0.00 1.93 1.99 0.00 3.24 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 48 I 7.69 3.75 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 0.97 0.00 0.00 49 E 8.23 3.94 0.00 1.95 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 0.00 2.43 2.32 0.00 50 R 7.45 3.91 0.00 1.62 1.44 0.00 2.45 0.00 0.00 2.89 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 51 Y 7.61 4.74 0.00 2.97 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 52 A 7.98 4.67 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 53 Q 8.08 4.61 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 54 E 8.70 4.01 0.00 1.99 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 2.58 2.36 0.00 55 D 8.86 4.42 0.00 2.84 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 56 E 7.74 4.72 0.00 1.91 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 0.00 2.22 2.27 0.00 57 T 8.41 4.21 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 1.36 0.00 0.00 58 V 8.91 4.31 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.33 4.68 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 1.07 0.00 0.00 1.11 0.00 0.00 60 V 9.08 4.37 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 0.97 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.56 0.00 2.12 2.24 0.00 3.98 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 7.03 4.14 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 0.00 63 K 9.04 4.93 0.00 1.68 1.56 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.26 4.75 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 1.09 0.00 0.00 0.81 0.00 0.00 65 L 9.86 5.07 0.00 1.89 1.52 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.53 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 67 S 8.17 4.56 0.00 3.97 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 68 G 9.08 4.17 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 0.00 69 V 7.89 4.33 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.51 4.84 0.00 1.60 1.52 1.03 0.75 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 71 Q 10.11 4.46 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.28 3.87 0.00 1.75 1.78 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.82 7.81 73 D 8.50 5.41 0.00 2.85 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.82 4.67 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 0.84 0.00 0.00 0.97 0.00 0.00 75 T 8.37 4.79 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 1.27 0.00 0.00 76 V 8.85 4.84 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 1.18 0.00 0.00 1.02 0.00 0.00 77 A 9.95 5.94 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 78 A 8.36 5.00 0.47 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 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.28 3.53 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.26 4.67 0.00 2.77 2.37 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 81 F 8.75 5.43 0.00 2.82 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 82 S 9.01 4.35 0.00 3.95 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 83 G 8.80 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 0.00 0.00 0.00 84 T 7.92 3.96 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 1.23 0.00 0.00 85 A 8.13 4.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.19 3.65 0.00 1.94 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 2.18 2.05 0.00 87 T 7.35 3.84 4.40 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 1.20 0.00 0.00 88 K 8.15 4.39 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 89 I 7.93 3.75 1.84 0.00 0.00 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 1.56 1.04 0.88 0.00 0.00 90 D 7.54 4.63 0.00 2.63 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 91 Q 7.89 4.18 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 92 V 7.78 4.51 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 0.78 0.00 0.00 1.02 0.00 0.00 93 G 8.59 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 94 E 9.48 5.02 0.00 2.02 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 2.16 2.23 0.00 95 A 9.17 4.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.04 4.61 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 1.03 0.00 0.00 0.94 0.00 0.00 97 S 8.69 4.83 0.00 4.10 4.04 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 0.00 0.00 0.00 98 L 8.27 3.83 0.00 1.81 1.58 0.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.02 3.82 0.00 2.05 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 2.35 2.37 0.00 100 Q 7.85 4.04 0.00 2.25 2.14 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 2.36 2.36 0.00 101 A 8.10 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 0.00 102 I 7.13 3.05 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.03 0.66 0.00 0.00 103 E 7.34 4.15 0.00 2.00 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 2.30 2.33 0.00 104 N 8.37 4.69 0.00 2.77 2.89 0.00 0.00 6.79 7.93 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 0.00 105 N 8.05 5.11 0.00 2.90 2.87 0.00 0.00 6.81 7.74 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 0.00 106 P 0.00 4.71 0.00 2.32 2.33 0.00 3.90 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 107 E 8.58 4.14 0.00 2.13 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 2.41 2.39 0.00 108 G 7.93 3.55 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 0.00 109 S 8.12 4.56 0.00 3.99 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 0.00 110 H 8.34 3.99 0.00 3.31 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.17 4.90 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 0.47 0.00 0.00 0.87 0.00 0.00 112 R 9.05 4.56 0.00 2.15 1.80 0.00 3.13 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.41 4.52 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 0.83 0.00 0.00 0.89 0.00 0.00 114 I 8.53 4.77 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.99 0.00 0.00 115 R 8.39 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00