NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.6108 8.0033 118.2819 57.7977 39.1984 173.7885 3 F 4.2924 8.7526 123.4483 54.8723 39.7558 169.0464 4 V 4.2818 8.4881 125.5439 61.0648 34.6205 176.6517 5 D 4.7402 8.2872 126.4596 53.6017 37.7547 176.7912 6 R 3.9620 7.7901 123.7259 59.0357 30.7680 177.5420 7 S 4.1323 7.9854 113.8881 61.1669 63.0202 176.2681 8 K 3.9008 7.8833 121.9236 59.1751 31.9617 178.6906 9 I 3.6991 7.8044 119.9720 64.6469 37.1150 178.2852 10 E 4.0164 8.5739 119.5953 59.4772 29.2826 179.7123 11 K 4.1105 8.1906 118.5185 59.6370 31.9734 179.6673 12 T 3.9775 8.2551 116.4171 66.5210 68.3046 176.7401 13 L 4.1867 8.5376 121.5723 57.7243 41.6567 179.6885 14 G 3.7777 8.2670 105.6369 47.9140 0.0000 175.4237 15 F 4.1703 8.4023 123.4737 60.8091 39.3955 176.6840 16 F 4.1266 8.8223 120.5700 61.7414 39.1524 177.0432 17 E 4.0100 8.9282 118.3647 59.5036 29.3097 178.8800 18 H 4.0504 8.2676 118.4010 59.3981 30.0613 177.4486 19 Q 3.8189 7.7541 119.8486 58.6634 28.4702 178.3096 20 L 3.7451 7.7292 121.2607 58.1376 41.8418 178.9883 21 A 4.0417 7.8850 119.5815 55.0396 18.3164 179.3266 22 L 4.1419 7.4647 116.5294 57.4963 41.6941 179.2490 23 F 4.3277 7.7697 119.9448 60.9401 40.7154 176.5716 24 D 4.5619 7.8297 116.8203 53.2842 37.4562 173.6177 25 S 4.7541 7.1811 114.6394 56.5421 67.0064 175.4106 26 Q 4.3009 8.2316 119.2155 54.9698 27.0055 174.3851 27 T 4.1336 7.3030 120.7241 62.1499 72.3400 173.9787 28 D 4.3569 7.9086 124.9512 53.0386 39.6870 176.4497 29 W 4.7127 8.2280 124.9606 57.5804 29.5010 177.9670 30 Q 4.3852 8.2004 117.4888 56.5776 29.1289 176.8416 31 S 4.3891 7.8655 113.4891 57.8105 64.6073 174.7662 32 E 3.9943 8.6538 121.9539 59.8364 29.2497 179.8457 33 I 3.9208 7.7824 119.3686 64.2357 37.2054 178.5094 34 G 3.8281 8.3961 108.3654 47.3367 0.0000 175.4413 35 E 4.3236 8.7013 122.8138 58.7019 29.4932 179.6042 36 L 4.0576 7.8039 117.6046 57.6188 41.6134 179.3524 37 A 4.0967 8.3124 120.7996 55.2133 18.4010 179.4586 38 L 3.6482 8.5296 119.0490 58.2457 42.0910 179.0087 39 Q 4.0332 8.1379 118.0791 59.0521 28.6646 179.0498 40 R 3.9204 8.0522 119.4792 59.4709 30.1056 178.4600 41 I 3.6993 8.0338 119.9689 64.3546 37.1171 178.5782 42 G 3.4657 8.3233 106.7426 47.9404 0.0000 174.9798 43 H 4.2021 8.3482 121.0698 59.0638 29.8220 177.1641 44 L 4.0232 8.3202 120.9733 57.8530 41.5568 179.5687 45 L 4.0702 8.2189 119.1427 57.8883 41.5836 179.6739 46 I 3.6419 7.7669 119.5815 64.5154 37.0044 178.4240 47 E 3.9331 8.4416 119.5852 59.5091 29.2738 179.0992 48 C 4.1864 8.4530 116.9840 62.9404 28.1745 176.3553 49 I 3.3735 7.6438 120.9944 64.2488 36.6767 178.5566 50 L 3.9570 7.8236 119.7211 57.8523 41.3718 179.3869 51 D 4.3578 8.4281 119.1802 57.6613 40.5605 178.9632 52 T 3.9918 7.8792 115.0848 66.4970 68.5501 176.3933 53 G 3.9875 8.2518 106.7420 48.2225 0.0000 174.7700 54 N 4.5739 8.6761 119.8320 55.9450 38.4894 177.9806 55 D 4.7062 8.3383 118.2613 54.8208 40.5588 178.4716 *57 I 4.1355 7.6817 121.7812 61.7012 38.8833 177.1539 58 D 4.5112 8.4795 120.1062 57.4143 40.9295 179.0595 59 G 3.4227 8.3241 107.1499 48.4199 0.0000 174.3095 60 F 4.0073 8.0172 115.4800 55.7885 39.0695 174.4961 61 I 2.9835 7.2298 121.9856 61.5533 34.7134 173.1143 *63 R 4.0212 8.1229 123.2734 55.6033 30.8557 174.5291 64 D 4.4830 8.5943 124.6014 53.2732 41.6734 174.0850 65 P 4.5114 0.0000 0.0000 62.6667 32.2017 176.2222 66 G 4.0529 8.4569 107.6288 45.2522 0.0000 172.7015 67 S 4.4429 7.3247 112.3434 56.8726 66.1019 174.0225 68 Y 4.4785 8.1160 119.1142 61.3581 37.9506 178.3026 69 D 4.4387 8.2626 118.4811 57.4072 41.3571 177.3407 70 D 4.4293 8.1179 118.5503 57.2933 41.5132 178.1622 71 I 3.6882 7.6371 116.1312 62.9189 37.2457 177.0803 *73 D 4.5739 8.1000 122.5291 54.5556 42.8268 178.0301 74 I 3.7090 8.2975 120.1951 64.3544 36.9881 178.3055 75 L 3.8549 8.0441 119.9199 57.7662 41.4336 179.8468 76 V 3.7097 7.6956 117.4656 66.2369 31.3758 177.5146 77 D 4.4152 8.1514 117.5471 57.3535 40.7706 177.9379 78 E 4.2714 8.1906 115.9254 55.5345 29.7321 176.5412 79 K 3.8826 7.8285 117.4110 57.6410 30.1730 177.7020 80 V 3.6367 7.9767 120.0917 64.9985 31.6836 176.1886 81 V 4.5596 7.2081 109.8319 58.7107 35.1855 175.8716 82 T 4.1408 8.5364 112.2290 61.4083 70.5875 175.1078 83 E 3.8948 8.7156 122.5261 59.5576 29.5169 179.1700 84 K 3.9442 7.9660 118.9688 59.4730 32.3439 178.3939 85 E 4.0618 8.3538 119.0577 59.3219 29.4103 179.3891 86 G 3.7274 8.4055 106.0359 48.1140 0.0000 175.2950 87 D 4.3730 8.2127 121.7146 57.0386 40.4057 178.8666 88 E 3.7923 8.4262 119.2609 59.4128 29.3803 179.5009 89 L 3.9816 8.0650 119.0642 57.5924 41.6177 179.6557 90 K 3.9306 8.1009 118.5396 59.3034 31.6782 179.4827 91 K 3.9739 7.4973 118.3533 59.2699 32.1655 178.8374 92 L 4.0733 7.5155 119.4591 58.2086 42.0455 179.0762 93 I 3.6493 8.1168 119.8095 64.0934 36.7542 178.0298 94 A 4.1113 8.0126 120.7805 54.5144 18.4495 177.9206 95 Y 4.2377 8.0607 117.0053 58.0826 38.9578 177.0085 96 R 3.8375 7.9687 119.9419 60.1440 30.1447 178.0124 97 K 3.8664 7.9960 118.8800 59.8556 32.0197 178.6970 98 T 3.6616 7.4397 115.3945 66.5613 68.1172 176.5853 99 L 4.0282 7.5669 119.7637 57.1279 41.7115 179.0068 100 V 4.1685 7.9236 110.6655 61.4935 32.7061 176.6281 101 Q 4.5224 7.9948 115.9235 57.0510 31.7790 176.6073 102 Q 4.3564 8.1165 119.6984 55.2247 28.5873 176.9171 103 Y 4.5298 6.8719 116.0965 58.7182 38.7978 178.2287 104 L 4.0420 7.3286 119.8384 57.0280 41.8142 177.5023 105 L 4.3744 7.7086 116.5896 54.3145 42.2338 176.7955 106 A 4.0634 7.4102 123.1324 52.3239 18.9283 177.2154 107 D 4.7947 9.1606 121.0620 52.0419 43.7443 176.7796 108 S 4.3715 8.8210 124.5517 61.1810 62.9411 176.8858 109 G 3.5887 8.1859 108.4969 47.7121 0.0000 175.1482 110 E 3.8897 8.6991 122.2720 58.8635 29.5393 178.7438 111 L 3.4011 7.7689 120.2717 57.9389 42.0460 178.0639 112 Y 3.8593 8.2005 119.8366 60.9523 38.6692 178.5371 113 R 3.9794 8.0836 118.7623 59.0072 29.9115 178.7798 114 L 3.8193 7.5039 119.1130 58.2718 42.3118 178.8802 115 I 3.5837 7.5311 119.7805 64.0723 36.6902 178.5649 116 K 3.8926 7.9301 119.2848 59.5138 31.6878 179.2834 117 A 3.9935 7.8923 119.5552 54.3103 18.4012 177.7316 118 H 5.1842 7.4232 113.0441 54.5521 30.0435 175.9252 119 Q 3.9566 7.9542 123.2921 59.6046 28.7200 178.0929 120 T 4.0209 7.9168 115.9874 66.7325 68.3757 176.1570 121 A 4.0486 8.0359 120.7129 55.2081 18.6503 179.2862 122 L 4.2981 8.1115 117.2987 58.2803 41.5694 179.7150 123 Q 4.2026 8.4005 116.9992 59.0875 28.9082 178.2343 124 D 4.5973 8.5586 119.0172 55.7562 41.0270 178.3270 125 F 4.1188 7.9656 121.7195 61.0548 39.3319 175.2160 126 P 3.9918 0.0000 0.0000 65.2803 31.0701 178.6023 127 K 3.8799 8.0233 116.7953 59.5939 32.0530 179.1597 128 R 3.8540 7.9834 118.1648 59.3574 29.9138 179.2408 129 I 3.4689 7.2981 119.1832 64.4089 37.0601 178.6635 130 R 3.8875 8.1836 119.2873 59.3386 29.8875 179.0251 131 S 4.0732 8.2338 112.9542 61.5074 62.2977 175.6754 132 Y 3.7964 7.9523 122.0744 60.5259 38.5342 177.6906 133 L 4.1582 8.2492 120.1209 57.9998 41.6496 179.3532 134 E 4.2037 8.4367 119.9815 59.1987 29.2122 179.6246 135 T 3.7692 7.6090 114.1134 66.8012 68.6147 176.2971 136 E 4.1146 7.9757 118.8932 58.0243 29.6893 178.0684 137 L 4.7513 8.4567 116.5319 53.1996 44.1158 177.1985 138 G 3.9116 8.2994 106.9227 44.0024 0.0000 172.1028 139 P 5.0893 0.0000 0.0000 63.3907 31.9155 176.5336 140 V 4.1189 7.6901 116.1203 64.3805 33.3492 175.3965 141 S 4.3689 7.7870 111.9644 57.2492 63.4799 173.6076 142 A 4.2040 8.0384 127.4876 53.2997 18.9763 177.8411 143 F 5.4344 7.6043 118.7145 56.8495 39.3273 175.2105 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 2 Y 8.00 4.61 0.00 2.94 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 3 F 8.75 4.29 0.00 2.91 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 4 V 8.49 4.28 2.15 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 0.63 0.00 0.00 0.17 0.00 0.00 5 D 8.29 4.74 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.96 0.00 1.92 1.88 0.00 3.25 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 7 S 7.99 4.13 0.00 4.08 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 8 K 7.88 3.90 0.00 2.02 2.07 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.47 7.81 9 I 7.80 3.70 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.56 0.91 0.00 0.00 10 E 8.57 4.02 0.00 2.07 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 2.34 2.44 0.00 11 K 8.19 4.11 0.00 1.83 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.76 7.81 12 T 8.26 3.98 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 1.28 0.00 0.00 13 L 8.54 4.19 0.00 1.85 1.77 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.27 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 15 F 8.40 4.17 0.00 3.29 3.31 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 16 F 8.82 4.13 0.00 3.39 3.41 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 17 E 8.93 4.01 0.00 2.28 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 2.56 2.79 0.00 18 H 8.27 4.05 0.00 3.31 3.31 0.00 5.78 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 19 Q 7.75 3.82 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 20 L 7.73 3.75 0.00 1.34 1.62 0.76 1.01 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 21 A 7.89 4.04 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 22 L 7.46 4.14 0.00 1.87 1.90 0.89 0.70 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 23 F 7.77 4.33 0.00 2.73 3.15 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 24 D 7.83 4.56 0.00 2.70 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 25 S 7.18 4.75 0.00 3.94 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 26 Q 8.23 4.30 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 27 T 7.30 4.13 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 -0.33 0.00 0.00 28 D 7.91 4.36 0.00 2.60 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 0.00 0.00 0.00 0.00 29 W 8.23 4.71 0.00 3.53 3.29 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 30 Q 8.20 4.39 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 31 S 7.87 4.39 0.00 4.03 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 32 E 8.65 3.99 0.00 2.01 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 2.42 2.37 0.00 33 I 7.78 3.92 1.87 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 1.58 1.09 0.93 0.00 0.00 34 G 8.40 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 35 E 8.70 4.32 0.00 2.29 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 0.00 2.42 2.52 0.00 36 L 7.80 4.06 0.00 1.97 1.77 1.00 0.91 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 37 A 8.31 4.10 1.68 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 38 L 8.53 3.65 0.00 1.82 1.88 0.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.14 4.03 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 40 R 8.05 3.92 0.00 1.99 2.14 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 41 I 8.03 3.70 1.78 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 1.39 0.64 0.63 0.00 0.00 42 G 8.32 3.47 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 0.00 43 H 8.35 4.20 0.00 3.29 3.48 0.00 5.62 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 44 L 8.32 4.02 0.00 1.85 1.91 1.04 0.73 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 45 L 8.22 4.07 0.00 1.71 1.68 0.55 -0.07 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 46 I 7.77 3.64 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.80 0.00 0.00 47 E 8.44 3.93 0.00 1.95 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 2.46 2.41 0.00 48 C 8.45 4.19 0.00 3.49 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 49 I 7.64 3.37 1.77 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 0.10 0.35 0.43 0.00 0.00 50 L 7.82 3.96 0.00 1.58 1.62 0.25 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.43 4.36 0.00 2.74 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 52 T 7.88 3.99 4.48 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 1.20 0.00 0.00 53 G 8.25 3.99 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 0.00 0.00 0.00 54 N 8.68 4.57 0.00 2.99 2.93 0.00 0.00 7.14 8.09 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 55 D 8.34 4.71 0.00 2.82 2.69 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 *57 I 7.68 4.14 2.09 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 0.60 1.01 0.00 0.00 58 D 8.48 4.51 0.00 2.72 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 59 G 8.32 3.42 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 0.00 60 F 8.02 4.01 0.00 2.96 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 61 I 7.23 2.98 2.08 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 1.00 0.00 0.00 *63 R 8.12 4.02 0.00 1.81 1.88 0.00 3.24 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 64 D 8.59 4.48 0.00 2.69 2.57 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 65 P 0.00 4.51 0.00 2.37 2.05 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 66 G 8.46 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 0.00 0.00 0.00 67 S 7.32 4.44 0.00 3.88 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 68 Y 8.12 4.48 0.00 3.08 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 69 D 8.26 4.44 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.43 0.00 2.85 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 71 I 7.64 3.69 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 1.36 0.69 0.95 0.00 0.00 *73 D 8.10 4.57 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 3.71 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 1.52 0.80 0.90 0.00 0.00 75 L 8.04 3.85 0.00 1.69 1.69 1.04 0.58 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 76 V 7.70 3.71 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 1.07 0.00 0.00 0.93 0.00 0.00 77 D 8.15 4.42 0.00 2.83 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 78 E 8.19 4.27 0.00 1.84 1.87 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 2.41 2.43 0.00 79 K 7.83 3.88 0.00 1.98 1.94 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.52 7.81 80 V 7.98 3.64 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 0.42 0.00 0.00 0.14 0.00 0.00 81 V 7.21 4.56 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 0.91 0.00 0.00 0.96 0.00 0.00 82 T 8.54 4.14 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 1.27 0.00 0.00 83 E 8.72 3.89 0.00 2.05 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 2.38 2.38 0.00 84 K 7.97 3.94 0.00 1.87 1.79 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 85 E 8.35 4.06 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 2.38 2.36 0.00 86 G 8.41 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 0.00 0.00 0.00 87 D 8.21 4.37 0.00 2.86 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 88 E 8.43 3.79 0.00 2.11 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 2.36 2.54 0.00 89 L 8.07 3.98 0.00 1.60 1.55 0.80 0.95 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 90 K 8.10 3.93 0.00 1.95 1.85 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.70 7.81 91 K 7.50 3.97 0.00 1.66 1.86 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.56 7.81 92 L 7.52 4.07 0.00 1.73 1.71 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.12 3.65 1.96 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 1.35 0.51 0.90 0.00 0.00 94 A 8.01 4.11 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 95 Y 8.06 4.24 0.00 3.03 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 96 R 7.97 3.84 0.00 1.95 1.88 0.00 2.77 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 97 K 8.00 3.87 0.00 1.86 1.73 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.53 7.81 98 T 7.44 3.66 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 0.84 0.00 0.00 99 L 7.57 4.03 0.00 1.72 1.69 1.08 1.17 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 0.00 100 V 7.92 4.17 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 0.55 0.00 0.00 1.01 0.00 0.00 101 Q 7.99 4.52 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.52 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 102 Q 8.12 4.36 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 103 Y 6.87 4.53 0.00 3.19 3.37 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 0.00 104 L 7.33 4.04 0.00 1.53 1.73 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.71 4.37 0.00 1.63 1.66 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.41 4.06 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 0.00 107 D 9.16 4.79 0.00 2.79 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 0.00 108 S 8.82 4.37 0.00 3.99 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 0.00 109 G 8.19 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 0.00 110 E 8.70 3.89 0.00 2.06 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 0.00 2.06 2.29 0.00 111 L 7.77 3.40 0.00 1.50 1.68 0.66 0.66 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 0.00 112 Y 8.20 3.86 0.00 3.22 3.11 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 0.00 0.00 0.00 0.00 113 R 8.08 3.98 0.00 2.06 1.98 0.00 3.22 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.96 0.00 114 L 7.50 3.82 0.00 1.61 1.58 0.91 0.78 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 0.00 115 I 7.53 3.58 0.84 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.93 -0.01 0.00 0.00 116 K 7.93 3.89 0.00 1.82 1.79 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.58 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.06 1.10 7.81 117 A 7.89 3.99 1.10 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 0.00 0.00 118 H 7.42 5.18 0.00 3.07 3.20 0.00 5.64 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 0.00 119 Q 7.95 3.96 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 120 T 7.92 4.02 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 1.24 0.00 0.00 121 A 8.04 4.05 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 0.00 122 L 8.11 4.30 0.00 1.96 1.85 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.40 4.20 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 124 D 8.56 4.60 0.00 2.80 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 0.00 125 F 7.97 4.12 0.00 3.19 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 0.00 126 P 0.00 3.99 0.00 2.35 2.10 0.00 4.03 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.15 0.00 127 K 8.02 3.88 0.00 1.94 1.86 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 128 R 7.98 3.85 0.00 1.76 2.06 0.00 3.41 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 129 I 7.30 3.47 1.64 0.00 0.00 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 0.54 0.09 0.79 0.00 0.00 130 R 8.18 3.89 0.00 1.79 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 131 S 8.23 4.07 0.00 3.93 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 0.00 132 Y 7.95 3.80 0.00 3.15 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 0.00 133 L 8.25 4.16 0.00 1.95 1.78 0.95 1.34 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 0.00 134 E 8.44 4.20 0.00 2.09 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 2.50 2.35 0.00 135 T 7.61 3.77 4.08 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 1.04 0.00 0.00 136 E 7.98 4.11 0.00 1.89 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 1.47 1.47 0.00 137 L 8.46 4.75 0.00 1.69 1.85 1.03 1.01 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 0.00 138 G 8.30 3.91 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 0.00 139 P 0.00 5.09 0.00 2.18 2.26 0.00 3.31 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 140 V 7.69 4.12 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 0.79 0.00 0.00 0.92 0.00 0.00 141 S 7.79 4.37 0.00 3.82 3.71 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 0.00 142 A 8.04 4.20 1.09 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 0.00 143 F 7.60 5.43 0.00 2.95 2.42 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 * Residues marked with a * may have inaccurate shift predictions.