NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2149 8.3049 118.1425 55.0121 32.5588 174.0452 2 F 4.9244 8.7692 117.7711 53.5821 42.4727 173.3908 3 D 5.1000 9.3542 124.8160 50.9700 44.3546 176.4907 4 A 3.9061 8.6103 121.2166 55.7416 18.0705 179.8447 5 F 4.2747 8.3000 116.0818 60.9565 39.0835 178.1281 6 T 4.0467 8.4359 108.8283 64.4280 68.3814 176.1985 7 K 3.2127 8.1727 122.9401 59.3770 32.2167 178.9964 8 V 3.5409 7.3190 117.1864 65.7725 31.4023 178.1732 9 V 3.6067 7.8448 118.4473 65.8069 31.3765 178.2040 10 S 4.1189 8.2951 114.7226 61.5667 62.3327 176.5300 11 Q 3.9470 7.7433 121.1866 58.6320 28.1939 178.3901 12 A 4.0068 7.8287 122.5418 54.9365 18.3327 179.0718 13 D 4.2701 8.1635 116.6619 57.7911 41.0519 178.5869 14 T 3.9136 7.7529 115.5191 66.1679 68.5153 175.8094 15 R 4.3765 7.5201 116.4611 55.0955 30.5644 176.5207 16 G 4.0174 8.1892 107.1150 46.5774 0.0000 173.3570 17 E 4.7655 8.1036 116.9073 54.1750 32.8942 175.9841 18 M 4.4374 8.2213 119.9212 54.1784 33.2889 176.6258 19 L 4.1342 8.1493 120.8208 54.7957 42.5884 178.0350 20 S 4.5493 8.3068 117.0916 57.7882 65.6931 175.4192 21 T 3.9084 8.3305 111.9491 64.7205 68.4273 176.4671 22 A 3.9848 7.8936 123.2382 55.1242 18.4137 179.4227 23 Q 3.9647 8.1277 116.6038 59.2104 28.6947 179.1851 24 I 3.7967 7.8864 120.8556 64.3727 37.0281 178.2353 25 D 4.3235 8.2821 119.6247 57.2537 40.7524 178.4762 26 A 3.9716 8.0926 121.2596 55.3720 18.3422 179.7627 27 L 3.9175 7.7058 117.1839 57.9655 41.7279 179.8593 28 S 4.2181 8.3029 115.3718 61.7125 62.4909 176.8066 29 Q 4.0559 8.2372 120.6623 58.9342 28.8491 178.1892 30 M 4.1675 7.8841 117.7766 58.1013 31.2759 178.8655 31 V 3.6181 7.8893 119.3010 65.8009 31.5469 177.7124 32 A 4.1701 7.9207 118.7292 53.9832 18.6266 178.2267 33 E 4.4290 7.8960 115.9673 56.1458 30.2818 177.8155 34 S 4.0903 7.7368 115.7376 61.9530 62.7061 176.3098 35 N 4.3119 8.2388 119.2666 56.0346 38.3054 177.2299 36 K 3.9457 7.9793 119.4013 59.4018 32.1777 179.1706 37 R 3.9241 8.0073 118.3789 59.7042 29.9184 178.4087 38 L 4.1340 8.0826 118.5346 57.8808 41.5664 179.2991 39 D 4.3733 8.2897 118.8593 57.0637 40.6923 178.5704 40 A 4.0210 8.1390 121.4093 55.1417 18.3952 179.8374 41 V 3.5952 7.8187 116.6568 66.2465 31.5971 177.7266 42 N 4.3307 8.5321 117.0891 56.8280 38.5764 177.0725 43 R 3.9469 8.3236 118.7678 59.2935 30.5729 178.8634 44 I 3.9385 8.0261 119.6991 64.5305 37.1169 178.5252 45 T 3.8630 8.0813 116.6372 66.9184 68.1974 176.7862 46 S 4.3957 8.2493 114.8822 60.2940 62.9842 174.7683 47 N 4.9822 7.7283 118.2931 52.6031 39.5159 176.2618 48 A 3.9837 8.1892 123.0000 55.6696 18.2817 180.7698 49 S 4.0687 8.0146 112.9434 61.9846 62.8610 177.0386 50 T 3.9288 7.6991 119.1450 66.1745 68.3734 176.5297 51 I 3.6685 8.1693 122.1010 64.4529 37.0681 178.7401 52 V 3.5535 8.0804 119.2715 65.9237 30.9402 178.1693 53 S 4.1279 8.3124 114.3516 61.6394 62.7392 176.2011 54 N 4.3159 8.4909 120.5753 55.7929 38.2313 177.2500 55 A 3.9035 7.9241 121.8628 55.0310 18.3945 179.6087 56 A 3.4222 8.2505 119.6321 55.1072 18.5053 179.8328 57 R 3.9326 8.2114 117.6238 59.5296 30.1306 178.7120 58 S 4.0013 8.3465 113.3488 61.1482 62.3377 175.6302 59 L 3.8041 7.7785 123.1952 58.4682 41.5550 179.1826 60 F 4.4956 7.4569 115.5808 60.3070 38.8167 177.3041 61 A 4.2050 7.7310 120.1291 55.1226 18.2987 179.1450 62 E 4.2279 8.2420 115.9687 57.7950 31.2401 177.3504 63 Q 4.7610 8.5527 117.2491 51.3131 29.0746 174.1014 64 P 4.5252 0.0000 0.0000 65.2926 31.6904 178.4120 65 Q 4.0079 8.0719 117.3881 59.0529 28.3538 178.1667 66 L 4.1502 7.8774 120.9600 57.0875 41.7924 177.9069 67 I 4.0578 7.5329 108.9390 60.7945 38.7077 175.8115 68 A 4.0724 7.5421 125.4976 50.9842 18.8333 175.0912 69 P 2.9700 0.0000 0.0000 63.9632 31.7079 175.5930 70 G 4.1788 8.6167 110.0576 45.7503 0.0000 176.3395 71 G 4.3333 8.3052 106.5508 44.4036 0.0000 174.8684 *75 A 4.0830 8.5718 128.5482 51.4028 19.9088 175.9514 76 Y 4.2659 7.7118 118.7591 58.8707 39.7834 175.3737 77 T 2.9810 7.3129 113.5385 62.0628 69.0330 172.7993 78 S 3.9943 8.4215 119.5396 61.8088 62.7364 177.0530 79 R 3.8406 7.7879 120.6644 59.5500 29.8687 178.6960 80 R 3.8933 7.6589 117.8649 59.3108 29.9850 178.5965 81 M 3.9528 8.1357 117.8745 58.6190 32.1308 178.0682 82 A 3.9657 8.3877 120.9623 55.1890 18.5003 179.3993 83 A 3.9484 8.2726 119.5138 55.4499 18.4404 179.4175 84 C 4.1024 8.5434 117.5522 62.6733 31.6054 175.8152 85 L 4.0579 8.2633 120.7898 57.7313 41.2010 179.3795 86 R 3.8981 8.2919 118.8584 59.5943 29.9245 178.2510 87 D 4.4483 8.4151 118.7393 57.6488 40.8370 178.4370 88 M 4.0498 8.0669 119.0975 58.6535 32.0623 178.2831 89 E 3.9356 8.4286 119.2055 59.4561 29.7649 179.0303 90 I 3.6958 8.2033 119.9769 64.6001 37.2462 178.5312 91 I 3.8374 8.1143 120.8969 64.2849 36.9211 178.3004 92 L 3.9614 8.0418 121.3178 57.8994 41.8763 179.0181 93 R 3.4819 7.8416 118.6435 59.6474 30.0503 178.2309 94 Y 3.6780 7.6154 116.3382 60.7316 37.7433 178.7845 95 V 3.4261 7.8130 119.6756 66.0848 31.5844 178.2620 96 T 3.9705 7.8095 109.4489 64.7150 68.5319 176.2728 97 Y 4.3126 7.7165 119.6434 61.0150 37.9232 178.2380 98 A 4.1137 7.9673 122.9870 54.5186 18.1057 179.7938 99 V 3.8526 7.5138 115.6978 66.1141 31.6779 177.8318 100 F 4.2750 8.2824 119.0154 61.4681 39.5942 176.8889 101 A 4.2534 8.8495 120.8227 52.9054 17.8735 178.4228 102 G 4.0588 9.7653 105.0261 45.5127 0.0000 172.8186 103 D 4.6717 7.6086 116.4649 51.7245 44.1717 175.5202 104 A 4.0102 8.7582 126.7788 52.9705 18.6714 179.4968 105 S 4.1126 8.2132 113.9637 61.6646 62.9477 177.2214 106 V 3.3628 7.7649 122.2684 64.2413 31.0970 177.9929 107 L 3.9358 7.7788 120.4955 57.8435 41.9777 178.6979 108 E 3.9021 8.3652 118.6944 59.6803 29.3030 179.1321 109 D 4.3560 8.7020 118.4432 56.4597 40.9776 177.4676 110 R 4.3807 7.6317 115.1251 55.9527 31.8152 175.4144 111 C 4.2457 7.5768 114.7715 60.7341 33.5529 174.9536 112 L 4.0155 7.8377 118.9871 56.7064 41.5499 176.4057 113 N 4.2388 7.6323 117.3574 54.8188 38.6917 174.6997 114 G 4.3648 8.8971 113.6153 45.9979 0.0000 174.3607 115 L 3.6343 7.7780 122.9858 57.6223 41.9385 178.7444 116 R 3.9338 7.9012 118.2121 59.8277 30.0319 178.2096 117 E 3.9807 8.1071 117.5078 59.4696 29.4398 179.4376 118 T 3.8082 7.4230 115.9860 66.9502 68.4870 176.4093 119 Y 4.5025 7.9061 118.7215 61.0370 37.5994 178.5279 120 L 4.0754 8.1027 119.3250 57.7273 41.7837 179.0790 121 A 4.1697 7.9499 119.9223 55.0824 18.4191 179.3898 122 L 4.2247 7.9993 116.8009 55.7896 41.7498 178.4062 123 G 3.9604 8.5140 106.2688 45.6883 0.0000 172.9280 124 T 4.1353 7.6777 116.1756 61.6783 69.3604 173.8290 125 P 4.4944 0.0000 0.0000 62.3443 31.0698 176.8823 126 G 3.8479 8.8945 113.8922 47.4982 0.0000 173.2371 127 S 4.1469 8.0551 115.8202 61.2548 62.9610 176.6298 128 S 4.1699 8.0539 118.8916 61.0735 62.5419 176.6931 129 V 3.4670 7.5162 120.4573 65.8917 31.2743 177.6098 130 A 4.0286 8.1989 120.7102 55.3606 18.1622 179.8179 131 V 3.6122 7.6913 116.3174 65.8450 31.5609 178.4857 132 G 3.5231 7.8982 105.5254 47.8438 0.0000 175.7602 133 V 3.7959 8.0290 121.3341 65.6506 31.5707 178.2522 134 G 3.5969 8.3669 105.7470 47.7944 0.0000 175.8431 135 K 3.9772 8.0755 120.7121 59.4090 32.0651 179.3881 136 M 3.9944 7.9447 119.0864 57.9860 31.7692 178.5503 137 K 2.4800 7.6555 119.8370 59.0119 32.2546 178.3255 138 E 3.7773 7.6986 118.6507 59.1746 29.5071 178.7043 139 A 3.8789 7.7397 119.9862 55.0213 18.3959 179.3305 140 A 3.9561 8.3340 119.6267 55.4537 18.4561 179.9103 141 L 3.9174 8.2041 117.5581 57.8262 41.4693 179.5791 142 A 4.0278 7.9420 120.7459 55.2976 18.0807 179.8166 143 I 3.7865 7.6997 117.4138 64.4232 37.2188 178.5689 144 V 3.8006 7.8424 118.6704 65.7212 31.5040 177.0222 145 N 4.7956 8.3567 113.6160 52.4206 38.6625 174.5857 146 D 4.4423 7.2580 120.7759 53.3776 41.3026 174.4082 147 P 4.3690 0.0000 0.0000 64.2054 31.8962 176.4813 148 A 4.0332 8.3248 123.8655 53.0921 18.6391 177.3656 149 G 3.9310 9.1116 111.3087 45.8936 0.0000 173.1552 150 I 4.3980 7.4084 115.9881 59.3140 40.8642 173.8616 151 T 3.9460 8.4563 123.0085 62.7887 68.6402 172.7077 152 P 4.2817 0.0000 0.0000 62.7333 31.7408 175.6520 153 G 3.8166 7.8364 108.4858 45.8133 0.0000 171.5091 154 D 4.6693 8.6406 119.0512 53.2989 41.6931 175.3910 155 C 4.8007 8.4803 123.1065 59.4725 29.3441 175.7073 156 S 4.0885 8.4220 117.9254 61.7319 62.2613 176.4745 157 A 3.9227 7.9100 124.0575 54.6430 18.1493 179.1759 158 L 3.8879 7.9211 118.1515 58.2046 42.1283 178.8270 159 A 4.0234 8.4667 121.2041 55.2049 18.2695 179.8697 160 S 4.0194 7.9710 113.7753 61.6223 63.0244 176.4521 161 E 3.6605 8.0361 121.9918 59.2392 29.2141 178.9269 162 I 3.8555 8.0684 119.9826 64.4025 37.1206 178.3319 163 A 4.2255 8.3404 122.0256 55.0726 18.1723 179.8321 164 S 4.0829 7.9429 112.9545 61.5009 63.0370 176.5349 165 Y 4.3614 7.4414 120.6598 61.0407 37.7470 177.9654 166 F 4.1394 8.0354 118.6778 60.9111 39.0763 177.5319 167 D 4.4819 8.5725 118.5226 57.3151 40.4285 178.8787 168 R 3.9291 8.1683 119.1661 59.4162 28.6126 178.4958 169 A 4.0536 8.1563 120.6189 55.2552 18.3433 179.4906 170 C 4.3901 8.1255 115.1310 62.9013 28.0681 175.9955 171 A 4.1429 8.1176 120.6382 54.3563 18.0392 179.0100 172 A 4.1674 7.7303 118.7549 53.9938 18.5249 178.4488 173 V 4.3809 7.3151 108.6279 61.5323 34.0536 176.1980 174 S 4.3448 8.1331 120.3698 58.7410 62.6078 173.8545 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 4.21 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 2 F 8.77 4.92 0.00 3.23 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 3 D 9.35 5.10 0.00 3.13 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 4 A 8.61 3.91 1.06 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 5 F 8.30 4.27 0.00 3.30 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 6 T 8.44 4.05 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 7 K 8.17 3.21 0.00 1.98 1.90 0.00 0.91 0.00 0.00 1.10 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.33 7.81 8 V 7.32 3.54 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 0.92 0.00 0.00 0.91 0.00 0.00 9 V 7.84 3.61 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 1.03 0.00 0.00 0.98 0.00 0.00 10 S 8.30 4.12 0.00 4.03 4.02 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 0.00 0.00 0.00 11 Q 7.74 3.95 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 12 A 7.83 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 13 D 8.16 4.27 0.00 2.91 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 14 T 7.75 3.91 4.42 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 1.21 0.00 0.00 15 R 7.52 4.38 0.00 1.95 1.96 0.00 3.31 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 16 G 8.19 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.10 4.77 0.00 1.92 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 2.22 2.31 0.00 18 M 8.22 4.44 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 19 L 8.15 4.13 0.00 1.64 1.61 0.95 0.89 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 20 S 8.31 4.55 0.00 4.04 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 21 T 8.33 3.91 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 22 A 7.89 3.98 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 23 Q 8.13 3.96 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 24 I 7.89 3.80 2.01 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 1.55 0.80 0.94 0.00 0.00 25 D 8.28 4.32 0.00 2.85 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 26 A 8.09 3.97 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 27 L 7.71 3.92 0.00 1.93 1.83 1.06 1.09 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 28 S 8.30 4.22 0.00 4.04 3.93 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 29 Q 8.24 4.06 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 30 M 7.88 4.17 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.32 0.00 31 V 7.89 3.62 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 1.06 0.00 0.00 1.22 0.00 0.00 32 A 7.92 4.17 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 33 E 7.90 4.43 0.00 2.15 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 2.40 2.42 0.00 34 S 7.74 4.09 0.00 4.05 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 0.00 35 N 8.24 4.31 0.00 2.79 2.94 0.00 0.00 7.12 7.05 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 36 K 7.98 3.95 0.00 1.94 1.87 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 37 R 8.01 3.92 0.00 1.87 2.15 0.00 3.09 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 38 L 8.08 4.13 0.00 1.90 1.77 0.94 0.94 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 39 D 8.29 4.37 0.00 2.91 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 A 8.14 4.02 1.45 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 0.00 0.00 41 V 7.82 3.60 2.40 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 1.12 0.00 0.00 1.17 0.00 0.00 42 N 8.53 4.33 0.00 2.86 2.96 0.00 0.00 7.30 7.81 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 43 R 8.32 3.95 0.00 1.89 2.01 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 44 I 8.03 3.94 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.24 1.02 0.00 0.00 45 T 8.08 3.86 4.44 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 1.20 0.00 0.00 46 S 8.25 4.40 0.00 3.87 3.94 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 47 N 7.73 4.98 0.00 2.83 2.76 0.00 0.00 6.70 7.04 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 48 A 8.19 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 57 R 8.21 3.93 0.00 1.97 2.08 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 58 S 8.35 4.00 0.00 3.85 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 59 L 7.78 3.80 0.00 1.58 1.28 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.46 4.50 0.00 3.10 3.02 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 0.00 0.00 0.00 61 A 7.73 4.20 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 62 E 8.24 4.23 0.00 1.95 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 2.33 2.46 0.00 63 Q 8.55 4.76 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 64 P 0.00 4.53 0.00 2.27 2.35 0.00 3.80 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 65 Q 8.07 4.01 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 66 L 7.88 4.15 0.00 1.92 1.91 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.53 4.06 1.73 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 1.41 0.55 0.24 0.00 0.00 68 A 7.54 4.07 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 69 P 0.00 2.97 0.00 1.70 1.37 0.00 3.43 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 70 G 8.62 4.18 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 0.00 71 G 8.31 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 *75 A 8.57 4.08 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 76 Y 7.71 4.27 0.00 3.01 3.08 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 0.00 0.00 0.00 0.00 77 T 7.31 2.98 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 0.77 0.00 0.00 78 S 8.42 3.99 0.00 3.80 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 79 R 7.79 3.84 0.00 1.82 1.88 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 80 R 7.66 3.89 0.00 1.99 1.95 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 81 M 8.14 3.95 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 82 A 8.39 3.97 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 83 A 8.27 3.95 1.43 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 84 C 8.54 4.10 0.00 3.11 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 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0.00 1.72 1.69 0.00 2.90 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 94 Y 7.62 3.68 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 95 V 7.81 3.43 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 0.12 0.00 0.00 0.60 0.00 0.00 96 T 7.81 3.97 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 1.26 0.00 0.00 97 Y 7.72 4.31 0.00 3.22 2.87 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 98 A 7.97 4.11 0.44 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 99 V 7.51 3.85 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 0.97 0.00 0.00 1.20 0.00 0.00 100 F 8.28 4.27 0.00 3.20 3.28 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 0.00 101 A 8.85 4.25 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.15 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.17 0.00 4.06 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 0.00 129 V 7.52 3.47 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 1.12 0.00 0.00 0.37 0.00 0.00 130 A 8.20 4.03 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 0.00 131 V 7.69 3.61 2.21 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 0.96 0.00 0.00 1.01 0.00 0.00 132 G 7.90 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.80 2.32 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 1.34 0.00 0.00 1.06 0.00 0.00 134 G 8.37 3.60 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 0.00 135 K 8.08 3.98 0.00 1.91 1.79 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.64 7.81 136 M 7.94 3.99 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 137 K 7.66 2.48 0.00 0.95 1.66 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 0.96 7.81 138 E 7.70 3.78 0.00 1.98 1.83 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 2.25 2.27 0.00 139 A 7.74 3.88 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 0.00 140 A 8.33 3.96 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 0.00 141 L 8.20 3.92 0.00 1.76 1.70 0.88 0.79 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 0.00 142 A 7.94 4.03 1.38 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 0.00 143 I 7.70 3.79 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 1.41 0.66 0.97 0.00 0.00 144 V 7.84 3.80 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 0.87 0.00 0.00 1.04 0.00 0.00 145 N 8.36 4.80 0.00 2.76 2.84 0.00 0.00 7.01 7.99 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 0.00 146 D 7.26 4.44 0.00 2.84 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 0.00 147 P 0.00 4.37 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 148 A 8.32 4.03 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 0.00 149 G 9.11 3.93 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 0.00 0.00 0.00 150 I 7.41 4.40 1.88 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 1.43 0.63 0.96 0.00 0.00 151 T 8.46 3.95 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 0.00 152 P 0.00 4.28 0.00 2.17 2.06 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 153 G 7.84 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.64 4.67 0.00 2.62 2.59 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 0.00 155 C 8.48 4.80 0.00 3.00 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 0.00 156 S 8.42 4.09 0.00 4.07 4.16 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 0.00 157 A 7.91 3.92 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 0.00 158 L 7.92 3.89 0.00 1.77 1.85 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.47 4.02 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 0.00 160 S 7.97 4.02 0.00 4.03 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 0.00 161 E 8.04 3.66 0.00 1.94 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 1.70 2.07 0.00 162 I 8.07 3.86 2.11 0.00 0.00 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 1.59 1.39 1.20 0.00 0.00 163 A 8.34 4.23 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 0.00 164 S 7.94 4.08 0.00 4.00 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 0.00 165 Y 7.44 4.36 0.00 3.00 2.82 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 0.00 0.00 0.00 166 F 8.04 4.14 0.00 3.23 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 0.00 167 D 8.57 4.48 0.00 2.74 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 0.00 168 R 8.17 3.93 0.00 2.22 2.17 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 169 A 8.16 4.05 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 0.00 170 C 8.13 4.39 0.00 3.24 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 0.00 171 A 8.12 4.14 1.38 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 0.00 172 A 7.73 4.17 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 0.00 173 V 7.32 4.38 2.33 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 1.10 0.00 0.00 1.18 0.00 0.00 174 S 8.13 4.34 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.