NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4234 8.4345 117.0992 58.4134 63.9084 173.6452 10 D 4.7767 8.4671 114.7142 54.0519 40.6410 170.4669 11 K 4.2737 8.5728 120.5847 56.1050 33.8063 174.7017 12 P 4.7593 0.0000 0.0000 63.2844 32.3868 175.6243 13 V 4.9242 9.1880 123.0134 60.7000 35.2870 173.3416 14 A 4.8236 8.5388 122.3395 51.6643 23.2736 175.3777 15 H 4.8854 9.0517 118.2282 55.9702 32.4467 172.8844 16 V 4.8296 9.0140 119.5222 59.5673 34.5710 175.2877 17 V 5.3374 8.8815 115.5847 59.2408 35.7505 174.9456 18 A 4.2772 8.5489 124.6111 51.7181 18.8679 177.1119 19 N 4.2717 8.7342 123.1446 53.0577 39.2532 174.2238 20 P 3.8456 0.0000 0.0000 65.5621 31.5898 177.5469 21 Q 3.9751 8.2171 118.6280 58.3830 29.4678 176.4280 22 A 4.2924 7.6673 125.9824 50.9027 17.0991 176.3059 23 E 4.3779 7.9793 116.9795 56.6017 30.6428 178.6549 24 G 3.9974 9.9764 114.1244 45.6818 0.0000 173.5439 25 Q 4.4773 7.8668 115.5377 53.1631 32.0601 178.1123 26 L 4.0624 8.1674 121.8743 53.7643 41.4269 174.8274 27 Q 4.5554 7.6862 127.0017 53.6688 31.3113 174.3656 28 W 5.2428 9.4268 127.5008 56.8580 30.3433 175.9807 29 S 4.7799 9.6711 117.7120 56.8644 65.6789 173.8730 30 N 4.8511 8.8937 122.1433 52.8910 38.0289 175.8288 31 R 4.4371 7.7127 119.3914 54.4308 29.5506 175.5796 32 R 4.4456 7.1634 116.4118 54.9715 33.3698 173.3400 33 A 4.0944 8.5216 125.3553 53.8885 18.7323 177.1835 34 N 4.2416 8.9163 117.0042 54.2601 35.8675 173.8465 35 A 5.1215 7.4196 117.3161 50.4247 22.2376 176.7952 36 L 4.6844 8.8832 117.9855 53.6051 46.6271 176.2151 37 L 4.8515 8.4534 123.8677 54.5432 43.3214 173.5919 38 A 4.6041 9.3568 126.4843 50.6360 23.4646 175.0024 39 N 4.3251 9.2955 113.6822 54.9793 35.5567 175.0470 40 G 4.1395 8.5958 107.4623 45.7303 0.0000 175.4517 41 V 4.1690 7.3392 117.8886 62.6709 32.2778 175.2152 42 E 4.7591 8.5160 123.9804 54.7044 34.5262 174.5903 43 L 4.9012 8.5012 121.4597 53.3737 43.0415 176.1394 44 R 4.4176 8.8605 125.3570 55.2054 31.9529 175.1874 45 D 4.3073 9.5333 125.3106 55.5788 38.2785 173.1800 46 N 4.4639 8.6070 112.7757 54.7807 37.3917 173.1297 47 Q 4.9549 7.8632 113.2343 53.5695 33.8281 174.2583 48 L 4.8029 8.3490 121.5237 53.7423 43.3200 175.8043 49 V 4.4765 8.8120 125.2123 61.3219 33.4161 175.0250 50 V 3.8173 8.6786 129.4159 62.1902 31.7548 174.9416 51 P 4.3421 0.0000 0.0000 64.5219 32.0020 175.3404 52 I 4.4529 7.1027 116.9726 59.7860 40.7943 173.3566 53 E 4.4392 9.0186 127.1912 55.5806 30.5745 176.1730 54 G 4.0302 8.2212 112.1140 46.2794 0.0000 170.6698 55 L 5.0543 7.5341 119.7830 53.8259 43.1475 176.2918 56 F 5.2081 9.6766 123.0692 55.4635 42.8060 174.0371 57 L 4.9839 9.0772 125.8363 54.2933 43.3819 175.1721 58 I 5.1583 9.4212 127.6800 59.8922 40.4688 174.2898 59 Y 5.9147 7.7564 122.5998 56.1629 42.1519 173.3730 60 S 5.0319 7.8088 111.3625 58.0972 65.7218 174.9886 61 Q 4.8488 7.9626 126.0563 54.5283 32.6721 173.9393 62 V 4.5969 8.2981 117.9482 59.2524 36.2724 174.1816 63 L 4.9450 8.0643 124.3838 53.3931 44.8092 174.8629 64 F 5.4242 9.0482 125.2069 56.0074 41.4325 174.8873 65 K 4.8891 8.4296 123.2388 54.3870 35.4218 175.2926 66 G 2.8234 6.1276 111.2150 44.5917 0.0000 171.7399 67 Q 4.3438 8.3274 120.2768 54.7308 28.4825 177.2565 68 G 3.9898 8.6527 115.9205 46.2528 0.0000 171.5415 69 C 4.8885 8.4175 106.9867 56.6225 29.8097 171.0831 70 P 4.6871 0.0000 0.0000 63.5227 31.2053 176.5669 71 S 4.0531 8.9235 117.7346 58.5998 63.0482 167.9574 72 T 3.4401 8.3171 123.4279 63.2560 68.0618 171.2943 73 H 4.8628 8.5260 120.6449 54.0379 30.8955 174.8565 74 V 4.0652 8.0194 123.5876 62.1316 32.5699 174.1351 75 L 4.8734 8.1837 123.5082 52.8020 44.7412 175.7264 76 L 4.6957 9.2742 124.5125 52.9991 44.2330 175.6170 77 T 5.1482 8.8823 113.9855 60.2339 72.4431 172.8467 78 H 5.5179 9.2037 123.2287 55.3207 33.2761 172.1344 79 T 5.1292 8.8943 115.4458 59.9021 72.8706 172.8018 80 I 4.8329 8.7399 123.9636 59.7118 40.0766 174.9215 81 S 5.1045 9.2905 121.8886 56.3873 66.5343 172.8065 82 R 4.8556 8.6955 121.2414 54.4832 32.7196 174.0736 83 I 4.7956 9.0470 126.5115 58.4105 40.0943 174.8827 84 A 4.9192 8.4130 132.0030 51.3580 20.7559 176.2996 85 V 3.1759 8.6666 115.2655 61.9629 31.9715 172.6291 86 S 4.9144 8.2338 126.6066 59.5189 64.5173 177.3018 *87 Y 3.3407 8.4989 131.6320 58.5121 33.6509 167.5235 88 Q 4.5383 7.3492 119.1286 53.5836 30.9359 177.1791 89 T 4.0121 8.1638 109.1818 64.2078 67.6870 171.8875 90 K 5.0263 8.3145 125.7873 54.5725 34.5057 175.5965 91 V 4.5081 8.1574 125.1365 59.9418 34.7959 174.1523 92 N 4.7613 8.8224 122.2077 53.3088 38.6191 174.7982 93 L 4.2141 8.9658 124.3460 56.1671 43.0364 177.4097 94 L 4.9428 7.4716 117.1886 53.0457 45.9661 175.9010 95 S 5.0732 8.5243 116.3075 57.2488 65.5572 173.0436 96 A 4.8999 9.4350 128.3623 50.3010 22.6080 174.6959 97 I 5.1019 8.3519 120.1903 59.6551 40.8120 174.8627 98 K 4.6525 9.2006 125.3781 55.1513 36.5851 175.1231 99 S 4.9011 8.6375 119.5369 54.5409 64.3919 172.7341 100 P 4.0789 0.0000 0.0000 64.4640 31.0722 176.5098 101 C 4.5537 7.0971 115.0837 58.1618 31.5044 173.6984 102 Q 4.3329 8.6572 122.9078 55.8235 30.4665 175.2499 103 R 4.6776 7.1306 117.3940 55.6578 33.1742 180.3717 104 E 4.6582 8.1442 105.9600 57.7324 32.1124 171.6404 105 T 4.5357 8.5618 123.0105 60.2025 69.5231 173.9568 106 P 4.3900 0.0000 0.0000 62.4810 29.7379 177.0502 107 E 4.1045 8.1439 117.8751 57.4768 28.9911 172.8385 108 G 4.1150 8.3491 112.1429 45.6474 0.0000 174.0631 109 A 4.1925 8.0159 124.7251 51.8259 20.0449 177.8360 110 E 4.6722 7.9085 115.7996 54.7678 33.2175 176.5941 111 A 4.1318 7.7330 128.1277 49.5320 16.5376 176.1682 112 K 4.3941 8.5431 122.5493 54.8852 33.7852 175.3258 113 P 4.8012 0.0000 0.0000 62.4605 32.4481 175.3047 114 W 5.1671 8.1404 118.8471 55.0142 31.8839 173.7008 115 Y 5.3259 8.8367 117.0226 56.6008 41.4688 175.0632 116 E 4.7947 9.8876 123.3369 54.3331 33.1385 172.7508 117 P 5.2277 0.0000 0.0000 61.9824 33.5558 175.5784 118 I 4.7565 8.6466 121.8419 59.9766 41.0647 173.4557 119 Y 5.0986 8.9293 127.8722 55.7626 41.3808 174.6317 120 L 4.8547 7.7242 125.0159 53.0865 45.7942 175.7378 121 G 4.5750 8.5599 107.6593 45.7983 0.0000 172.3454 122 G 4.1847 8.9724 109.5108 45.8102 0.0000 171.7770 123 V 5.0287 7.9300 119.5308 61.0420 33.3814 174.8744 124 F 4.9023 9.4740 125.6795 55.6752 43.5896 173.7445 125 Q 4.8026 8.9956 123.9322 55.7864 29.5416 174.6432 126 L 4.9604 9.3336 126.6216 53.0618 45.8163 175.0048 127 E 5.1082 9.0911 118.3547 53.9502 33.8356 176.0335 128 K 4.2096 8.5748 122.5780 58.1638 32.5454 177.2931 129 G 3.9650 9.3848 115.1330 45.1250 0.0000 173.3064 130 D 4.6356 7.8923 120.6649 54.4107 42.1049 175.4808 131 R 5.1004 8.9201 121.6459 54.3770 33.3833 174.9442 132 L 5.2814 8.4719 122.2164 52.9500 45.3646 175.3711 133 S 5.0720 9.1626 117.3705 56.4087 65.6861 172.5133 134 A 4.6994 8.5408 128.5362 50.4860 19.7703 175.3799 135 E 4.9136 9.4215 121.6038 55.6390 32.8206 175.4713 136 I 5.6884 8.3284 113.4034 59.0449 40.4712 174.4639 137 N 4.6450 9.0553 119.5785 53.4990 38.7469 175.5093 138 R 4.6974 7.8222 118.8566 53.2422 30.6892 173.8584 139 P 4.3784 0.0000 0.0000 65.1439 32.0126 179.4528 140 D 4.3254 8.0070 117.7624 55.8680 39.5651 176.4135 141 Y 4.7561 8.0475 116.3199 57.7589 38.4180 174.9596 142 L 4.3191 7.6263 122.9736 54.8519 42.5597 176.2037 143 D 4.5373 8.8286 126.7991 52.4232 40.5251 175.4727 144 F 4.9950 7.1849 122.8443 55.9293 38.7876 177.7726 145 A 4.0817 8.3512 128.5471 56.3316 18.2853 179.0718 146 E 4.8651 7.8150 108.5609 53.7162 33.2832 177.3288 147 S 4.4536 8.4002 113.6738 60.7591 63.4813 175.3442 148 G 4.1736 9.1051 111.6152 45.7409 0.0000 174.2979 149 Q 4.2926 8.0333 118.2894 57.5966 29.4841 176.2047 150 V 4.7588 7.8494 117.7023 61.3163 34.7838 173.9242 151 Y 5.6673 8.5424 124.9168 56.2896 42.2348 173.5571 152 F 5.1406 9.2735 122.0798 56.9853 43.1514 173.3080 153 G 3.9174 8.4292 111.8633 45.3271 0.0000 171.1233 154 I 5.4800 8.1197 112.1341 59.8850 41.6504 173.7312 155 I 4.8595 8.1964 120.3325 60.0153 41.3452 172.9863 156 A 3.6722 8.4245 134.5309 51.8632 19.0580 178.1672 *157 L 3.9762 8.3680 122.2780 54.4369 41.7257 173.9917 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 9 S 8.43 4.42 0.00 3.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.47 4.78 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.57 4.27 0.00 1.74 1.76 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.43 7.81 12 P 0.00 4.76 0.00 2.27 2.11 0.00 3.59 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 2.21 2.33 0.00 13 V 9.19 4.92 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 0.87 0.00 0.00 1.02 0.00 0.00 14 A 8.54 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.05 4.89 0.00 3.35 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.01 4.83 2.31 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 0.62 0.00 0.00 0.70 0.00 0.00 17 V 8.88 5.34 2.29 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 0.85 0.00 0.00 1.07 0.00 0.00 18 A 8.55 4.28 1.01 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 0.00 0.00 0.00 0.00 0.00 19 N 8.73 4.27 0.00 2.78 2.53 0.00 0.00 6.73 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 20 P 0.00 3.85 0.00 2.28 2.26 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 21 Q 8.22 3.98 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.51 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 22 A 7.67 4.29 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.98 4.38 0.00 2.00 1.77 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 2.23 1.88 0.00 24 G 9.98 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 0.00 0.00 0.00 25 Q 7.87 4.48 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 26 L 8.17 4.06 0.00 1.36 1.41 -0.18 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.69 4.56 0.00 2.01 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 28 W 9.43 5.24 0.00 3.27 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 29 S 9.67 4.78 0.00 3.83 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 30 N 8.89 4.85 0.00 2.86 2.88 0.00 0.00 6.08 7.67 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 31 R 7.71 4.44 0.00 1.83 1.95 0.00 3.37 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 32 R 7.16 4.45 0.00 1.82 1.75 0.00 3.22 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 33 A 8.52 4.09 1.27 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 0.00 0.00 34 N 8.92 4.24 0.00 2.93 2.96 0.00 0.00 6.79 7.35 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 35 A 7.42 5.12 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 36 L 8.88 4.68 0.00 1.66 1.51 0.95 0.67 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 37 L 8.45 4.85 0.00 1.57 1.53 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.36 4.60 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 39 N 9.30 4.33 0.00 3.01 2.99 0.00 0.00 7.53 7.87 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 40 G 8.60 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 41 V 7.34 4.17 2.03 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 1.07 0.00 0.00 0.92 0.00 0.00 42 E 8.52 4.76 0.00 1.87 1.74 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 2.26 2.47 0.00 43 L 8.50 4.90 0.00 1.51 1.65 1.04 0.94 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 44 R 8.86 4.42 0.00 1.78 1.74 0.00 3.29 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 45 D 9.53 4.31 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 46 N 8.61 4.46 0.00 2.89 3.00 0.00 0.00 7.03 7.10 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 47 Q 7.86 4.95 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 48 L 8.35 4.80 0.00 1.28 1.28 -0.20 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.81 4.48 2.03 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 0.87 0.00 0.00 0.90 0.00 0.00 50 V 8.68 3.82 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 0.61 0.00 0.00 0.53 0.00 0.00 51 P 0.00 4.34 0.00 2.24 2.26 0.00 3.81 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 2.08 2.00 0.00 52 I 7.10 4.45 1.94 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 1.29 0.60 1.09 0.00 0.00 53 E 9.02 4.44 0.00 2.07 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 2.57 2.31 0.00 54 G 8.22 4.03 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 0.00 0.00 0.00 55 L 7.53 5.05 0.00 1.51 1.57 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.68 5.21 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.08 4.98 0.00 1.84 1.68 1.11 1.00 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 58 I 9.42 5.16 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.97 0.00 0.00 59 Y 7.76 5.91 0.00 3.15 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 60 S 7.81 5.03 0.00 3.71 3.54 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 61 Q 7.96 4.85 0.00 2.20 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 2.04 2.49 0.00 62 V 8.30 4.60 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 0.52 0.00 0.00 0.49 0.00 0.00 63 L 8.06 4.94 0.00 1.85 1.46 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.05 5.42 0.00 3.44 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.43 4.89 0.00 1.21 1.20 0.00 1.32 0.00 0.00 1.17 0.00 0.00 2.65 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.37 0.21 7.81 66 G 6.13 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 0.00 0.00 0.00 67 Q 8.33 4.34 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 5.97 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 68 G 8.65 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 69 C 8.42 4.89 0.00 3.12 3.16 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 70 P 0.00 4.69 0.00 2.09 2.14 0.00 3.85 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 2.08 2.19 0.00 71 S 8.92 4.05 0.00 4.08 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 72 T 8.32 3.44 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 1.23 0.00 0.00 73 H 8.53 4.86 0.00 3.03 3.22 0.00 5.71 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 74 V 8.02 4.07 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 1.19 0.00 0.00 1.13 0.00 0.00 75 L 8.18 4.87 0.00 1.47 1.46 0.89 0.90 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 76 L 9.27 4.70 0.00 1.42 1.08 0.63 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.88 5.15 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 1.19 0.00 0.00 78 H 9.20 5.52 0.00 3.38 3.25 0.00 5.54 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.89 5.13 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 1.20 0.00 0.00 80 I 8.74 4.83 1.75 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 0.85 0.00 0.00 81 S 9.29 5.10 0.00 3.76 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 82 R 8.70 4.86 0.00 1.70 1.68 0.00 2.95 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 83 I 9.05 4.80 1.85 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 1.09 2.19 0.96 0.00 0.00 84 A 8.41 4.92 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 85 V 8.67 3.18 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 0.75 0.00 0.00 0.93 0.00 0.00 86 S 8.23 4.91 0.00 3.86 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 *87 Y 8.50 3.34 0.00 2.54 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 0.00 0.00 0.00 0.00 88 Q 7.35 4.54 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 89 T 8.16 4.01 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 90 K 8.31 5.03 0.00 1.77 1.63 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.37 7.81 91 V 8.16 4.51 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 0.76 0.00 0.00 0.91 0.00 0.00 92 N 8.82 4.76 0.00 2.61 2.76 0.00 0.00 7.03 7.84 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 93 L 8.97 4.21 0.00 1.07 0.39 0.27 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.47 4.94 0.00 1.50 1.52 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.52 5.07 0.00 3.81 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 96 A 9.43 4.90 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 97 I 8.35 5.10 1.87 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 1.23 0.73 0.93 0.00 0.00 98 K 9.20 4.65 0.00 1.75 1.51 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.38 7.81 99 S 8.64 4.90 0.00 3.75 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 0.00 100 P 0.00 4.08 0.00 0.49 0.65 0.00 3.56 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.92 0.00 101 C 7.10 4.55 0.00 2.72 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 0.00 102 Q 8.66 4.33 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 103 R 7.13 4.68 0.00 1.78 1.69 0.00 3.30 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 104 E 8.14 4.66 0.00 1.91 1.72 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 2.02 1.77 0.00 105 T 8.56 4.54 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 0.00 106 P 0.00 4.39 0.00 2.18 2.10 0.00 3.80 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 1.99 1.96 0.00 107 E 8.14 4.10 0.00 2.17 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 2.09 1.85 0.00 108 G 8.35 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 0.00 0.00 0.00 0.00 109 A 8.02 4.19 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 0.00 110 E 7.91 4.67 0.00 1.86 1.78 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 2.19 1.83 0.00 111 A 7.73 4.13 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 0.00 112 K 8.54 4.39 0.00 1.79 1.78 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.65 7.81 113 P 0.00 4.80 0.00 1.91 2.09 0.00 3.73 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 2.07 1.99 0.00 114 W 8.14 5.17 0.00 3.35 3.18 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 0.00 115 Y 8.84 5.33 0.00 2.87 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 0.00 116 E 9.89 4.79 0.00 2.11 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 2.36 2.20 0.00 117 P 0.00 5.23 0.00 2.17 2.13 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 118 I 8.65 4.76 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 1.07 0.00 0.00 119 Y 8.93 5.10 0.00 3.04 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 0.00 120 L 7.72 4.85 0.00 1.62 1.36 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.56 4.58 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 0.00 0.00 0.00 122 G 8.97 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 0.00 123 V 7.93 5.03 1.93 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 0.86 0.00 0.00 0.92 0.00 0.00 124 F 9.47 4.90 0.00 3.10 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 0.00 125 Q 9.00 4.80 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 126 L 9.33 4.96 0.00 1.55 1.45 0.70 0.60 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 0.00 127 E 9.09 5.11 0.00 1.87 1.81 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 2.24 2.24 0.00 128 K 8.57 4.21 0.00 1.73 1.73 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.57 7.81 129 G 9.38 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 0.00 0.00 0.00 130 D 7.89 4.64 0.00 2.79 2.50 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 0.00 131 R 8.92 5.10 0.00 1.70 1.78 0.00 3.05 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 132 L 8.47 5.28 0.00 1.58 1.61 0.72 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 133 S 9.16 5.07 0.00 3.88 3.66 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 0.00 134 A 8.54 4.70 -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 0.00 0.00 0.00 135 E 9.42 4.91 0.00 1.88 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 2.24 2.22 0.00 136 I 8.33 5.69 2.27 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 1.07 1.81 1.03 0.00 0.00 137 N 9.06 4.65 0.00 2.74 2.99 0.00 0.00 5.83 7.94 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 0.00 138 R 7.82 4.70 0.00 1.94 2.03 0.00 3.24 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 139 P 0.00 4.38 0.00 2.42 2.32 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 140 D 8.01 4.33 0.00 2.62 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 0.00 141 Y 8.05 4.76 0.00 3.48 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.63 4.32 0.00 1.85 1.47 1.00 0.88 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 0.00 143 D 8.83 4.54 0.00 2.49 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 0.00 144 F 7.18 5.00 0.00 3.05 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 0.00 145 A 8.35 4.08 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 0.00 146 E 7.81 4.87 0.00 1.96 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 2.11 1.85 0.00 147 S 8.40 4.45 0.00 3.92 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 0.00 148 G 9.11 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.03 4.29 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 150 V 7.85 4.76 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 1.00 0.00 0.00 0.98 0.00 0.00 151 Y 8.54 5.67 0.00 3.04 3.14 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 0.00 152 F 9.27 5.14 0.00 1.51 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 0.00 153 G 8.43 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 0.00 0.00 0.00 154 I 8.12 5.48 1.86 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.30 0.52 0.00 0.00 155 I 8.20 4.86 1.98 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 1.32 1.22 1.12 0.00 0.00 156 A 8.42 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 L 8.37 3.98 0.00 1.30 1.44 0.93 0.85 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 * Residues marked with a * may have inaccurate shift predictions.