NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.7944 8.4449 120.3868 55.9688 30.9825 172.3456 13 Q 4.2210 8.2734 125.0259 52.9631 31.8290 173.8896 14 A 4.2198 8.4254 124.9490 51.7406 20.0912 176.8885 15 I 3.8328 8.1898 120.0475 60.9179 38.9503 176.5484 16 S 4.5480 8.3057 120.9722 57.2171 65.5561 173.5553 17 P 4.2893 0.0000 0.0000 65.8831 31.1159 179.0020 18 R 3.9732 7.9466 117.1453 59.6645 30.0626 178.5999 19 T 3.9816 8.0104 115.6825 66.4139 68.3990 176.9012 20 L 4.1422 8.0745 121.0298 57.6760 41.5962 178.8144 21 N 4.2413 8.6416 117.2374 56.7594 38.8779 176.3183 22 A 4.0129 7.8058 121.4909 55.2989 18.5089 179.4707 23 W 4.3584 8.3822 126.5440 60.5364 30.7654 178.1740 24 V 3.2702 8.2464 118.6888 66.0586 30.8194 178.1629 25 K 3.8915 8.1979 118.1492 59.2434 31.7193 179.5829 26 V 3.4772 7.5975 118.5203 66.0429 31.6004 178.3056 27 V 2.9732 6.8751 117.7726 65.4585 30.9454 177.3355 28 E 3.7641 7.5399 118.3041 60.1098 29.5387 177.7799 29 E 3.9261 7.7236 118.7444 58.2850 29.7245 178.0833 30 K 3.8283 7.7871 119.0245 55.7449 32.6527 179.2672 31 A 3.3825 7.8992 120.3738 53.2279 17.7577 179.3857 32 F 5.0023 8.5808 114.1575 58.2416 39.6216 174.5636 33 S 4.5900 7.6981 115.2374 56.9103 64.8320 173.9921 34 P 4.3447 0.0000 0.0000 66.0540 30.4891 178.5665 35 E 4.1803 8.0020 115.7348 58.6181 29.2753 179.3749 36 V 3.8914 7.8691 119.5381 64.4982 31.1670 178.6577 37 I 3.8650 7.7691 120.3810 63.9733 37.1082 176.1922 38 P 4.2990 0.0000 0.0000 66.0572 31.1394 178.5247 39 M 4.1210 7.8823 116.0309 58.3452 32.0021 178.4790 40 F 3.8136 8.8836 121.2004 61.5002 39.3265 177.2800 41 S 3.9677 8.2989 113.4474 61.4822 62.7505 176.3701 42 A 4.0795 7.8663 123.4475 55.0646 18.0343 179.6033 43 L 4.0452 7.6920 116.0415 56.5321 41.8924 178.6583 44 S 4.4183 7.0499 113.0709 56.6591 63.0264 173.3731 45 E 3.9380 7.2148 122.6757 58.2810 29.3520 177.1519 46 G 3.7978 8.8634 111.1232 46.0700 0.0000 173.3153 47 A 4.2175 7.6049 122.7332 51.7245 19.1410 178.4518 48 T 4.2480 8.3818 111.7018 60.2388 71.4515 174.2564 49 P 4.4462 0.0000 0.0000 66.1568 31.2641 178.4225 50 Q 4.0138 8.6190 118.1492 59.5208 28.8181 178.4072 51 D 4.8977 8.1608 120.9893 56.8561 40.8592 178.6039 52 L 3.8991 7.9336 119.4933 58.0842 41.5564 179.4812 53 N 4.5168 8.4061 116.5611 56.3829 38.0954 177.6289 54 T 3.9336 8.2050 111.4476 65.0777 68.5944 176.4873 55 M 4.1800 8.0949 120.8526 58.2798 32.2113 178.5465 56 L 4.4339 8.1453 118.8700 57.6541 41.5750 179.1784 57 N 4.5332 8.4925 116.1666 56.0948 38.5233 176.8517 58 T 4.3291 7.6391 113.1873 63.3211 67.8467 174.5430 59 V 3.8074 7.6288 120.1124 62.3516 30.2558 175.0805 60 G 4.0390 8.3307 115.3224 44.9686 0.0000 171.6893 61 G 3.8749 8.9101 107.8380 46.3879 0.0000 173.7152 62 H 4.9335 7.7111 113.7583 53.6718 30.0231 174.9731 63 Q 3.9687 8.3783 122.4042 59.4393 29.1322 177.0214 64 A 4.0031 8.0516 120.7199 55.2855 18.5853 179.3112 65 A 3.9779 8.0238 118.7627 55.6188 18.3931 179.6036 66 M 4.0570 8.3369 117.3399 58.5023 31.9237 178.7862 67 Q 3.9806 8.2395 119.8990 59.1070 29.1946 177.8793 68 M 4.0140 8.0092 119.9792 58.2846 31.9254 178.4570 69 L 3.9083 7.9174 120.2498 58.1315 42.2145 179.0499 70 K 3.9822 8.2557 118.5512 59.6604 31.9838 179.1447 71 E 3.9580 8.4290 118.8398 59.6325 29.2751 179.5239 72 T 3.8434 7.9497 115.7867 66.6731 68.4353 176.7330 73 I 3.8185 8.0742 121.8912 64.5576 37.1692 178.2548 74 N 4.2861 8.4455 117.5613 56.2355 38.3829 177.4055 75 E 3.8432 8.2076 119.9184 59.5592 29.5281 179.3443 76 E 3.5882 8.2029 118.6873 58.7849 29.2601 179.2956 77 A 3.3539 7.5027 120.9897 54.9673 18.4557 179.5858 78 A 3.9480 7.7831 119.2876 55.0889 18.3582 179.5364 79 E 3.8004 7.9845 117.8561 58.9975 29.6034 178.6323 80 W 4.1765 8.3267 128.7075 60.8564 30.5428 177.5202 81 D 4.4848 8.1717 117.1907 57.4861 40.3215 178.5676 82 R 3.9851 7.6835 118.1676 59.1935 30.2445 177.9342 83 L 4.3461 7.5404 115.8338 54.9101 42.8355 176.9432 84 H 4.5409 7.1980 115.7650 52.6052 29.3204 171.0626 85 P 4.4115 0.0000 0.0000 61.6518 32.2695 177.4029 86 V 3.5996 8.2093 120.0724 62.9713 31.9539 175.9082 87 A 4.2847 8.3506 129.5331 51.7041 19.1120 176.9756 88 M 4.1037 8.4471 119.5842 55.5068 32.5868 176.4801 89 A 4.6246 8.2454 125.7174 50.0020 20.8465 175.0479 90 P 4.5226 0.0000 0.0000 62.0157 32.4183 176.3786 91 I 3.8745 8.0672 120.3785 60.6116 38.9465 175.4584 92 A 4.2362 8.3483 128.4326 50.8943 19.0918 175.3038 93 P 4.3703 0.0000 0.0000 64.4016 31.7880 177.3348 94 G 4.0618 8.8519 109.9548 45.8324 0.0000 173.7066 95 Q 4.4312 7.7568 117.8226 55.0001 30.0990 174.6189 96 M 4.6151 8.1230 119.4959 53.1978 34.2890 175.8546 97 R 4.2019 8.5277 120.9118 56.5158 30.0180 175.4838 98 E 4.4802 8.5018 118.1490 54.3208 30.6056 175.0201 99 P 4.0525 0.0000 0.0000 62.7020 31.9270 176.4473 100 R 4.5432 9.5106 121.1582 54.9785 31.8639 177.8848 101 G 3.8117 10.1838 106.6249 48.4092 0.0000 176.1741 102 S 4.2440 8.0710 116.0046 60.6783 62.8934 176.1847 103 D 4.3659 7.9260 123.2034 57.3898 40.3918 178.6451 104 I 3.3491 7.2822 118.4506 63.9214 37.2220 177.5087 105 A 2.5800 7.5067 118.5431 51.8268 18.4045 178.3566 106 G 3.9148 7.4442 106.5579 45.2894 0.0000 175.1641 107 T 4.0727 7.5136 109.4488 63.9310 69.0257 175.5387 108 T 4.6166 7.9106 109.2701 60.7019 69.3897 172.9672 109 S 4.9507 8.0029 115.3797 56.9456 66.0250 173.4525 110 T 4.4779 7.9159 111.9626 60.0383 71.8866 175.4655 111 L 3.8780 8.1352 121.7538 58.2905 41.9859 178.7370 112 Q 3.9356 7.8745 117.6861 58.5986 28.6146 178.0635 113 E 3.2983 8.3637 120.0186 59.3335 29.0685 179.2287 114 Q 4.2319 8.4326 118.1994 59.3079 28.9351 179.4292 115 I 3.7872 8.0252 121.0744 64.2159 37.1213 178.4676 116 G 3.6948 8.1463 106.9820 47.8982 0.0000 175.7111 117 W 4.4314 7.8208 121.0791 59.7318 28.8391 178.5334 118 M 4.1328 7.8419 117.4606 57.7973 31.2039 178.2187 119 T 4.1775 7.7200 109.6561 63.2883 69.8989 175.0991 120 H 3.9456 7.7549 118.3372 55.9340 29.2863 174.1011 121 N 4.5875 8.4863 121.3142 51.5478 38.3484 172.8258 122 P 4.6775 0.0000 0.0000 60.8289 32.7454 174.1938 123 P 5.1710 0.0000 0.0000 61.3646 32.5349 175.7438 124 I 4.2840 8.7246 121.7727 59.5689 37.6183 175.6980 125 P 4.6092 0.0000 0.0000 61.4320 28.5565 176.5987 126 V 3.3384 7.7150 118.6038 65.1267 31.8710 178.1065 127 G 3.6738 7.8592 106.3417 47.1478 0.0000 175.5776 128 E 3.9149 7.9731 120.4233 59.0082 29.6473 179.1952 129 I 3.3729 7.6604 120.0231 64.4213 37.1143 177.6883 130 Y 3.4350 7.2847 120.1024 60.4730 38.4410 177.9940 131 K 3.7967 8.1368 120.6682 59.5265 32.1998 178.5624 132 R 3.9091 7.8436 118.7931 59.2238 30.0143 178.4185 133 W 4.5070 7.8265 118.1759 60.0430 29.1159 178.3996 134 I 3.6109 7.8944 119.6122 64.6322 36.4353 178.6144 135 I 3.7981 8.0472 120.6741 64.1400 36.8621 178.5952 136 L 4.1019 8.1830 120.1507 57.7914 41.4883 179.7472 137 G 3.6026 8.2336 105.6751 47.8108 0.0000 175.7255 138 L 3.9381 8.3916 121.6973 57.5203 41.5834 179.2852 139 N 4.3758 8.4725 116.8453 56.1964 38.3531 177.2695 140 K 3.9444 7.9526 120.9458 59.4462 32.2303 178.9733 141 I 3.6889 7.8358 120.0886 64.4713 37.0255 178.5520 142 V 3.9036 8.2179 119.4988 66.1683 31.0850 178.0467 143 R 3.9314 7.9765 117.6513 59.3197 29.9458 177.9601 144 M 4.0246 7.6875 117.3007 58.4777 32.4156 177.1897 145 Y 4.3860 8.0669 114.4897 58.5064 38.6175 175.8019 146 S 4.3139 8.2572 119.3047 58.3839 63.3617 173.6495 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 12 H 8.44 4.79 0.00 3.07 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.27 4.22 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 14 A 8.43 4.22 1.23 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 0.00 0.00 15 I 8.19 3.83 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 1.46 0.82 0.92 0.00 0.00 16 S 8.31 4.55 0.00 4.08 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 17 P 0.00 4.29 0.00 2.19 2.16 0.00 3.60 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 2.12 2.16 0.00 18 R 7.95 3.97 0.00 1.92 1.93 0.00 3.23 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 19 T 8.01 3.98 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 1.19 0.00 0.00 20 L 8.07 4.14 0.00 1.89 1.82 0.97 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.64 4.24 0.00 2.73 3.09 0.00 0.00 7.10 7.50 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 22 A 7.81 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.38 4.36 0.00 3.38 3.35 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 0.00 0.00 0.00 0.00 24 V 8.25 3.27 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 0.91 0.00 0.00 0.99 0.00 0.00 25 K 8.20 3.89 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.58 7.81 26 V 7.60 3.48 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 0.95 0.00 0.00 1.04 0.00 0.00 27 V 6.88 2.97 1.50 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 0.33 0.00 0.00 -0.25 0.00 0.00 28 E 7.54 3.76 0.00 2.07 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 2.25 2.25 0.00 29 E 7.72 3.93 0.00 1.86 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 2.28 2.33 0.00 30 K 7.79 3.83 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.56 7.81 31 A 7.90 3.38 0.92 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 32 F 8.58 5.00 0.00 2.97 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 33 S 7.70 4.59 0.00 4.07 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 34 P 0.00 4.34 0.00 2.21 2.21 0.00 3.64 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 2.16 2.25 0.00 35 E 8.00 4.18 0.00 2.12 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 0.00 2.35 2.39 0.00 36 V 7.87 3.89 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 1.24 0.00 0.00 1.15 0.00 0.00 37 I 7.77 3.86 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.78 0.99 0.00 0.00 38 P 0.00 4.30 0.00 2.21 2.16 0.00 3.83 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 2.17 2.24 0.00 39 M 7.88 4.12 0.00 2.30 2.47 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 2.71 2.86 0.00 40 F 8.88 3.81 0.00 3.15 3.23 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 41 S 8.30 3.97 0.00 4.04 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 42 A 7.87 4.08 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 43 L 7.69 4.05 0.00 1.39 1.65 1.18 0.95 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 44 S 7.05 4.42 0.00 3.53 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.21 3.94 0.00 1.97 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 2.29 2.31 0.00 46 G 8.86 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 47 A 7.60 4.22 1.23 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 0.00 0.00 48 T 8.38 4.25 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 49 P 0.00 4.45 0.00 2.32 2.27 0.00 3.82 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 2.09 2.18 0.00 50 Q 8.62 4.01 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 51 D 8.16 4.90 0.00 2.85 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 52 L 7.93 3.90 0.00 1.96 1.53 0.90 0.59 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 53 N 8.41 4.52 0.00 2.98 2.96 0.00 0.00 6.81 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 54 T 8.21 3.93 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 1.25 0.00 0.00 55 M 8.09 4.18 0.00 1.48 2.17 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.40 0.00 56 L 8.15 4.43 0.00 1.80 1.82 0.88 0.53 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 57 N 8.49 4.53 0.00 2.90 2.95 0.00 0.00 6.96 7.48 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 58 T 7.64 4.33 4.67 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 1.42 0.00 0.00 59 V 7.63 3.81 2.30 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 0.84 0.00 0.00 1.19 0.00 0.00 60 G 8.33 4.04 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 0.00 0.00 0.00 61 G 8.91 3.87 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 0.00 0.00 0.00 62 H 7.71 4.93 0.00 3.31 3.40 0.00 5.84 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.38 3.97 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 64 A 8.05 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.02 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.34 4.06 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.97 0.00 67 Q 8.24 3.98 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 68 M 8.01 4.01 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.55 0.00 69 L 7.92 3.91 0.00 1.70 1.85 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.26 3.98 0.00 2.01 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.68 7.81 71 E 8.43 3.96 0.00 2.14 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 2.33 2.49 0.00 72 T 7.95 3.84 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 1.26 0.00 0.00 73 I 8.07 3.82 2.16 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.98 1.23 0.00 0.00 74 N 8.45 4.29 0.00 2.84 2.84 0.00 0.00 7.08 8.37 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 75 E 8.21 3.84 0.00 2.05 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 2.28 2.39 0.00 76 E 8.20 3.59 0.00 1.16 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 0.00 0.00 0.00 2.29 2.26 0.00 77 A 7.50 3.35 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 78 A 7.78 3.95 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 79 E 7.98 3.80 0.00 2.14 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 2.28 2.34 0.00 80 W 8.33 4.18 0.00 3.74 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 81 D 8.17 4.48 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.68 3.99 0.00 1.94 2.03 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 83 L 7.54 4.35 0.00 1.26 1.34 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.20 4.54 0.00 2.70 2.99 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.41 0.00 2.13 2.02 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 86 V 8.21 3.60 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 0.82 0.00 0.00 0.96 0.00 0.00 87 A 8.35 4.28 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 88 M 8.45 4.10 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 89 A 8.25 4.62 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 90 P 0.00 4.52 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 91 I 8.07 3.87 1.91 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 1.39 0.72 0.93 0.00 0.00 92 A 8.35 4.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.37 0.00 2.05 2.04 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 94 G 8.85 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 95 Q 7.76 4.43 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 96 M 8.12 4.62 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 97 R 8.53 4.20 0.00 2.09 2.06 0.00 3.21 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.06 0.00 98 E 8.50 4.48 0.00 2.02 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 2.34 2.27 0.00 99 P 0.00 4.05 0.00 1.34 0.49 0.00 3.49 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.02 0.00 100 R 9.51 4.54 0.00 1.93 1.97 0.00 3.39 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 101 G 10.18 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.07 4.24 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.93 4.37 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 0.00 104 I 7.28 3.35 1.49 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 0.76 -0.15 -0.23 0.00 0.00 105 A 7.51 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.44 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 0.00 107 T 7.51 4.07 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 0.00 108 T 7.91 4.62 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 0.00 109 S 8.00 4.95 0.00 4.11 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.92 4.48 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 1.20 0.00 0.00 111 L 8.14 3.88 0.00 1.91 1.68 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.87 3.94 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 113 E 8.36 3.30 0.00 1.77 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 0.00 0.00 0.00 2.00 2.15 0.00 114 Q 8.43 4.23 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 115 I 8.03 3.79 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.99 0.87 0.00 0.00 116 G 8.15 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 0.00 0.00 0.00 117 W 7.82 4.43 0.00 3.54 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.84 4.13 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 119 T 7.72 4.18 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 1.32 0.00 0.00 120 H 7.75 3.95 0.00 3.43 3.56 0.00 5.59 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.49 4.59 0.00 2.67 2.78 0.00 0.00 7.07 7.69 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 0.00 122 P 0.00 4.68 0.00 2.12 2.01 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 123 P 0.00 5.17 0.00 2.22 2.20 0.00 3.38 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 124 I 8.72 4.28 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 0.68 0.00 0.00 125 P 0.00 4.61 0.00 2.22 2.20 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 126 V 7.71 3.34 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 0.44 0.00 0.00 1.04 0.00 0.00 127 G 7.86 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 0.00 0.00 0.00 0.00 128 E 7.97 3.91 0.00 2.07 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 0.00 2.35 2.31 0.00 129 I 7.66 3.37 1.26 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 0.08 0.00 0.00 130 Y 7.28 3.44 0.00 2.73 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 0.00 131 K 8.14 3.80 0.00 1.80 1.93 0.00 1.64 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.60 7.81 132 R 7.84 3.91 0.00 2.09 2.04 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 133 W 7.83 4.51 0.00 3.65 3.21 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 0.00 134 I 7.89 3.61 1.80 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.23 0.26 0.00 0.00 135 I 8.05 3.80 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 0.95 0.00 0.00 136 L 8.18 4.10 0.00 1.94 1.75 1.02 0.79 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 0.00 137 G 8.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.39 3.94 0.00 1.75 1.74 0.57 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.47 4.38 0.00 2.97 2.88 0.00 0.00 6.60 8.27 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 0.00 140 K 7.95 3.94 0.00 1.83 1.95 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 I 7.84 3.69 1.73 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 1.19 0.42 -0.14 0.00 0.00 142 V 8.22 3.90 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 1.11 0.00 0.00 1.18 0.00 0.00 143 R 7.98 3.93 0.00 1.92 2.23 0.00 3.31 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 144 M 7.69 4.02 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.02 0.00 145 Y 8.07 4.39 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.26 4.31 0.00 3.99 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