NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.2553 8.2644 123.5794 52.0342 18.8012 174.2564 24 D 4.4765 7.9704 119.5207 52.8254 43.0196 174.6778 25 G 3.9761 8.3270 115.8641 46.5627 0.0000 173.6868 26 D 4.5603 8.7317 123.5180 53.5152 39.5134 174.6581 27 K 4.2486 7.7295 118.9765 55.4496 32.9625 174.8350 28 P 4.8924 0.0000 0.0000 63.1852 32.7832 175.5842 29 R 5.3170 8.6668 119.7147 55.6005 34.9055 173.7647 30 A 4.5360 8.9902 123.8375 50.9186 23.4615 174.5065 31 H 4.6128 7.1699 122.2885 54.2271 32.3788 172.5007 32 L 5.0956 8.5303 126.5107 53.0564 44.8093 175.7321 33 T 5.4945 8.7276 111.2793 59.6679 72.5314 173.6379 34 V 3.9733 8.3902 121.6817 62.0384 32.4605 175.5079 35 V 4.4037 7.6108 113.7318 59.7426 35.6707 174.2515 36 R 3.3425 8.3293 121.3123 56.3987 29.8281 176.0020 37 Q 3.9165 8.0852 125.4902 55.7698 29.3551 176.2930 38 T 4.3086 8.2637 112.9803 59.2330 70.4632 172.5789 39 P 3.9730 0.0000 0.0000 63.3131 31.2860 175.8286 *47 F 4.8006 8.4820 120.1593 56.3477 39.8561 172.9470 48 P 4.4365 0.0000 0.0000 63.3842 32.0149 175.1646 49 A 5.6261 8.3270 123.6170 50.6422 19.7219 177.2730 50 L 4.3319 8.4992 121.5577 54.7073 42.7342 175.8712 51 H 5.1434 8.7496 116.6107 53.6322 31.1906 173.4873 52 W 5.2238 8.8107 118.5473 54.6866 33.0636 175.2618 53 E 4.3584 8.9049 123.0267 56.8711 29.8683 177.2989 54 H 4.9843 8.5891 115.5564 55.7944 31.7105 174.3045 55 E 4.5706 8.1977 114.4640 56.8808 33.1842 175.7045 56 L 4.4133 8.5980 119.3268 54.4178 43.7847 179.8450 57 G 3.8786 8.0609 110.3369 47.3863 0.0000 175.8829 58 L 4.3640 9.6040 124.9704 54.8253 41.8701 176.4127 59 A 4.7014 7.7291 120.9071 51.9699 19.4864 176.5818 60 F 5.2982 8.3340 112.1119 57.3360 41.4535 173.0419 61 T 5.3619 8.7827 109.5139 60.2659 71.4804 172.6510 62 K 4.5886 9.2528 121.1579 55.4257 36.7601 174.8197 63 N 3.9656 9.6906 115.1791 54.7465 35.8873 175.4282 64 R 4.1900 8.2470 111.7270 56.2931 27.8020 176.4628 65 M 4.4383 7.4611 116.8930 54.9383 33.0168 175.2673 66 N 4.9655 8.7648 121.0628 51.9579 41.9588 172.2941 67 Y 5.1578 8.6886 127.8148 56.6870 39.9500 174.5906 68 T 3.9826 8.5728 120.9638 61.6755 70.8457 172.8708 69 N 3.8584 8.9634 125.4426 54.8647 37.0723 174.6513 70 K 4.3094 7.8841 112.3195 56.5148 29.9805 175.8183 71 F 5.6284 7.5029 117.6539 55.7072 42.8766 173.9042 72 L 4.9837 9.7793 124.6593 53.7597 43.9432 174.8280 73 L 4.9054 9.1884 129.9170 53.2360 43.8931 175.4125 74 I 4.1226 8.3782 129.0920 60.7857 37.6848 175.0922 75 P 4.7740 0.0000 0.0000 62.5730 31.9336 175.2573 76 E 4.6900 7.5057 119.1161 55.2966 32.9741 174.7164 77 S 4.6738 8.9108 122.8187 58.2637 63.9543 174.1000 78 G 3.9053 8.3303 109.1013 46.8988 0.0000 170.2165 79 D 5.4883 7.8597 119.2328 53.1989 42.7409 175.7038 80 Y 4.9270 9.7585 121.6672 56.1792 41.5728 174.2940 81 F 5.0804 8.7266 124.5576 56.6307 41.8326 174.5378 82 I 4.9601 7.7611 125.9752 59.7913 40.8085 173.9706 83 Y 5.2093 8.7723 122.6370 56.4472 41.7719 173.3973 84 S 5.0901 8.9332 114.3274 57.4028 66.6984 172.5487 85 Q 5.0530 8.3889 126.6175 54.2051 31.8366 174.1051 86 V 4.4134 8.5992 125.7919 61.3014 34.4067 174.1731 87 T 4.8911 9.1105 125.3187 62.3610 70.5006 173.6646 88 F 5.4563 10.2643 125.0190 55.8358 41.8728 174.8983 89 R 4.3665 8.9940 118.4821 54.0757 32.7020 175.1232 90 G 3.1518 7.0668 108.8947 45.6506 0.0000 173.7642 *106 K 4.3450 8.5563 117.5949 54.9840 33.7453 174.1061 107 P 4.8957 0.0000 0.0000 60.9901 34.0323 174.8504 108 D 4.5048 8.4547 117.9256 56.6069 41.3632 176.7387 109 S 5.0051 7.4672 110.1271 57.0849 65.8138 173.6503 110 I 4.6108 8.2716 114.5425 58.9938 40.7891 174.5530 111 T 5.1644 7.7121 118.2422 62.5510 73.2137 172.7237 112 V 4.9703 9.7151 126.7503 61.1320 35.0607 174.3463 113 V 5.0923 9.3176 126.1362 61.2607 35.1310 173.9044 114 I 4.8010 8.5696 128.1574 60.0006 39.6531 174.8592 115 T 4.9326 8.7213 122.3217 61.7664 73.1441 172.6007 116 K 4.9701 9.3320 127.4686 54.6656 34.9328 174.9779 117 V 4.6283 8.8563 126.2944 61.3213 34.2753 174.0582 118 T 4.8697 8.2498 120.7891 60.3581 70.6237 174.1983 119 D 4.4782 8.8173 125.3902 56.4812 41.4389 177.7425 120 S 4.1677 7.7235 113.4840 61.5462 62.1872 174.7299 121 Y 4.2311 8.0090 117.7166 58.0623 39.0231 174.5960 122 P 4.2907 0.0000 0.0000 64.6072 31.8386 175.4247 123 E 4.0823 8.2704 119.4814 56.0011 29.7176 175.0110 124 P 4.6351 0.0000 0.0000 62.5072 33.2153 175.4069 125 T 4.4487 8.7130 117.1632 61.8269 72.2489 172.9981 126 Q 4.4831 8.5241 124.6479 54.7530 29.4786 175.2498 127 L 4.1671 8.3106 125.0104 56.3861 42.8708 177.7707 128 L 4.8245 7.5403 117.5422 53.1582 46.1271 175.1897 129 M 5.6001 8.2193 122.5789 52.6917 34.9165 174.6656 130 G 4.0610 8.7835 114.5140 45.5374 0.0000 171.7480 131 T 5.3238 8.5320 120.7497 59.8894 70.1439 172.9190 132 K 4.6782 9.0567 129.1962 54.7296 35.8317 175.4934 133 S 4.7593 8.6564 122.1109 58.1785 64.1097 173.4242 134 V 3.9406 7.9469 122.2128 61.3156 33.2359 175.2887 135 C 4.4219 8.0738 125.1630 58.0624 28.4995 174.1185 136 E 4.0756 8.2941 127.6347 55.9755 29.1684 178.5667 137 V 3.9653 8.1440 119.9495 64.7570 30.9759 175.0925 138 G 4.4855 7.6426 123.4087 44.9489 0.0000 172.2556 139 S 4.6052 7.7203 117.8060 56.1838 62.4033 173.8316 140 N 4.7600 7.8467 122.7311 52.4075 38.9559 173.4323 141 W 4.8563 7.4954 122.0992 54.3479 32.2669 174.0566 142 F 5.6113 7.8137 112.9587 56.3159 39.5827 173.5680 143 Q 4.9550 10.1588 120.2761 53.7684 32.7434 172.9254 144 P 4.6205 0.0000 0.0000 62.8569 32.9259 175.6916 145 I 4.8557 8.7564 121.4315 59.9785 41.3893 173.5864 146 Y 5.1532 8.8831 127.0850 55.8357 41.5283 174.2516 147 L 4.9207 8.6093 125.8040 53.1933 45.9798 175.7248 148 G 4.8490 8.5826 106.1348 45.1963 0.0000 172.0257 149 A 4.6657 7.7011 123.8532 51.0960 23.1418 173.9635 150 M 4.8619 7.9706 117.8869 54.6294 33.7972 175.3882 151 F 4.9759 9.3649 122.5758 56.1371 44.3330 173.6022 152 S 5.2884 8.7763 117.9871 57.2195 63.6263 173.6352 153 L 4.9540 9.1377 124.9548 52.7054 45.5656 176.4542 154 Q 4.3372 8.8664 121.4031 55.1960 29.5391 175.3906 155 E 4.1495 9.2023 123.7337 58.4069 29.9162 177.3507 156 G 3.9972 9.3303 115.1915 45.1292 0.0000 173.5807 157 D 4.6425 8.0603 119.6847 54.2906 42.3254 175.4246 158 K 4.9974 8.9119 120.2556 54.5794 35.3478 175.3036 159 L 5.4612 8.8851 123.3575 53.3087 45.6187 175.4966 160 M 5.1763 9.1374 119.1089 54.0504 35.6023 173.5388 161 V 4.7115 8.3047 118.6567 61.2146 34.4930 173.9279 162 N 5.6317 9.4915 123.9837 51.6486 40.9966 173.8397 163 V 5.0249 8.2916 115.0536 59.2044 35.6466 176.8997 164 S 2.9219 8.4181 116.5357 60.9974 64.3004 173.5300 165 D 4.1111 7.5071 116.7515 53.2905 42.4112 175.3932 166 I 3.8216 8.1966 128.8506 63.6827 38.1988 177.6818 167 S 4.3493 8.0365 113.2890 59.7499 63.3651 174.7767 168 L 4.3120 8.4469 121.4010 55.4423 41.9829 176.5340 169 V 4.0619 7.2626 119.4147 61.7257 32.1858 174.9478 170 D 4.2406 8.5283 127.3513 54.0579 40.6747 175.3678 171 Y 4.5034 7.3963 124.3128 56.9451 38.8315 176.7329 172 T 3.8783 8.2574 112.3948 63.8607 69.5451 175.0461 173 K 4.6739 7.5087 120.4361 53.8892 34.9039 176.4985 174 E 4.4207 8.8041 118.6896 57.6821 30.0133 176.8697 175 D 5.1510 8.1085 117.9824 53.2312 39.9454 176.4749 176 K 4.4576 7.8816 118.9114 57.5192 34.1819 176.7274 177 T 4.7039 7.5378 115.1229 61.6689 71.9716 173.5702 178 F 5.8179 8.6969 120.5015 57.1661 42.0802 172.3249 179 F 5.0302 8.9617 117.2517 57.6938 42.9267 173.0807 180 G 3.5115 8.9274 112.0534 45.6215 0.0000 171.6319 181 A 5.2185 8.5361 122.4218 50.4976 23.0927 175.3918 182 F 5.6935 8.5552 115.0184 54.9579 42.0982 173.5619 183 L 3.6601 8.9293 123.2194 54.6422 42.5927 176.7878 184 L 4.4007 8.5592 125.6277 55.1290 41.1985 176.9062 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 23 A 8.26 4.26 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 24 D 7.97 4.48 0.00 2.70 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 25 G 8.33 3.98 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 0.00 0.00 0.00 26 D 8.73 4.56 0.00 2.95 2.90 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 27 K 7.73 4.25 0.00 1.81 1.84 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 28 P 0.00 4.89 0.00 2.38 2.12 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 29 R 8.67 5.32 0.00 1.98 2.17 0.00 3.21 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 30 A 8.99 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.17 4.61 0.00 2.95 2.62 0.00 5.74 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.53 5.10 0.00 0.88 1.37 0.05 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.73 5.49 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 1.35 0.00 0.00 34 V 8.39 3.97 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 0.82 0.00 0.00 0.66 0.00 0.00 35 V 7.61 4.40 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 nan 0.00 0.00 0.85 0.00 0.00 36 R 8.33 3.34 0.00 1.59 1.70 0.00 3.09 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.00 37 Q 8.09 3.92 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 38 T 8.26 4.31 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 1.17 0.00 0.00 39 P 0.00 3.97 0.00 2.17 2.10 0.00 3.74 0.00 0.00 3.60 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 *47 F 8.48 4.80 0.00 2.91 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 48 P 0.00 4.44 0.00 2.07 2.18 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.94 0.00 49 A 8.33 5.63 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 50 L 8.50 4.33 0.00 1.23 0.76 0.57 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.75 5.14 0.00 3.26 3.27 0.00 5.70 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 52 W 8.81 5.22 0.00 2.56 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 53 E 8.90 4.36 0.00 2.15 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 2.37 2.36 0.00 54 H 8.59 4.98 0.00 3.25 3.31 0.00 5.47 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 55 E 8.20 4.57 0.00 2.02 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 0.00 1.92 2.36 0.00 56 L 8.60 4.41 0.00 1.84 1.65 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.06 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 58 L 9.60 4.36 0.00 1.76 1.81 0.95 0.80 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 59 A 7.73 4.70 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.33 5.30 0.00 3.08 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 61 T 8.78 5.36 4.34 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 1.24 0.00 0.00 62 K 9.25 4.59 0.00 1.87 2.00 0.00 1.06 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.76 1.51 7.81 63 N 9.69 3.97 0.00 3.02 3.07 0.00 0.00 7.14 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 64 R 8.25 4.19 0.00 1.98 2.31 0.00 3.23 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 65 M 7.46 4.44 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.72 0.00 66 N 8.76 4.97 0.00 2.78 2.65 0.00 0.00 6.55 7.36 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 67 Y 8.69 5.16 0.00 2.93 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 68 T 8.57 3.98 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 1.24 0.00 0.00 69 N 8.96 3.86 0.00 2.81 2.89 0.00 0.00 7.17 6.68 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 70 K 7.88 4.31 0.00 1.51 1.82 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.41 7.81 71 F 7.50 5.63 0.00 3.17 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 72 L 9.78 4.98 0.00 1.63 1.44 0.91 0.01 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 73 L 9.19 4.91 0.00 1.79 1.52 0.90 0.18 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 74 I 8.38 4.12 1.82 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.83 0.00 0.00 75 P 0.00 4.77 0.00 2.22 2.41 0.00 3.86 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 2.05 2.01 0.00 76 E 7.51 4.69 0.00 2.18 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 2.29 2.31 0.00 77 S 8.91 4.67 0.00 3.85 3.89 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 0.00 0.00 0.00 78 G 8.33 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 79 D 7.86 5.49 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 9.76 4.93 0.00 2.80 2.84 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 81 F 8.73 5.08 0.00 3.02 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 0.00 0.00 0.00 82 I 7.76 4.96 2.01 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 1.21 0.34 0.88 0.00 0.00 83 Y 8.77 5.21 0.00 3.10 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 84 S 8.93 5.09 0.00 3.86 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.39 5.05 0.00 2.46 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 86 V 8.60 4.41 1.69 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 -0.06 0.00 0.00 0.79 0.00 0.00 87 T 9.11 4.89 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 1.16 0.00 0.00 88 F 10.26 5.46 0.00 3.39 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.99 4.37 0.00 1.67 1.83 0.00 2.93 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 90 G 7.07 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 0.00 0.00 0.00 *106 K 8.56 4.35 0.00 1.83 1.94 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.50 7.81 107 P 0.00 4.90 0.00 2.13 2.06 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 108 D 8.45 4.50 0.00 2.69 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 0.00 109 S 7.47 5.01 0.00 3.87 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 0.00 110 I 8.27 4.61 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.38 0.37 0.00 0.00 111 T 7.71 5.16 4.31 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 1.44 0.00 0.00 112 V 9.72 4.97 2.14 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 0.98 0.00 0.00 1.11 0.00 0.00 113 V 9.32 5.09 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 0.98 0.00 0.00 1.07 0.00 0.00 114 I 8.57 4.80 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.76 0.00 0.00 115 T 8.72 4.93 4.34 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 1.20 0.00 0.00 116 K 9.33 4.97 0.00 1.57 1.43 0.00 1.65 0.00 0.00 1.43 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 1.21 7.81 117 V 8.86 4.63 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 0.71 0.00 0.00 0.88 0.00 0.00 118 T 8.25 4.87 4.43 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 1.25 0.00 0.00 119 D 8.82 4.48 0.00 2.69 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 0.00 120 S 7.72 4.17 0.00 3.84 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 0.00 121 Y 8.01 4.23 0.00 2.93 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 0.00 122 P 0.00 4.29 0.00 2.11 2.07 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 123 E 8.27 4.08 0.00 2.47 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 2.44 2.38 0.00 124 P 0.00 4.64 0.00 2.02 2.01 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 125 T 8.71 4.45 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 0.97 0.00 0.00 126 Q 8.52 4.48 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.97 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 127 L 8.31 4.17 0.00 1.24 0.50 0.24 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.54 4.82 0.00 1.50 1.52 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 129 M 8.22 5.60 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 130 G 8.78 4.06 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 0.00 131 T 8.53 5.32 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 0.00 132 K 9.06 4.68 0.00 1.81 1.51 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.37 7.81 133 S 8.66 4.76 0.00 3.71 3.68 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 0.00 134 V 7.95 3.94 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 -0.56 0.00 0.00 0.65 0.00 0.00 135 C 8.07 4.42 0.00 2.83 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 0.00 136 E 8.29 4.08 0.00 2.04 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 2.22 2.19 0.00 137 V 8.14 3.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 138 G 7.64 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.72 4.61 0.00 4.29 4.01 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 0.00 140 N 7.85 4.76 0.00 2.74 2.79 0.00 0.00 7.09 7.95 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 0.00 141 W 7.50 4.86 0.00 3.37 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 0.00 142 F 7.81 5.61 0.00 3.10 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 0.00 143 Q 10.16 4.96 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 144 P 0.00 4.62 0.00 2.26 2.12 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 145 I 8.76 4.86 2.10 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 1.28 1.12 1.05 0.00 0.00 146 Y 8.88 5.15 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 0.00 147 L 8.61 4.92 0.00 1.43 1.47 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.58 4.85 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 0.00 0.00 0.00 149 A 7.70 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 M 7.97 4.86 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 151 F 9.36 4.98 0.00 2.92 2.89 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 0.00 0.00 0.00 152 S 8.78 5.29 0.00 3.84 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 0.00 153 L 9.14 4.95 0.00 1.59 1.47 0.74 0.93 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 0.00 154 Q 8.87 4.34 0.00 2.49 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 155 E 9.20 4.15 0.00 1.95 1.91 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 2.34 2.23 0.00 156 G 9.33 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 0.00 157 D 8.06 4.64 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.91 5.00 0.00 1.34 0.74 0.00 1.30 0.00 0.00 1.02 0.00 0.00 2.32 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.50 1.05 7.81 159 L 8.89 5.46 0.00 1.61 1.67 0.78 0.47 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 0.00 160 M 9.14 5.18 0.00 2.43 2.18 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 161 V 8.30 4.71 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 -0.23 0.00 0.00 162 N 9.49 5.63 0.00 2.72 2.94 0.00 0.00 6.61 7.55 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 0.00 163 V 8.29 5.02 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 0.85 0.00 0.00 0.86 0.00 0.00 164 S 8.42 2.92 0.00 3.68 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 0.00 165 D 7.51 4.11 0.00 2.59 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.20 3.82 1.81 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 1.36 1.08 0.86 0.00 0.00 167 S 8.04 4.35 0.00 4.05 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 0.00 168 L 8.45 4.31 0.00 2.03 1.97 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.26 4.06 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 0.50 0.00 0.00 0.81 0.00 0.00 170 D 8.53 4.24 0.00 2.48 2.39 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 0.00 171 Y 7.40 4.50 0.00 3.05 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 0.00 172 T 8.26 3.88 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 0.74 0.00 0.00 173 K 7.51 4.67 0.00 1.72 1.84 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.27 7.81 174 E 8.80 4.42 0.00 2.20 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 0.00 2.33 2.37 0.00 175 D 8.11 5.15 0.00 2.90 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 0.00 176 K 7.88 4.46 0.00 1.75 1.80 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.34 7.81 177 T 7.54 4.70 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 1.12 0.00 0.00 178 F 8.70 5.82 0.00 3.17 3.33 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 0.00 179 F 8.96 5.03 0.00 2.00 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 0.00 180 G 8.93 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.54 5.22 0.96 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 0.00 182 F 8.56 5.69 0.00 3.25 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 0.00 183 L 8.93 3.66 0.00 1.50 1.58 -0.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.56 4.40 0.00 1.72 1.60 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.