NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3624 8.3349 115.3991 58.4038 64.9861 173.6970 2 H 4.3182 7.7061 118.7549 54.8865 29.1789 173.3365 3 G 4.1282 8.9153 115.5926 45.6479 0.0000 173.0453 4 S 4.2014 7.5759 113.5438 58.1999 62.4285 172.9452 5 H 5.0463 8.2352 122.0249 53.7130 32.4335 173.4429 6 E 4.6685 8.4691 120.1818 55.4418 31.3464 175.7908 7 T 4.3813 8.6609 111.0096 60.8410 71.2396 175.5541 8 D 4.4176 8.5499 120.8901 57.7103 40.7850 178.8092 9 E 4.0512 8.3062 118.3639 59.7502 29.4429 179.2426 10 E 3.9937 8.3479 118.3442 59.2312 29.3575 179.1626 11 F 4.3811 8.3835 122.0960 60.9776 39.4445 176.8593 12 D 4.5102 8.8214 118.6293 57.3219 40.6583 178.6460 13 A 3.9875 8.2895 121.2362 55.4044 18.5437 179.3710 14 R 3.7610 8.1653 117.4118 59.5073 29.7842 178.4823 15 W 4.0668 7.6062 118.1816 59.2031 29.2339 178.6641 16 V 3.8341 8.2655 118.5841 66.6177 30.7217 178.2139 17 T 3.9049 8.2951 114.4319 66.6061 68.4054 175.7277 18 Y 4.0042 7.6809 120.9000 60.8334 38.6766 178.2217 19 F 4.5390 8.5023 116.6403 59.6259 39.1548 176.4945 20 N 4.8278 7.7172 114.6022 52.3027 38.9560 174.7657 21 K 3.7402 7.3304 123.2658 56.0054 32.5052 175.0812 22 P 4.2702 0.0000 0.0000 65.7671 31.0976 176.6425 23 D 4.7928 7.7772 116.2259 52.8328 39.8573 176.0070 24 I 3.9597 7.3730 120.1570 61.7653 38.6417 175.4832 25 D 4.9307 8.5430 126.5963 51.6236 42.8897 177.3311 26 A 4.0989 8.4682 120.3082 54.8579 18.1401 179.4455 27 W 4.1388 8.3019 126.5020 61.0158 30.9098 178.0328 28 E 4.2854 9.0311 118.3561 59.0401 28.9041 179.2578 29 L 4.2543 8.0983 120.7154 58.3439 42.2656 179.2270 30 R 3.8910 8.2137 118.1514 59.0657 29.9080 178.6992 31 K 3.5920 8.1595 119.8681 59.3869 32.0224 178.5017 32 G 3.8943 8.3906 105.7485 48.4414 0.0000 175.3103 33 M 4.0187 8.1940 121.2254 58.0710 31.8622 178.6915 34 N 4.2547 8.2922 115.3541 56.3454 38.8361 177.4271 35 T 3.8610 7.9510 117.4650 66.3576 68.6444 176.6733 36 L 3.2340 7.5760 122.4388 57.9280 41.6411 178.7911 37 V 3.7516 7.3224 116.2773 64.3407 31.6055 177.0880 38 G 3.8032 7.5657 103.5013 44.9003 0.0000 173.3533 39 Y 4.8296 6.6908 118.7984 57.3651 39.2792 175.8441 40 D 4.6600 8.1616 122.5074 50.7402 39.6809 175.1449 41 L 4.4844 7.0592 120.9299 54.9218 42.4343 174.5576 42 V 4.0100 8.3357 120.6509 61.1495 32.2980 174.2625 43 P 4.4770 0.0000 0.0000 62.4276 31.9875 176.1064 44 E 4.2392 8.7421 120.6865 55.9894 30.3443 176.5302 45 P 4.2403 0.0000 0.0000 65.5850 31.2371 179.1873 46 K 4.3161 8.1151 116.9301 59.5664 32.5589 179.0306 47 I 4.1171 8.0117 121.6379 64.1024 37.3283 178.1586 48 I 3.6442 7.5930 120.1826 64.1514 36.8305 177.6391 49 D 4.2171 8.6683 119.3066 57.1440 41.0550 177.7405 50 A 4.0016 7.7304 119.5186 55.6307 18.5103 179.5847 51 A 3.5635 7.6462 118.3127 54.9814 18.0405 179.8624 52 L 3.9000 7.6356 116.8643 57.7591 41.8357 179.8280 53 R 4.0294 8.2645 117.9879 59.3505 30.1738 178.5651 54 A 3.9985 8.1700 120.6769 55.6725 18.1027 179.4669 55 C 4.0524 7.9902 114.6456 62.9902 28.2664 176.0100 56 R 3.9124 8.0492 120.2954 59.7467 29.3959 178.5886 57 R 4.0043 8.0367 115.5112 59.1006 30.1936 177.3094 58 L 4.3784 8.0008 115.1826 53.7064 42.1350 176.6146 59 N 4.1097 8.1999 115.6451 54.7244 36.2846 175.6445 60 D 4.7574 8.3376 117.2589 51.8331 42.8841 175.7093 61 F 4.1733 8.8681 128.1164 60.9817 39.5973 176.2218 62 A 3.8116 8.1873 119.9757 55.6269 18.0288 179.6857 63 S 3.9699 8.2269 112.7383 61.4945 62.3861 176.8100 64 A 3.8532 7.3013 123.2113 54.9818 18.1308 179.9395 65 V 3.3470 7.2430 116.6491 66.1285 31.6569 178.2756 66 R 4.5073 7.9331 119.9471 58.9731 29.8149 178.4832 67 I 3.6636 7.9855 120.0567 64.3209 36.6500 178.3996 68 L 4.1256 7.5271 118.5798 57.5059 41.4716 179.4153 69 E 3.9024 8.0069 118.9555 59.3633 29.3665 179.6940 70 V 3.5731 7.7468 119.1800 64.6612 31.0932 178.5014 71 V 3.5402 7.3647 117.5777 65.6101 31.8423 177.5328 72 K 3.7532 7.4894 118.7615 59.3965 31.8132 178.0149 73 D 4.2314 7.9105 118.1265 57.5072 40.9211 178.4272 74 K 3.8588 8.1450 117.5178 59.3993 32.2450 178.8183 75 A 4.1708 8.0588 120.3580 51.9131 18.3777 178.9749 76 G 3.6779 8.5333 105.9076 46.1658 0.0000 175.1280 77 P 4.3330 0.0000 0.0000 64.6366 31.6800 176.8131 78 H 4.7910 8.0037 118.9995 54.1365 26.7779 175.8302 79 K 4.1015 8.1887 121.4081 59.1289 32.3249 178.0981 80 E 4.2811 8.1157 119.6365 58.7044 29.6400 178.3750 81 I 3.8049 7.6517 119.6767 64.6792 37.1911 177.2378 82 Y 4.4189 8.2347 119.5697 60.8149 38.4662 176.2482 83 P 4.0240 0.0000 0.0000 65.7958 31.4449 177.9680 84 Y 4.0264 7.7818 117.2474 60.6021 38.6727 178.1337 85 V 3.3391 8.0073 119.3193 66.2219 31.4494 178.0387 86 I 3.4898 7.7613 118.2467 64.0861 37.0582 178.0633 87 Q 3.9726 7.9034 120.5334 59.2658 28.8255 178.0401 88 E 3.9998 7.6716 117.0416 57.9493 29.6532 178.0630 89 L 4.4262 7.2769 118.0210 54.3794 42.2261 178.1337 90 R 3.8532 7.6432 119.7022 59.1354 30.0270 176.3136 91 P 4.2136 0.0000 0.0000 66.4554 31.2626 178.7235 92 T 3.9221 7.7994 113.4657 66.4493 68.4338 176.6768 93 L 3.9697 8.1557 121.2041 57.8213 41.5409 179.2855 94 N 4.2996 8.3960 116.5679 56.2647 38.3164 176.8114 95 E 3.9083 8.2037 119.4940 59.5336 29.8867 178.5402 96 L 4.3193 8.0945 115.8890 54.5122 42.0452 177.1193 97 G 3.8563 7.6471 106.8261 46.5281 0.0000 173.8007 98 I 4.3701 7.8280 120.9903 60.4411 37.7810 176.2414 99 S 4.8177 8.8965 121.9928 57.7334 64.2494 174.8664 100 T 4.2206 8.5609 115.0128 60.8864 70.7277 174.0770 101 P 4.2732 0.0000 0.0000 66.0719 31.3315 178.9070 102 E 4.1626 8.1811 116.8426 59.3830 29.2811 178.9150 103 E 4.0176 7.9069 117.6297 59.4350 29.7129 178.9709 104 L 4.3135 7.9367 116.2183 55.1329 41.8471 178.0527 105 G 3.9227 8.0688 107.7637 45.9949 0.0000 174.9593 106 L 4.1652 8.1305 118.2903 55.4663 41.6974 177.1778 107 D 4.7132 7.9501 117.9446 52.8566 39.7654 175.9397 108 K 4.5710 7.3653 118.8818 55.1983 34.8694 176.6101 109 V 3.8049 8.4165 115.1094 61.6455 31.5487 175.9522 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 4.36 0.00 3.83 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 2 H 7.71 4.32 0.00 3.27 3.29 0.00 5.75 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 3 G 8.92 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 4 S 7.58 4.20 0.00 3.95 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 5 H 8.24 5.05 0.00 3.11 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.47 4.67 0.00 2.30 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 2.42 2.46 0.00 7 T 8.66 4.38 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 1.30 0.00 0.00 8 D 8.55 4.42 0.00 2.75 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 9 E 8.31 4.05 0.00 2.10 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 2.44 2.53 0.00 10 E 8.35 3.99 0.00 2.24 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 2.36 0.00 11 F 8.38 4.38 0.00 3.18 3.38 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 12 D 8.82 4.51 0.00 3.01 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 13 A 8.29 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.17 3.76 0.00 1.79 1.84 0.00 2.81 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.37 0.00 15 W 7.61 4.07 0.00 3.41 3.26 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 16 V 8.27 3.83 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 1.12 0.00 0.00 1.21 0.00 0.00 17 T 8.30 3.90 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 1.18 0.00 0.00 18 Y 7.68 4.00 0.00 2.78 2.88 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 19 F 8.50 4.54 0.00 3.25 3.05 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 20 N 7.72 4.83 0.00 2.77 2.89 0.00 0.00 6.88 8.77 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 21 K 7.33 3.74 0.00 1.61 1.56 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.53 7.81 22 P 0.00 4.27 0.00 2.21 2.18 0.00 3.78 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 1.98 1.96 0.00 23 D 7.78 4.79 0.00 2.79 2.78 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 24 I 7.37 3.96 1.90 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 1.39 0.93 1.01 0.00 0.00 25 D 8.54 4.93 0.00 2.99 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 26 A 8.47 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.30 4.14 0.00 3.40 3.24 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 28 E 9.03 4.29 0.00 2.28 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 2.78 2.88 0.00 29 L 8.10 4.25 0.00 2.03 1.90 0.95 0.88 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 30 R 8.21 3.89 0.00 2.04 1.83 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 31 K 8.16 3.59 0.00 0.85 1.75 0.00 1.23 0.00 0.00 0.94 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.36 7.81 32 G 8.39 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 33 M 8.19 4.02 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 34 N 8.29 4.25 0.00 2.62 2.78 0.00 0.00 7.16 7.55 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 35 T 7.95 3.86 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 1.09 0.00 0.00 36 L 7.58 3.23 0.00 1.27 1.44 -0.34 0.48 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 37 V 7.32 3.75 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 0.78 0.00 0.00 0.84 0.00 0.00 38 G 7.57 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 39 Y 6.69 4.83 0.00 3.05 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 40 D 8.16 4.66 0.00 2.61 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 41 L 7.06 4.48 0.00 1.78 1.59 1.08 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.34 4.01 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 0.90 0.00 0.00 0.97 0.00 0.00 43 P 0.00 4.48 0.00 2.07 1.97 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 44 E 8.74 4.24 0.00 2.11 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 2.52 2.64 0.00 45 P 0.00 4.24 0.00 2.11 2.00 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 46 K 8.12 4.32 0.00 2.03 2.12 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.62 7.81 47 I 8.01 4.12 2.09 0.00 0.00 1.00 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 1.08 1.10 0.00 0.00 48 I 7.59 3.64 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.91 0.85 0.00 0.00 49 D 8.67 4.22 0.00 2.79 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 50 A 7.73 4.00 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 51 A 7.65 3.56 0.43 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 52 L 7.64 3.90 0.00 1.81 1.70 0.87 0.75 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 53 R 8.26 4.03 0.00 1.96 1.98 0.00 3.38 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 54 A 8.17 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 55 C 7.99 4.05 0.00 3.25 3.21 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 56 R 8.05 3.91 0.00 1.94 2.23 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 57 R 8.04 4.00 0.00 2.06 2.01 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 58 L 8.00 4.38 0.00 1.78 1.72 1.03 1.08 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 59 N 8.20 4.11 0.00 2.76 2.83 0.00 0.00 6.58 7.92 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 60 D 8.34 4.76 0.00 2.65 2.53 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 0.00 61 F 8.87 4.17 0.00 3.13 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 62 A 8.19 3.81 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 63 S 8.23 3.97 0.00 3.89 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 64 A 7.30 3.85 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 65 V 7.24 3.35 1.90 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 0.87 0.00 0.00 0.28 0.00 0.00 66 R 7.93 4.51 0.00 1.84 1.83 0.00 3.15 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 67 I 7.99 3.66 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.03 0.79 0.00 0.00 68 L 7.53 4.13 0.00 1.91 1.85 0.90 0.87 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 69 E 8.01 3.90 0.00 2.21 1.92 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 2.28 2.43 0.00 70 V 7.75 3.57 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 0.93 0.00 0.00 0.86 0.00 0.00 71 V 7.36 3.54 2.34 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 0.95 0.00 0.00 1.02 0.00 0.00 72 K 7.49 3.75 0.00 0.79 1.54 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.71 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.08 0.78 7.81 73 D 7.91 4.23 0.00 2.84 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 74 K 8.15 3.86 0.00 1.91 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.58 7.81 75 A 8.06 4.17 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.53 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.33 0.00 2.06 2.10 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 78 H 8.00 4.79 0.00 3.37 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.19 4.10 0.00 1.92 1.98 0.00 1.47 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.76 7.81 80 E 8.12 4.28 0.00 2.09 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 2.38 2.48 0.00 81 I 7.65 3.80 1.97 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 1.43 0.72 1.03 0.00 0.00 82 Y 8.23 4.42 0.00 2.92 3.05 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 P 0.00 4.02 0.00 2.25 2.11 0.00 3.90 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 2.30 2.27 0.00 84 Y 7.78 4.03 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.34 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 0.96 0.00 0.00 1.11 0.00 0.00 86 I 7.76 3.49 1.49 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.01 0.71 0.00 0.00 87 Q 7.90 3.97 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 88 E 7.67 4.00 0.00 1.69 1.80 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 1.61 1.70 0.00 89 L 7.28 4.43 0.00 1.68 1.60 0.85 1.30 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 90 R 7.64 3.85 0.00 1.93 1.97 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 91 P 0.00 4.21 0.00 2.12 2.10 0.00 3.46 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 2.09 2.17 0.00 92 T 7.80 3.92 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 1.20 0.00 0.00 93 L 8.16 3.97 0.00 1.78 1.84 0.85 0.90 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 94 N 8.40 4.30 0.00 2.88 2.86 0.00 0.00 6.70 7.85 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 95 E 8.20 3.91 0.00 1.92 2.20 0.00 0.00 0.00 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 2.37 0.00 96 L 8.09 4.32 0.00 1.68 1.73 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.65 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 0.00 0.00 0.00 98 I 7.83 4.37 1.90 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 1.41 0.66 0.87 0.00 0.00 99 S 8.90 4.82 0.00 4.16 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 0.00 100 T 8.56 4.22 4.43 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 1.23 0.00 0.00 101 P 0.00 4.27 0.00 2.22 2.15 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 102 E 8.18 4.16 0.00 2.11 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 2.50 2.68 0.00 103 E 7.91 4.02 0.00 2.27 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 2.37 0.00 104 L 7.94 4.31 0.00 1.68 1.78 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.07 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 0.00 106 L 8.13 4.17 0.00 1.77 1.71 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.95 4.71 0.00 2.77 2.77 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 0.00 0.00 0.00 0.00 108 K 7.37 4.57 0.00 1.93 1.79 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.36 7.81 109 V 8.42 3.80 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 0.66 0.00 0.00 0.92 0.00 0.00