NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3600 8.3044 120.3883 55.7520 32.9174 174.4855 2 T 3.8208 8.7638 125.6884 62.1418 69.4346 170.1720 3 H 3.8847 7.3903 122.7608 53.5928 30.2605 171.5298 4 D 4.4497 8.8022 122.1895 51.8985 42.0479 179.5585 5 N 4.6203 9.0908 124.7504 52.3890 37.0012 174.8338 6 K 4.6676 8.2468 112.4979 56.4262 34.3097 177.1107 7 L 4.0913 8.2746 122.1361 59.4338 40.5808 178.1686 *8 Q 4.5433 7.8131 116.6155 53.1900 30.2304 177.3148 9 V 4.4852 7.9137 123.9065 62.5545 32.6631 173.6417 10 E 4.5965 8.0799 121.0289 55.3072 33.5267 176.1904 11 A 4.0230 7.7492 119.9751 52.2541 15.8258 177.0492 12 I 4.1968 8.2017 113.5065 60.5147 39.2678 175.6840 13 K 3.9347 8.1531 120.1357 55.4116 34.1692 172.3224 14 R 4.4620 8.2389 129.5510 53.8557 31.2844 176.2014 15 G 3.1249 7.1076 111.1012 44.8292 0.0000 170.4203 16 T 5.0184 7.7728 116.3633 61.6384 71.8561 174.1103 17 V 4.5616 8.8685 124.8239 61.2999 34.6619 174.3826 18 I 4.7084 8.5428 130.1588 60.3063 38.2873 174.6285 19 D 5.0615 8.6976 126.5501 52.2287 44.6912 174.3924 20 H 3.7277 8.3959 117.4929 57.0831 28.0723 174.6018 21 I 4.1219 7.3374 120.2717 60.2990 38.0478 175.4053 22 P 4.0933 0.0000 0.0000 65.5144 31.0756 174.8868 23 A 4.5199 9.0938 121.7085 52.2715 19.7816 177.2303 24 Q 3.7171 8.5400 120.6647 56.9261 26.8507 174.9219 25 I 4.3350 7.3921 118.7838 62.5597 37.4932 177.7943 26 G 3.6871 8.1675 107.2090 47.9789 0.0000 175.3327 27 F 4.0697 8.2550 123.0292 60.4202 39.4199 177.1078 28 K 3.7083 8.2036 117.5715 59.6921 31.9740 179.0426 29 L 4.1666 8.2568 119.3078 57.6866 40.9611 179.6478 30 L 3.9413 7.8981 119.0512 58.1694 41.5671 179.3124 31 S 3.8849 7.9237 115.5228 61.4126 62.4597 176.5775 32 L 3.5986 7.9936 122.3034 57.3424 41.5087 178.5366 33 F 4.6238 7.8261 113.7038 56.1639 39.5772 175.7439 34 K 3.8643 7.7149 120.2459 57.4851 29.9027 176.3708 35 L 4.2193 7.5352 116.6586 56.8936 42.0581 179.0629 36 T 4.1313 7.6591 107.8876 63.2993 69.6088 174.4180 37 E 4.3481 7.6026 123.9474 56.6102 29.3418 175.8708 38 T 4.7463 7.3900 112.9438 61.9899 72.6051 174.3450 39 D 4.6110 8.5111 121.9615 55.1156 41.5524 177.2457 40 Q 4.2473 7.6716 117.9247 55.2528 29.5028 175.7930 41 R 4.1825 8.3459 118.8409 56.5011 31.2073 175.8214 42 I 4.7591 8.3429 123.2932 59.7924 40.5355 174.9198 43 T 4.7750 8.8268 121.9221 61.8861 71.8038 173.2379 44 I 5.0002 8.3855 124.6335 59.4967 41.4645 174.7854 45 G 4.1371 8.9976 113.2378 44.4662 0.0000 171.6363 46 L 5.1111 8.4950 125.5419 53.2323 44.0236 176.4177 47 N 4.1380 8.9936 120.6786 54.1760 35.9839 173.6649 48 L 4.6873 8.4197 120.0204 52.6437 44.9354 176.3985 49 P 4.9160 0.0000 0.0000 62.6533 30.8603 174.9884 50 S 4.6747 9.4491 123.3799 56.5607 68.5286 173.0810 51 G 3.8260 9.1395 109.0059 47.7861 0.0000 173.9482 52 E 3.7030 8.6275 119.2185 55.4501 26.2155 174.8771 53 M 5.0945 8.6412 134.4100 55.5226 32.7381 175.6546 54 G 4.3828 8.8062 111.4517 44.8197 0.0000 173.2256 55 R 5.7118 7.7336 118.7314 53.6980 33.0918 173.7770 56 K 4.9086 8.5833 124.2546 55.6059 36.9239 173.9392 57 D 5.4148 8.4455 118.6407 52.8965 45.0812 174.9956 58 L 4.7131 8.4406 119.5633 54.3191 46.2796 173.9245 59 I 5.0553 8.7130 125.0574 59.5343 41.2959 174.2354 60 K 4.9316 9.3974 126.9226 54.7397 34.7557 175.3131 61 I 4.6234 8.5941 127.5281 59.3870 39.0810 175.2372 62 E 4.4215 8.4883 125.9944 56.2336 31.4166 177.1874 63 N 4.3036 8.8101 117.1204 53.9645 36.8615 174.3452 64 T 4.5724 7.0704 114.0442 61.4790 71.2021 172.9942 65 F 5.3056 9.0261 123.3892 54.4464 41.5793 174.5280 66 L 4.8272 7.9690 125.1540 54.1885 42.9361 175.7657 67 S 4.4234 8.4035 114.3463 59.3862 66.2298 175.4440 68 E 3.9346 8.4037 122.6985 57.7394 27.5506 175.8400 69 D 4.6428 8.3800 125.0417 56.0618 40.7462 178.6021 70 Q 3.9457 7.8439 119.5205 59.0264 28.5595 178.9695 71 V 3.5239 7.2409 116.0858 66.1095 31.4989 177.7298 72 D 4.4191 8.0939 118.4171 56.7598 40.5092 178.3657 73 Q 4.1632 7.6296 119.8455 58.5317 29.4467 177.0778 74 L 4.1038 7.5143 117.2918 56.5789 40.9064 178.8829 75 A 4.1898 7.9930 121.3078 55.0776 17.9470 179.5727 76 L 4.0859 8.0361 116.1932 57.2054 41.7080 178.0226 77 Y 4.6792 7.4616 115.0735 58.2147 40.6825 176.1649 78 A 4.8109 8.6070 121.9647 50.2784 19.1232 175.0206 79 P 4.3844 0.0000 0.0000 64.2120 32.4105 177.8726 80 Q 4.5866 7.9386 117.6746 55.4765 29.4189 174.8531 81 A 5.0755 7.3630 118.5381 50.1868 21.7479 177.2898 82 T 4.7793 8.7426 115.1114 61.7915 72.5186 174.1692 83 V 4.7111 8.9804 124.3051 61.3182 34.1833 173.8855 84 N 5.1715 9.3332 126.9581 52.3808 40.2449 174.3232 85 R 5.0760 9.3930 124.0595 54.6651 32.9998 174.5754 86 I 5.0165 8.9243 126.1304 59.6829 41.5478 173.9067 87 D 4.8213 9.0885 125.6281 53.0837 44.5302 174.4404 88 N 4.0791 9.2563 123.6756 55.7407 36.9087 172.8061 89 Y 3.7939 7.1536 109.9902 58.5892 36.8171 170.5966 90 E 4.7402 8.0625 118.9941 54.2705 32.6553 176.2736 91 V 4.1486 8.2629 123.3874 63.3128 29.1432 175.5881 92 V 3.9891 8.0781 120.5518 61.6263 32.2671 176.4287 93 G 4.0927 7.8544 106.4804 45.6819 0.0000 173.1900 94 K 4.9776 8.7346 124.8666 55.2076 34.4749 175.2068 95 S 4.9518 9.1662 124.1365 56.8915 65.9330 173.6434 96 R 5.0846 8.2750 119.6198 53.9054 33.1440 174.1650 97 P 4.5683 0.0000 0.0000 62.2770 32.3627 175.6936 98 S 4.6813 8.4824 113.5796 55.9425 65.4341 173.8439 99 L 3.9878 8.5020 125.9848 54.3864 41.6096 175.8751 100 P 4.6217 0.0000 0.0000 62.3886 32.9437 175.2735 101 E 4.5131 8.5267 114.1037 57.0690 31.0952 175.7459 102 R 5.3355 7.6719 119.8110 55.5542 33.1118 174.1763 103 I 4.5122 8.6261 126.8636 59.7698 39.1308 174.7491 104 D 4.9820 8.8482 127.6723 54.7170 41.9611 178.1043 105 N 4.4882 9.2418 121.4980 54.4842 38.2752 176.1420 106 V 3.7942 7.9710 115.3197 63.3019 31.9627 175.2363 107 L 4.6899 7.7224 118.0633 53.2165 44.0617 175.4133 108 V 4.4737 7.7140 118.2876 60.8935 34.1419 174.4679 109 C 4.5512 8.9847 127.7717 58.9265 31.7157 171.6607 110 P 4.1288 0.0000 0.0000 64.2746 31.4686 175.7259 111 N 4.6348 7.8939 119.3276 52.7214 38.5759 175.3568 112 S 4.2684 8.7036 121.0657 60.1892 63.3312 174.2407 113 N 4.6867 8.2883 118.6981 53.4705 39.0757 174.4724 114 C 4.3049 7.8497 117.7633 60.1593 31.9185 173.3725 115 I 3.9003 8.2244 125.2641 63.3017 38.0149 177.9831 116 S 3.7352 7.7671 114.0469 61.2742 62.8928 175.4707 117 H 4.2195 8.0064 117.2035 59.0217 28.4323 176.2952 118 A 4.2831 7.4901 117.7653 52.9149 18.1957 176.6372 119 E 4.7836 7.4926 114.6282 53.6518 33.8253 174.8234 120 P 4.6146 0.0000 0.0000 62.9547 30.1275 176.5954 121 V 4.5163 7.3323 110.1388 60.5936 34.7178 176.0202 122 S 4.6104 8.4182 118.7577 57.4954 64.0804 174.6007 123 S 4.5733 8.4231 118.5730 59.0590 64.4975 172.8316 124 S 5.1664 8.1658 114.0208 57.4254 66.0519 172.8522 125 F 5.1551 8.6374 124.1666 55.3898 42.6721 174.1253 126 A 4.5481 8.9786 126.5135 52.0357 19.2899 176.4716 127 V 4.8542 8.1601 122.3236 61.8916 33.4973 175.0308 128 R 4.4224 8.9154 121.0715 55.6149 33.1433 172.7996 129 K 4.0173 8.4138 120.0836 56.0367 29.3602 174.9475 130 R 3.7029 8.0849 117.3973 58.0126 30.8413 176.4337 131 A 3.7448 8.8521 120.9861 54.0479 17.6890 177.6175 132 N 4.3204 7.8276 110.7377 53.9795 37.7075 174.2027 133 D 4.6827 8.0341 118.2006 53.6610 41.9786 175.2759 134 I 3.8384 7.9783 123.7866 60.4673 38.1541 174.5402 135 A 5.2572 8.8717 128.3613 50.1253 22.1859 175.1194 136 L 5.2895 8.8845 120.0107 52.8359 45.7124 175.4163 137 K 5.0493 9.0160 125.2684 54.4723 34.5678 174.7989 138 C 3.6052 8.7847 128.6495 58.9601 32.1660 173.9250 139 K 3.5048 8.2525 128.0075 60.0949 31.1367 177.5450 140 Y 4.1364 8.0358 117.3126 60.5488 37.0741 176.9411 141 C 4.1505 8.0667 112.8889 58.4150 30.5093 173.5353 142 E 4.2276 7.1978 118.8032 56.2213 27.5349 174.1606 143 K 4.3721 7.3052 116.3613 54.9745 34.3456 175.4024 144 E 4.9003 8.2389 124.8795 54.6194 31.2622 174.7402 145 F 5.0354 9.0438 124.6783 55.3711 43.7080 174.3128 146 S 4.7661 8.6585 114.4972 57.8317 63.3618 174.3482 147 H 4.1336 9.2321 124.1778 59.0591 27.7951 177.5467 148 N 4.1088 7.7065 118.1296 55.6054 37.2411 176.8800 149 V 3.6569 7.7280 120.4421 65.7906 31.4465 178.2725 150 V 3.4683 7.5800 116.2907 65.5223 31.4605 176.8870 151 L 4.2607 7.7309 115.8189 55.2312 41.6211 177.5316 152 A 4.4287 8.0192 121.0380 51.9525 20.2470 176.5067 153 N 4.1437 8.3667 119.5343 53.7237 39.6464 173.8584 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 M 8.30 4.36 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 2 T 8.76 3.82 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 1.12 0.00 0.00 3 H 7.39 3.88 0.00 3.44 3.23 0.00 5.74 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 4 D 8.80 4.45 0.00 2.77 2.45 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 0.00 5 N 9.09 4.62 0.00 3.13 3.18 0.00 0.00 5.43 6.59 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 6 K 8.25 4.67 0.00 1.82 1.88 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.40 7.81 7 L 8.27 4.09 0.00 1.78 1.85 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 7.81 4.54 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 9 V 7.91 4.49 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 0.81 0.00 0.00 0.96 0.00 0.00 10 E 8.08 4.60 0.00 2.10 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 2.27 2.28 0.00 11 A 7.75 4.02 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 12 I 8.20 4.20 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.95 0.00 0.00 13 K 8.15 3.93 0.00 0.79 1.58 0.00 1.39 0.00 0.00 1.20 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.21 7.81 14 R 8.24 4.46 0.00 1.99 1.85 0.00 3.32 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 15 G 7.11 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 0.00 0.00 0.00 16 T 7.77 5.02 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 1.21 0.00 0.00 17 V 8.87 4.56 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 0.94 0.00 0.00 0.92 0.00 0.00 18 I 8.54 4.71 1.85 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 1.06 0.63 0.89 0.00 0.00 19 D 8.70 5.06 0.00 2.78 2.49 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 20 H 8.40 3.73 0.00 3.47 3.54 0.00 5.91 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 21 I 7.34 4.12 1.88 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 1.45 0.78 0.96 0.00 0.00 22 P 0.00 4.09 0.00 2.08 2.18 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 23 A 9.09 4.52 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 24 Q 8.54 3.72 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 25 I 7.39 4.34 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.03 1.05 0.00 0.00 26 G 8.17 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.25 4.07 0.00 3.14 3.09 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 0.00 28 K 8.20 3.71 0.00 1.98 1.69 0.00 1.81 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.62 7.81 29 L 8.26 4.17 0.00 1.83 1.74 0.92 0.54 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 30 L 7.90 3.94 0.00 1.58 1.51 0.91 0.82 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 31 S 7.92 3.88 0.00 3.62 3.57 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 32 L 7.99 3.60 0.00 1.30 0.49 0.70 0.18 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 33 F 7.83 4.62 0.00 3.20 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 34 K 7.71 3.86 0.00 1.89 1.90 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.50 7.81 35 L 7.54 4.22 0.00 1.66 1.71 0.90 0.78 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 36 T 7.66 4.13 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 1.20 0.00 0.00 37 E 7.60 4.35 0.00 2.05 1.95 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 2.31 2.31 0.00 38 T 7.39 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 1.22 0.00 0.00 39 D 8.51 4.61 0.00 2.66 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 40 Q 7.67 4.25 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 41 R 8.35 4.18 0.00 1.75 1.84 0.00 3.06 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 42 I 8.34 4.76 1.87 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 1.32 0.75 0.92 0.00 0.00 43 T 8.83 4.77 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 1.22 0.00 0.00 44 I 8.39 5.00 1.90 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 1.29 0.61 0.97 0.00 0.00 45 G 9.00 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 46 L 8.49 5.11 0.00 1.50 1.58 0.97 1.12 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 47 N 8.99 4.14 0.00 2.84 2.86 0.00 0.00 6.97 7.40 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 48 L 8.42 4.69 0.00 1.54 1.56 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.92 0.00 2.08 2.10 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 50 S 9.45 4.67 0.00 3.70 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 51 G 9.14 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 52 E 8.63 3.70 0.00 2.04 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 2.25 2.22 0.00 53 M 8.64 5.09 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 54 G 8.81 4.38 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 0.00 55 R 7.73 5.71 0.00 1.77 1.76 0.00 3.01 0.00 0.00 3.93 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 56 K 8.58 4.91 0.00 1.76 1.72 0.00 1.43 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.39 7.81 57 D 8.45 5.41 0.00 2.61 2.60 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 58 L 8.44 4.71 0.00 1.70 1.44 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.71 5.06 1.86 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 1.24 0.88 0.89 0.00 0.00 60 K 9.40 4.93 0.00 1.61 1.68 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 61 I 8.59 4.62 1.78 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 1.25 0.75 0.85 0.00 0.00 62 E 8.49 4.42 0.00 2.04 1.98 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 2.38 2.24 0.00 63 N 8.81 4.30 0.00 2.81 2.95 0.00 0.00 6.74 7.09 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 64 T 7.07 4.57 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 1.18 0.00 0.00 65 F 9.03 5.31 0.00 3.00 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 66 L 7.97 4.83 0.00 1.87 1.62 0.88 0.57 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 67 S 8.40 4.42 0.00 3.88 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 E 8.40 3.93 0.00 2.25 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 2.28 2.34 0.00 69 D 8.38 4.64 0.00 2.96 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 70 Q 7.84 3.95 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 71 V 7.24 3.52 2.24 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 1.02 0.00 0.00 0.92 0.00 0.00 72 D 8.09 4.42 0.00 2.95 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 73 Q 7.63 4.16 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.66 2.78 0.00 74 L 7.51 4.10 0.00 1.70 1.63 0.83 0.33 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 75 A 7.99 4.19 1.40 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 0.00 0.00 0.00 76 L 8.04 4.09 0.00 1.43 1.10 0.74 0.69 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 77 Y 7.46 4.68 0.00 3.15 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 78 A 8.61 4.81 1.26 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 0.00 0.00 79 P 0.00 4.38 0.00 2.20 2.41 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 80 Q 7.94 4.59 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 81 A 7.36 5.08 1.32 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 0.00 0.00 0.00 82 T 8.74 4.78 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 1.28 0.00 0.00 83 V 8.98 4.71 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 1.07 0.00 0.00 0.92 0.00 0.00 84 N 9.33 5.17 0.00 2.77 2.74 0.00 0.00 6.16 7.63 0.00 0.00 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 R 9.39 5.08 0.00 1.99 2.02 0.00 3.04 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.93 0.00 86 I 8.92 5.02 2.07 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 1.15 0.41 0.90 0.00 0.00 87 D 9.09 4.82 0.00 2.75 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 88 N 9.26 4.08 0.00 2.79 2.75 0.00 0.00 7.25 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 89 Y 7.15 3.79 0.00 3.17 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 90 E 8.06 4.74 0.00 1.99 1.82 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 2.28 2.39 0.00 91 V 8.26 4.15 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 0.84 0.00 0.00 0.96 0.00 0.00 92 V 8.08 3.99 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 0.73 0.00 0.00 0.91 0.00 0.00 93 G 7.85 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 0.00 0.00 0.00 0.00 94 K 8.73 4.98 0.00 1.73 1.69 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.65 7.81 95 S 9.17 4.95 0.00 3.79 3.73 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 96 R 8.27 5.08 0.00 1.65 1.80 0.00 3.37 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 97 P 0.00 4.57 0.00 2.04 2.19 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 98 S 8.48 4.68 0.00 3.78 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 99 L 8.50 3.99 0.00 1.67 1.61 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.62 0.00 2.36 2.12 0.00 3.77 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 101 E 8.53 4.51 0.00 2.07 2.24 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 2.31 2.31 0.00 102 R 7.67 5.34 0.00 1.82 1.82 0.00 3.00 0.00 0.00 4.01 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.53 0.00 103 I 8.63 4.51 2.02 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 1.45 0.91 1.08 0.00 0.00 104 D 8.85 4.98 0.00 2.71 2.65 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 0.00 105 N 9.24 4.49 0.00 2.90 2.99 0.00 0.00 6.87 7.26 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 0.00 106 V 7.97 3.79 2.24 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 0.71 0.00 0.00 0.43 0.00 0.00 107 L 7.72 4.69 0.00 1.63 1.26 0.78 0.70 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 0.00 108 V 7.71 4.47 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 0.86 0.00 0.00 0.95 0.00 0.00 109 C 8.98 4.55 0.00 3.21 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 0.00 110 P 0.00 4.13 0.00 1.74 1.81 0.00 3.45 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.92 0.00 111 N 7.89 4.63 0.00 3.29 3.02 0.00 0.00 6.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.70 4.27 0.00 4.00 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 0.00 113 N 8.29 4.69 0.00 2.74 2.90 0.00 0.00 7.09 7.06 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 0.00 114 C 7.85 4.30 0.00 3.09 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 0.00 115 I 8.22 3.90 1.84 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 1.45 1.44 0.76 0.00 0.00 116 S 7.77 3.74 0.00 3.79 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 0.00 117 H 8.01 4.22 0.00 3.13 3.39 0.00 5.72 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 0.00 118 A 7.49 4.28 1.26 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 0.00 0.00 119 E 7.49 4.78 0.00 1.77 1.73 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 2.19 2.18 0.00 120 P 0.00 4.61 0.00 2.17 2.13 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 121 V 7.33 4.52 2.18 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 0.75 0.00 0.00 0.53 0.00 0.00 122 S 8.42 4.61 0.00 3.92 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 0.00 123 S 8.42 4.57 0.00 4.19 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 0.00 124 S 8.17 5.17 0.00 3.89 3.56 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 0.00 125 F 8.64 5.16 0.00 2.98 2.96 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 0.00 126 A 8.98 4.55 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 0.00 127 V 8.16 4.85 2.25 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 0.82 0.00 0.00 0.99 0.00 0.00 128 R 8.92 4.42 0.00 1.89 1.97 0.00 2.94 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 129 K 8.41 4.02 0.00 1.91 1.89 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.44 7.81 130 R 8.08 3.70 0.00 1.83 1.89 0.00 3.56 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 131 A 8.85 3.74 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 0.00 132 N 7.83 4.32 0.00 2.82 2.97 0.00 0.00 6.28 8.06 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 0.00 133 D 8.03 4.68 0.00 2.80 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 0.00 134 I 7.98 3.84 1.55 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 1.02 0.64 0.92 0.00 0.00 135 A 8.87 5.26 1.24 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 0.00 136 L 8.88 5.29 0.00 1.68 1.71 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.02 5.05 0.00 1.84 1.68 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.31 7.81 138 C 8.78 3.61 0.00 3.09 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 0.00 139 K 8.25 3.50 0.00 1.61 1.51 0.00 1.63 0.00 0.00 1.34 0.00 0.00 2.44 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.49 1.07 7.81 140 Y 8.04 4.14 0.00 3.01 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 0.00 141 C 8.07 4.15 0.00 3.17 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 0.00 142 E 7.20 4.23 0.00 2.28 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 2.20 2.30 0.00 143 K 7.31 4.37 0.00 1.56 1.08 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.61 7.81 144 E 8.24 4.90 0.00 1.87 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 2.18 2.45 0.00 145 F 9.04 5.04 0.00 2.99 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 0.00 146 S 8.66 4.77 0.00 3.91 3.76 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 0.00 147 H 9.23 4.13 0.00 3.31 3.57 0.00 5.33 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 0.00 148 N 7.71 4.11 0.00 2.80 2.82 0.00 0.00 5.95 7.68 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 0.00 149 V 7.73 3.66 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 0.93 0.00 0.00 0.95 0.00 0.00 150 V 7.58 3.47 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 0.56 0.00 0.00 0.75 0.00 0.00 151 L 7.73 4.26 0.00 1.86 1.61 0.77 0.47 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 0.00 152 A 8.02 4.43 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 0.00 153 N 8.37 4.14 0.00 2.72 2.96 0.00 0.00 6.83 7.56 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 * Residues marked with a * may have inaccurate shift predictions.