NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2687 8.2531 123.5583 52.0900 19.6979 179.9914 16 G 3.6136 8.7513 111.3101 48.6640 0.0000 172.8546 17 I 3.8423 7.9204 121.0699 63.5024 38.6888 175.3194 18 T 3.8435 7.4779 115.9062 64.0795 69.2103 173.3654 19 G 3.5043 7.6989 111.5391 44.5568 0.0000 171.8873 20 T 4.7370 7.7238 116.8818 61.6117 70.5816 174.3949 21 W 5.1595 8.6717 124.4436 55.1184 33.9285 173.7906 22 Y 5.4578 9.4642 120.0984 56.5224 41.0245 175.1911 23 N 5.8903 9.1156 121.7099 50.3654 39.9717 175.8097 24 Q 4.1053 8.6639 115.8853 58.6596 28.6966 177.0663 25 L 4.2351 8.2982 117.5324 55.2153 42.0453 177.5005 26 G 4.0715 8.0510 106.5707 44.9552 0.0000 173.7936 27 S 4.8641 8.1303 115.5212 58.1502 65.1322 173.0967 28 T 4.7734 8.6223 118.2738 61.7127 72.0695 172.7131 29 F 5.0021 8.9256 128.4002 56.3734 42.0453 173.7159 30 I 4.7412 8.6975 127.7450 59.3210 39.7950 175.1679 31 V 4.6392 8.2548 125.7327 60.0828 35.3689 174.2990 32 T 4.7082 8.8208 119.4488 61.7314 71.1282 172.9425 33 A 4.7992 8.5397 129.1888 50.3319 19.9730 177.3705 34 G 3.8785 9.3364 112.4397 44.6491 0.0000 174.4362 35 A 4.0907 8.5792 122.4866 54.4483 18.4725 178.3723 36 D 4.6928 8.3516 112.8820 53.8137 41.6425 175.9711 37 G 3.0740 7.6122 107.6338 44.0997 0.0000 174.0027 38 A 4.6656 8.0901 123.2647 51.6943 20.0878 176.3469 39 L 5.3392 8.9576 121.3929 53.1384 44.8515 175.8971 40 T 4.9542 8.8021 112.7819 59.7658 72.5843 174.4083 41 G 3.7734 7.5205 108.9109 46.3879 0.0000 171.4001 42 T 5.2127 7.8659 109.5339 60.1379 72.7568 172.5231 43 Y 4.9853 9.2486 124.8014 55.7791 42.1593 173.6692 44 E 5.7595 9.0061 127.4125 53.7433 32.0056 175.2916 45 S 5.1270 9.5165 121.4758 57.0782 64.0706 173.9687 46 A 4.2404 8.5378 125.4403 51.2906 17.2899 176.8045 *50A S 4.1520 8.3223 114.7777 58.5412 63.8212 174.6906 50B N 4.4429 8.6074 123.0560 56.4943 38.3917 177.4322 50C E 4.0269 7.8880 116.7206 59.2082 29.6483 179.1487 51 I 3.4301 7.1022 117.3967 63.1408 37.5090 176.6079 52 K 4.7346 7.9365 118.6628 56.1936 33.2695 175.7857 53 R 5.2789 7.4779 119.5942 54.8961 31.8147 175.4502 54 Y 4.8554 9.0324 119.9354 55.8637 42.6129 175.0343 55 V 4.3211 8.6211 122.4474 63.0108 32.7286 175.0822 56 L 5.4124 8.8501 126.4088 53.3442 43.8772 175.1696 57 T 5.0353 8.2439 113.9589 61.3103 71.4625 173.2512 58 G 4.3554 8.6995 111.5897 46.5796 0.0000 172.1781 59 R 5.6298 8.6654 117.7114 55.0702 35.1434 173.9947 60 Y 5.2991 8.7323 118.1293 55.3871 42.2050 174.0857 61 D 4.3846 9.0277 120.4864 54.0595 40.5980 176.7405 62 S 4.3331 8.1359 120.6197 58.9161 63.7108 174.9451 63 A 4.6374 7.9540 123.9970 49.9519 18.9128 173.9653 64 P 4.7524 0.0000 0.0000 60.8689 32.6606 177.2896 65 A 4.2236 8.3679 122.0246 52.7285 19.1397 177.6651 66 T 4.6858 8.1919 108.6508 61.7011 68.7963 174.5569 67 D 4.7758 8.1235 116.0573 53.8784 40.4492 176.6694 68 G 3.9460 8.4972 106.5782 45.7935 0.0000 174.2704 69 S 4.3620 7.6935 115.0761 57.7295 63.4598 174.0722 70 G 3.9470 8.3687 110.0287 46.6413 0.0000 172.7175 71 T 4.8256 8.8804 116.7213 61.4673 70.3323 174.8279 72 A 4.8072 8.7228 129.2241 52.2933 19.9341 175.8233 73 L 4.9725 9.0232 119.6389 55.5947 44.4802 173.8477 74 G 5.2165 9.2076 106.0418 45.5235 0.0000 171.7996 75 W 5.8148 8.1680 116.8673 55.5513 32.1936 173.2374 76 T 5.1563 9.3513 116.5006 61.7518 72.0066 173.3900 77 V 4.5795 8.8302 124.9822 60.9353 34.1058 174.0532 78 A 4.5595 8.3884 129.8129 50.0448 19.9699 177.5183 79 W 4.2022 8.5664 124.5969 56.4155 28.9963 176.4978 80 K 5.2096 7.9919 118.4645 54.6608 34.6341 174.2950 81 N 5.0942 8.8164 123.3464 51.6022 39.8168 173.6420 82 N 4.2525 8.5545 114.0182 55.6522 38.5954 175.1321 83 Y 4.7365 8.0930 114.4516 58.1890 40.6145 176.1118 84 R 4.7375 7.8457 116.8406 54.7079 34.2643 173.5756 85 N 5.2883 8.5609 118.5776 52.1846 40.8387 173.8870 86 A 4.1936 9.0797 128.7467 52.1441 19.7952 176.2223 87 H 4.1421 8.4619 113.3598 55.8007 26.6464 173.1126 88 S 5.1611 7.3623 112.1941 57.9104 66.9245 174.7943 89 A 5.0336 9.0519 121.1503 50.8994 22.7687 175.2345 90 T 4.8877 8.8165 118.5346 61.7419 71.6282 173.3909 91 T 4.9201 8.3357 115.6316 59.6463 71.7281 172.8988 92 W 4.9136 8.5602 124.8313 54.8378 31.6063 174.8331 93 S 4.9622 8.8421 119.2347 56.7594 65.1763 173.3368 94 G 4.5747 8.5010 111.9456 46.6544 0.0000 171.7026 95 Q 5.3312 8.3263 117.6813 54.8812 32.5958 173.5315 96 Y 4.8869 9.1101 123.2541 56.8326 40.7905 174.2044 97 V 3.9683 8.2653 126.2151 61.1893 34.3173 175.3476 98 G 3.5191 8.0201 119.0627 44.7391 0.0000 171.4166 99 G 3.7993 8.6975 105.8254 44.2220 0.0000 172.9247 100 A 4.1117 8.3935 120.1053 54.2805 19.0422 178.2048 101 E 4.6734 7.7612 114.5080 54.9196 29.2101 175.7500 102 A 4.5376 7.7118 120.8501 52.4264 19.8858 178.4383 103 R 5.2702 9.3704 119.0340 54.7828 35.4983 174.4232 104 I 4.7823 8.9030 122.7159 59.9003 39.7424 174.3557 105 N 5.4020 8.9818 126.2236 52.0468 40.0164 174.6769 106 T 5.3094 9.1428 113.4837 60.0896 73.0373 172.7692 107 Q 4.9586 9.0373 121.3683 53.9170 32.2647 174.7347 108 W 5.3547 8.5787 118.6650 54.6434 32.3114 173.8873 109 L 5.2082 8.7389 120.5190 52.9449 44.8311 175.2074 110 L 4.9453 9.3677 126.7033 53.7978 44.2834 174.8477 111 T 5.0155 8.7335 124.1292 62.0475 70.6521 174.1860 112 S 5.0184 8.8518 123.2123 56.8104 64.8167 174.4417 113 G 3.8776 8.8540 112.0206 46.5955 0.0000 173.1177 114 T 4.7984 8.3167 114.1053 59.4750 72.4783 173.2607 115 T 4.2965 8.2452 114.5102 61.7638 69.9494 175.8181 116 E 4.0096 8.8343 120.6758 61.3686 29.3741 178.8409 117 A 4.3939 8.0715 120.0300 54.2032 18.8998 178.2288 118 N 4.7006 7.8244 112.5812 53.3185 39.1185 176.7784 119 A 4.2349 8.1659 125.3598 54.2214 18.2125 179.8283 120 W 4.2481 8.3408 113.8297 58.7232 28.2663 176.8769 121 K 3.9216 6.4715 116.5450 56.0549 31.9928 177.4388 122 S 4.1320 7.9093 116.5139 60.7076 63.3785 173.4426 123 T 5.0500 7.5926 117.4435 61.8184 70.7181 173.7427 124 R 4.7831 9.0645 126.0845 54.6525 32.8628 175.7822 125 V 4.4470 7.7803 119.9795 60.3921 34.7112 175.0937 126 G 2.9925 6.4802 107.8510 45.7553 0.0000 171.1170 127 H 5.3611 7.9989 114.1775 54.0467 31.6881 172.6036 128 D 5.3109 9.1342 120.9305 52.8876 44.8051 174.7315 129 T 5.1368 8.8683 119.2965 61.9338 71.1964 173.1059 130 F 5.6462 9.5525 126.1695 56.1590 41.5180 175.1541 131 T 5.5213 9.2921 112.7188 59.8457 71.9952 175.0447 132 K 3.7144 8.8690 120.1911 57.7741 32.4719 177.6780 133 V 4.5038 7.4006 110.7852 58.7388 34.6980 175.5313 134 K 3.8784 7.7897 121.0336 55.5765 32.5786 175.7123 135 P 4.4284 0.0000 0.0000 62.9757 31.2189 176.4892 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 15 A 8.25 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.75 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 3.84 1.31 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.25 0.48 0.00 0.00 18 T 7.48 3.84 4.11 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 1.13 0.00 0.00 19 G 7.70 3.50 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 0.00 20 T 7.72 4.74 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 0.69 0.00 0.00 21 W 8.67 5.16 0.00 3.05 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 22 Y 9.46 5.46 0.00 2.96 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 23 N 9.12 5.89 0.00 2.49 1.74 0.00 0.00 6.61 7.25 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 24 Q 8.66 4.11 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.30 4.24 0.00 1.92 1.82 1.03 1.18 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 26 G 8.05 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 0.00 0.00 0.00 27 S 8.13 4.86 0.00 4.11 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 28 T 8.62 4.77 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 29 F 8.93 5.00 0.00 2.42 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 30 I 8.70 4.74 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.36 0.75 0.00 0.00 31 V 8.25 4.64 0.97 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 0.22 0.00 0.00 0.64 0.00 0.00 32 T 8.82 4.71 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 1.14 0.00 0.00 33 A 8.54 4.80 0.59 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 34 G 9.34 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 0.00 0.00 0.00 35 A 8.58 4.09 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 36 D 8.35 4.69 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.61 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.09 4.67 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.96 5.34 0.00 1.76 1.54 1.16 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.80 4.95 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 1.22 0.00 0.00 41 G 7.52 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 0.00 0.00 0.00 42 T 7.87 5.21 4.29 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 1.21 0.00 0.00 43 Y 9.25 4.99 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 44 E 9.01 5.76 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 45 S 9.52 5.13 0.00 4.24 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.54 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50A S 8.32 4.15 0.00 3.84 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 50B N 8.61 4.44 0.00 2.78 3.01 0.00 0.00 7.02 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 50C E 7.89 4.03 0.00 1.94 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 2.32 2.43 0.00 51 I 7.10 3.43 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.01 0.90 0.00 0.00 52 K 7.94 4.73 0.00 2.03 1.98 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.58 7.81 53 R 7.48 5.28 0.00 1.83 1.86 0.00 3.12 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 54 Y 9.03 4.86 0.00 2.83 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 55 V 8.62 4.32 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.85 5.41 0.00 2.00 1.76 0.83 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.24 5.04 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 1.26 0.00 0.00 58 G 8.70 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 0.00 0.00 0.00 0.00 59 R 8.67 5.63 0.00 1.77 1.80 0.00 3.31 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.73 5.30 0.00 3.14 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 61 D 9.03 4.38 0.00 2.81 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 62 S 8.14 4.33 0.00 3.99 3.43 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 63 A 7.95 4.64 1.22 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 0.00 0.00 64 P 0.00 4.75 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.37 4.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.19 4.69 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 1.24 0.00 0.00 67 D 8.12 4.78 0.00 2.75 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 68 G 8.50 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 69 S 7.69 4.36 0.00 3.89 3.84 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 70 G 8.37 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 T 8.88 4.83 4.57 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 1.47 0.00 0.00 72 A 8.72 4.81 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 73 L 9.02 4.97 0.00 2.11 1.97 1.23 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.21 5.22 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 0.00 0.00 0.00 75 W 8.17 5.81 0.00 3.51 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.35 5.16 4.29 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 1.20 0.00 0.00 77 V 8.83 4.58 1.49 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 -0.47 0.00 0.00 0.75 0.00 0.00 78 A 8.39 4.56 1.19 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 0.00 0.00 79 W 8.57 4.20 0.00 3.28 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 80 K 7.99 5.21 0.00 1.88 1.73 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 N 8.82 5.09 0.00 2.65 2.46 0.00 0.00 7.06 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 82 N 8.55 4.25 0.00 1.75 2.22 0.00 0.00 6.58 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 83 Y 8.09 4.74 0.00 3.05 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 84 R 7.85 4.74 0.00 2.07 1.94 0.00 3.38 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 85 N 8.56 5.29 0.00 2.63 2.58 0.00 0.00 6.99 7.96 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 86 A 9.08 4.19 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 87 H 8.46 4.14 0.00 3.37 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.36 5.16 0.00 3.98 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 89 A 9.05 5.03 1.20 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 0.00 0.00 90 T 8.82 4.89 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 -0.50 0.00 0.00 91 T 8.34 4.92 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 1.14 0.00 0.00 92 W 8.56 4.91 0.00 1.78 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 0.00 0.00 0.00 93 S 8.84 4.96 0.00 3.78 3.63 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 0.00 0.00 0.00 0.00 94 G 8.50 4.57 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 0.00 0.00 0.00 95 Q 8.33 5.33 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 96 Y 9.11 4.89 0.00 3.03 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 97 V 8.27 3.97 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 0.87 0.00 0.00 0.89 0.00 0.00 98 G 8.02 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 99 G 8.70 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 0.00 0.00 0.00 100 A 8.39 4.11 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 0.00 101 E 7.76 4.67 0.00 1.95 1.94 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 2.24 2.37 0.00 102 A 7.71 4.54 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.37 5.27 0.00 1.71 2.01 0.00 3.37 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 104 I 8.90 4.78 1.72 0.00 0.00 -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 0.93 -0.36 1.06 0.00 0.00 105 N 8.98 5.40 0.00 2.74 2.82 0.00 0.00 6.10 7.21 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 0.00 106 T 9.14 5.31 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 1.53 0.00 0.00 107 Q 9.04 4.96 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 108 W 8.58 5.35 0.00 2.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.74 5.21 0.00 1.50 1.53 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.37 4.95 0.00 1.51 1.66 0.87 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.73 5.02 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 1.19 0.00 0.00 112 S 8.85 5.02 0.00 3.66 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 0.00 113 G 8.85 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 0.00 0.00 0.00 114 T 8.32 4.80 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 1.21 0.00 0.00 115 T 8.25 4.30 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 1.21 0.00 0.00 116 E 8.83 4.01 0.00 1.99 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 2.32 1.95 0.00 117 A 8.07 4.39 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 0.00 118 N 7.82 4.70 0.00 2.72 2.72 0.00 0.00 6.73 8.26 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 0.00 119 A 8.17 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 0.00 120 W 8.34 4.25 0.00 3.57 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 0.00 121 K 6.47 3.92 0.00 1.02 0.74 0.00 1.20 0.00 0.00 1.22 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.75 7.81 122 S 7.91 4.13 0.00 4.15 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 0.00 123 T 7.59 5.05 4.20 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 1.23 0.00 0.00 124 R 9.06 4.78 0.00 1.89 1.98 0.00 3.04 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 125 V 7.78 4.45 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.63 0.00 0.00 126 G 6.48 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 0.00 0.00 0.00 127 H 8.00 5.36 0.00 3.17 3.11 0.00 5.67 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 0.00 128 D 9.13 5.31 0.00 3.06 2.26 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 0.00 129 T 8.87 5.14 4.30 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 0.00 0.00 0.00 1.37 0.00 0.00 130 F 9.55 5.65 0.00 3.25 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 0.00 131 T 9.29 5.52 4.41 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 1.39 0.00 0.00 132 K 8.87 3.71 0.00 1.64 1.65 0.00 1.14 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 1.11 7.81 133 V 7.40 4.50 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 0.73 0.00 0.00 0.93 0.00 0.00 134 K 7.79 3.88 0.00 1.48 1.51 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.35 0.45 7.81 135 P 0.00 4.43 0.00 2.05 1.99 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.