NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3873 8.1233 123.5874 52.4007 20.9485 178.9767 10 N 4.1307 8.2205 112.9966 56.3241 38.5543 175.6334 11 S 4.1313 9.0609 117.2908 62.2011 63.2535 176.8394 12 T 3.8882 7.7912 117.5884 66.6498 68.3006 176.7589 13 V 3.3023 7.5113 119.8274 65.8905 31.5172 177.6883 14 L 3.8027 8.0375 118.6822 58.0179 41.0096 179.7234 15 S 4.1982 8.0847 112.6644 61.4119 62.1835 175.8553 16 F 4.4348 8.0722 121.8717 61.8727 39.3095 176.6361 17 C 3.9021 8.4143 116.1518 62.1688 27.6283 175.7591 18 A 3.6790 7.9805 123.3808 55.0223 17.8700 178.2708 19 F 4.4879 7.5485 109.5045 57.2460 39.2281 176.1841 20 A 4.2083 7.3501 125.2061 51.5130 18.7991 179.5501 21 V 3.4740 8.3326 114.5098 63.7621 31.9880 176.3055 22 D 4.6909 7.3981 118.8079 50.0875 41.0440 173.4826 23 P 4.1511 0.0000 0.0000 65.5053 31.6041 177.0484 24 A 3.9466 7.9815 118.3926 55.5062 18.3016 179.4954 25 K 3.9852 8.5250 117.5610 59.2636 32.2312 179.0661 26 A 3.9974 8.2015 121.7760 55.2746 18.1825 178.9774 27 Y 4.3379 8.3262 118.3977 60.6054 38.7411 178.1388 28 K 3.7862 8.2408 120.5734 59.7725 32.2385 178.6149 29 D 4.3742 8.0473 117.6133 57.3604 40.8600 178.2071 30 Y 4.2426 8.1026 120.3527 60.7578 38.8696 177.6189 31 L 3.5631 8.1111 119.8497 57.5390 41.5455 179.0872 32 A 4.1093 7.9903 118.7960 53.6750 18.2152 178.4869 33 S 4.6410 7.6904 113.2265 57.5736 63.5561 174.3301 34 G 3.7200 7.9798 108.9949 46.3133 0.0000 174.9643 35 G 2.9141 7.2236 107.2667 44.2510 0.0000 173.6661 36 Q 4.3088 8.3304 121.5215 53.9960 30.0362 174.0894 37 P 4.6884 0.0000 0.0000 62.7888 32.0606 176.2208 38 I 4.1043 8.2841 121.6169 61.6430 37.9565 176.5291 39 T 4.7158 8.0630 113.2852 61.6610 70.4286 174.6724 40 N 4.4027 8.9571 120.1974 54.8606 36.2025 173.6863 41 C 4.4397 7.5515 116.6547 58.9118 28.1932 174.1979 42 V 3.8600 8.4903 118.5197 62.1069 32.2936 175.5018 43 K 4.5948 8.5654 122.2474 54.9550 34.5961 175.5064 44 M 4.3879 8.4691 122.9871 53.8916 33.9950 176.8468 45 L 4.2042 8.1842 124.5963 53.9751 40.6916 175.7891 46 C 4.3793 7.6909 118.6247 57.0960 31.0534 174.3659 47 T 4.2746 8.1400 107.7037 61.1256 69.1810 174.7236 48 H 4.2853 7.9811 118.6971 57.2831 26.2890 174.8761 49 T 4.6333 7.4737 107.2034 61.4562 69.2425 173.7676 50 G 4.1349 8.3914 110.8480 44.0333 0.0000 175.6326 51 T 3.9030 9.5096 104.9407 61.6876 67.9817 174.9305 52 G 4.3335 8.1237 109.3333 46.8681 0.0000 174.0751 53 Q 4.2961 7.4265 116.7475 54.4630 29.9162 175.9768 54 A 3.7047 7.8779 123.0535 54.7455 18.5269 177.0872 55 I 5.1291 7.2963 113.5243 59.6691 40.3075 174.5803 56 T 4.8212 8.9008 115.8869 60.1857 72.5078 175.0983 57 V 4.0198 8.6290 114.0528 63.0143 32.0762 176.5613 58 T 4.5273 7.6606 108.2783 59.0386 71.3130 171.5038 59 P 3.9864 0.0000 0.0000 63.7692 31.5148 176.2721 60 E 4.5481 9.8345 119.2944 56.1687 32.0354 175.2016 61 A 4.3389 7.6920 123.3157 52.3494 19.1568 176.4237 62 N 5.6112 8.1403 114.7665 49.8936 40.5321 174.8688 63 M 4.1970 8.7476 116.8986 58.2833 32.0136 177.2472 64 D 4.7887 9.2396 116.9940 54.2195 41.9918 175.3172 65 Q 5.3032 8.7161 118.2614 54.0938 33.4860 173.8481 66 E 5.0103 9.3444 119.1277 54.8002 33.5083 175.3943 67 S 5.2831 8.3202 118.2269 57.0888 65.3543 173.3462 68 F 5.2276 9.7255 123.4776 55.1639 42.6252 175.0879 69 G 3.8659 8.8109 108.5938 46.3314 0.0000 174.3109 70 G 3.9470 9.0867 115.3048 49.0501 0.0000 175.0989 71 A 3.9903 8.2673 122.7423 54.8591 18.5495 179.8126 72 S 4.1712 7.5227 110.4573 61.9483 63.1978 176.3191 73 C 4.5440 8.1522 116.3541 60.9192 28.9856 172.2222 74 C 4.0160 7.5947 121.7510 56.4471 41.2318 173.5857 75 L 3.5570 8.4117 130.0888 58.4405 41.5404 178.3003 76 Y 3.9085 7.5314 115.7416 61.2812 37.7319 178.8589 77 C 4.3848 8.2533 115.6766 60.3004 40.4311 176.0536 78 R 3.7810 8.3233 118.8958 58.7395 29.7636 178.0536 79 C 4.2037 8.1308 115.0939 59.6467 28.5046 173.2674 80 H 4.0831 8.0347 116.7741 56.9376 25.9774 174.2524 81 I 4.4682 7.4496 110.4431 58.5392 40.4306 174.6008 82 D 4.1943 8.0346 120.1255 54.1979 41.7667 175.0906 83 H 4.4419 7.6884 115.2661 53.9583 34.3446 173.3835 84 P 4.2935 0.0000 0.0000 62.4068 29.4086 176.2321 85 N 4.0200 8.9186 112.1683 53.9745 37.5236 174.4680 *89 F 4.1216 8.0484 118.7853 57.0554 41.2367 174.7064 90 C 4.1730 8.2005 117.2127 58.1113 29.6103 174.3744 91 D 4.5198 8.8256 124.1272 55.0815 39.1456 177.2312 92 L 4.1988 7.7606 120.1210 56.6515 42.3564 176.8904 93 K 3.9807 8.1575 120.8475 57.8220 32.1918 176.9876 94 G 3.7863 8.8981 114.6474 45.0399 0.0000 172.3148 95 K 4.5589 7.6866 119.4283 54.7253 35.9063 174.1686 96 Y 5.0363 8.7967 117.8482 56.6376 41.3804 175.2111 97 V 4.7915 8.8263 124.8171 61.8417 33.3788 174.4567 98 Q 5.0768 9.2568 128.2400 54.9663 29.8808 175.2583 99 I 4.2559 9.2299 125.7446 58.2628 40.6716 173.2839 100 P 4.5182 0.0000 0.0000 63.8985 31.8262 177.1238 101 T 4.1624 9.5994 123.8508 67.0827 68.4461 176.1197 102 T 4.1274 7.9204 107.9541 63.4248 68.9551 174.0352 103 C 4.6593 9.0387 119.4105 59.2618 29.8917 175.2988 104 A 4.0143 7.7577 121.6689 53.4828 17.8946 177.8994 105 N 4.6303 8.3677 114.8011 54.3668 38.7928 175.1709 106 D 4.7838 7.4658 117.8155 51.2177 41.6372 173.2675 107 P 3.9731 0.0000 0.0000 65.8966 31.9616 178.0114 108 V 3.6908 7.8625 116.1580 66.6855 31.2778 178.1388 109 G 4.0584 8.4414 104.5124 47.8616 0.0000 174.4721 110 F 3.8294 8.3637 123.7146 60.9133 39.1259 176.7906 111 T 3.8076 7.8656 109.4965 65.2643 68.4429 175.6880 112 L 4.1266 7.2801 119.0478 57.7701 41.8823 179.6043 113 R 4.0208 7.7068 116.3649 57.1954 30.1600 176.1979 114 N 5.0505 6.8052 114.3810 51.3917 42.0264 173.4571 115 T 4.9410 8.3542 115.1819 62.0101 72.1076 173.3736 116 V 4.3268 8.2875 124.3491 61.4187 33.4641 174.8223 117 C 4.4747 8.6754 128.3651 59.2377 31.8200 174.5695 118 T 3.8801 8.8432 116.9116 63.7915 68.8543 175.2394 119 V 4.0099 7.8004 121.2090 64.7949 32.2467 176.3411 120 C 4.2586 8.0307 111.6579 58.1124 30.6073 174.1625 121 G 3.8253 8.5846 109.2108 46.3109 0.0000 172.6826 122 M 4.8522 7.4954 117.5309 52.1185 35.6485 175.1542 123 W 4.9908 8.6080 120.4642 57.4348 29.6756 175.4929 124 K 4.1865 9.2170 125.2922 59.2399 31.3031 176.7225 125 G 4.0636 9.7109 114.6581 45.8735 0.0000 172.5623 126 Y 4.8416 8.4461 116.7623 56.0892 39.0217 173.7209 127 G 3.5895 8.7134 113.3368 45.8612 0.0000 173.4160 128 C 3.8656 8.1541 119.7389 60.9905 31.9570 173.5527 129 S 4.0780 8.7524 120.3880 59.2474 62.6590 172.2090 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 9 A 8.12 4.39 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 10 N 8.22 4.13 0.00 2.84 2.87 0.00 0.00 7.00 6.68 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 11 S 9.06 4.13 0.00 3.88 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 12 T 7.79 3.89 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 V 7.51 3.30 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 0.66 0.00 0.00 0.84 0.00 0.00 14 L 8.04 3.80 0.00 1.69 1.65 0.90 0.51 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 15 S 8.08 4.20 0.00 4.03 4.22 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 16 F 8.07 4.43 0.00 3.03 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 17 C 8.41 3.90 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.98 3.68 0.95 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 19 F 7.55 4.49 0.00 3.07 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.35 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.33 3.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.92 0.00 0.00 22 D 7.40 4.69 0.00 2.44 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 0.00 0.00 0.00 0.00 23 P 0.00 4.15 0.00 2.02 1.88 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 24 A 7.98 3.95 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 25 K 8.53 3.99 0.00 1.97 1.97 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.47 7.81 26 A 8.20 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.33 4.34 0.00 2.95 3.13 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 28 K 8.24 3.79 0.00 2.00 1.94 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 D 8.05 4.37 0.00 3.04 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 30 Y 8.10 4.24 0.00 3.44 3.19 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 31 L 8.11 3.56 0.00 1.46 1.49 0.41 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.99 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.69 4.64 0.00 3.78 3.74 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 34 G 7.98 3.72 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 0.00 0.00 0.00 35 G 7.22 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.33 4.31 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 37 P 0.00 4.69 0.00 2.15 2.30 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 38 I 8.28 4.10 1.78 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.83 0.00 0.00 39 T 8.06 4.72 4.28 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 1.32 0.00 0.00 40 N 8.96 4.40 0.00 2.91 2.96 0.00 0.00 6.78 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 7.55 4.44 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 3.86 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 1.02 0.00 0.00 1.04 0.00 0.00 43 K 8.57 4.59 0.00 1.49 1.48 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.51 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.10 7.81 44 M 8.47 4.39 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.83 0.00 45 L 8.18 4.20 0.00 1.54 1.54 0.89 0.91 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 46 C 7.69 4.38 0.00 2.94 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 47 T 8.14 4.27 4.22 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 1.17 0.00 0.00 48 H 7.98 4.29 0.00 3.35 3.40 0.00 5.56 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 49 T 7.47 4.63 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 1.29 0.00 0.00 50 G 8.39 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 51 T 9.51 3.90 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 1.24 0.00 0.00 52 G 8.12 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.43 4.30 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 54 A 7.88 3.70 -0.33 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 55 I 7.30 5.13 1.79 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 1.43 0.47 0.92 0.00 0.00 56 T 8.90 4.82 4.28 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 1.21 0.00 0.00 57 V 8.63 4.02 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 0.76 0.00 0.00 0.97 0.00 0.00 58 T 7.66 4.53 4.12 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 1.24 0.00 0.00 59 P 0.00 3.99 0.00 1.82 1.84 0.00 3.21 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 0.00 60 E 9.83 4.55 0.00 2.04 1.86 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 2.50 2.39 0.00 61 A 7.69 4.34 1.23 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 0.00 0.00 0.00 62 N 8.14 5.61 0.00 2.93 3.11 0.00 0.00 6.71 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.75 4.20 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 64 D 9.24 4.79 0.00 2.85 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 65 Q 8.72 5.30 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 66 E 9.34 5.01 0.00 1.91 1.50 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 2.23 2.39 0.00 67 S 8.32 5.28 0.00 3.65 3.77 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 68 F 9.73 5.23 0.00 3.00 2.99 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 69 G 8.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.27 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 72 S 7.52 4.17 0.00 4.10 4.07 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 73 C 8.15 4.54 0.00 3.05 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 74 C 7.59 4.02 0.00 3.08 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 75 L 8.41 3.56 0.00 1.44 1.14 0.37 0.50 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 76 Y 7.53 3.91 0.00 3.26 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 77 C 8.25 4.38 0.00 3.11 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 78 R 8.32 3.78 0.00 1.73 1.88 0.00 3.27 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 79 C 8.13 4.20 0.00 2.93 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 80 H 8.03 4.08 0.00 3.30 3.40 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.45 4.47 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.76 0.00 0.00 82 D 8.03 4.19 0.00 2.51 2.44 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 83 H 7.69 4.44 0.00 2.71 2.39 0.00 5.88 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.29 0.00 2.07 1.39 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 85 N 8.92 4.02 0.00 2.81 2.74 0.00 0.00 6.78 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 F 8.05 4.12 0.00 2.98 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 90 C 8.20 4.17 0.00 3.14 3.04 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 91 D 8.83 4.52 0.00 2.80 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 92 L 7.76 4.20 0.00 1.77 1.91 1.03 0.94 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 93 K 8.16 3.98 0.00 1.70 1.82 0.00 1.87 0.00 0.00 1.34 0.00 0.00 2.71 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.31 7.81 94 G 8.90 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 95 K 7.69 4.56 0.00 1.76 1.83 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.74 7.81 96 Y 8.80 5.04 0.00 2.96 2.86 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 97 V 8.83 4.79 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 1.31 0.00 0.00 1.08 0.00 0.00 98 Q 9.26 5.08 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.35 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 99 I 9.23 4.26 1.92 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.79 0.17 0.00 0.00 100 P 0.00 4.52 0.00 1.69 2.03 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.98 0.00 101 T 9.60 4.16 4.25 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 1.22 0.00 0.00 102 T 7.92 4.13 4.28 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 1.24 0.00 0.00 103 C 9.04 4.66 0.00 2.42 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.76 4.01 1.50 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 0.00 0.00 0.00 105 N 8.37 4.63 0.00 2.80 2.97 0.00 0.00 6.55 7.91 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 0.00 106 D 7.47 4.78 0.00 2.74 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 0.00 107 P 0.00 3.97 0.00 1.68 1.13 0.00 3.47 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.28 0.00 108 V 7.86 3.69 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 0.76 0.00 0.00 0.82 0.00 0.00 109 G 8.44 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 0.00 0.00 0.00 110 F 8.36 3.83 0.00 3.15 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 0.00 111 T 7.87 3.81 4.47 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 1.51 0.00 0.00 112 L 7.28 4.13 0.00 1.93 1.80 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.71 4.02 0.00 1.61 1.83 0.00 3.01 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 114 N 6.81 5.05 0.00 1.48 2.39 0.00 0.00 6.76 7.46 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 0.00 115 T 8.35 4.94 4.36 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 1.28 0.00 0.00 116 V 8.29 4.33 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 0.47 0.00 0.00 0.21 0.00 0.00 117 C 8.68 4.47 0.00 3.14 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 0.00 118 T 8.84 3.88 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 0.00 119 V 7.80 4.01 2.09 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 0.86 0.00 0.00 0.93 0.00 0.00 120 C 8.03 4.26 0.00 3.12 3.04 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 0.00 121 G 8.58 3.83 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 0.00 0.00 0.00 122 M 7.50 4.85 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 123 W 8.61 4.99 0.00 3.67 3.39 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 0.00 124 K 9.22 4.19 0.00 2.04 1.89 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 125 G 9.71 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 0.00 0.00 0.00 126 Y 8.45 4.84 0.00 3.17 3.03 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 0.00 127 G 8.71 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 0.00 128 C 8.15 3.87 0.00 3.17 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 0.00 129 S 8.75 4.08 0.00 4.04 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.