NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Y 4.3540 8.1449 118.3002 57.2794 39.6512 175.6133 8 F 4.8513 7.6740 116.7829 56.6482 39.5834 175.9343 9 K 4.0604 9.0503 124.5697 58.9259 32.8093 177.7284 10 R 4.4098 7.8194 114.4699 55.6517 31.2650 175.4573 11 L 4.3401 7.4208 120.8934 53.6071 42.6674 177.0741 12 S 4.3421 8.4441 121.5013 58.5016 64.9520 175.0182 13 D 4.3720 8.6774 123.0692 56.9816 40.5029 179.1145 14 R 3.5246 7.6102 119.4520 59.2340 29.9712 177.9911 15 E 3.9831 7.9254 117.7644 58.6848 29.4520 179.0953 16 R 3.9421 8.3168 119.3484 59.2530 30.1948 178.2755 17 A 4.0172 8.0720 120.6751 55.1793 18.3651 179.7679 18 I 3.6352 7.4726 118.3149 64.4521 37.2289 178.0537 19 F 4.3009 8.4902 121.8576 61.8384 39.0343 177.1829 20 E 3.8161 8.5780 117.7229 59.0526 29.2013 178.9321 21 A 4.0425 7.9609 120.9031 55.2174 18.3990 179.7326 22 G 3.5732 7.9026 103.7984 48.1397 0.0000 175.5264 23 I 3.5469 7.7512 123.3224 64.5006 37.0678 178.7301 24 T 3.9063 8.1095 116.4017 66.3112 68.1402 177.0989 25 L 4.0954 8.1746 121.2817 57.7308 41.7042 179.6980 26 G 3.6431 8.2599 105.5034 47.6791 0.0000 175.4900 27 A 4.0076 8.2637 123.4279 55.0261 18.3571 179.3036 28 I 3.8902 8.0998 118.5168 65.0724 37.3513 177.6122 29 Y 4.0680 8.4092 120.0161 61.3888 38.4379 178.0285 30 H 4.4643 8.3464 114.5208 57.8244 29.0995 177.1974 31 Q 3.8829 8.3656 121.6282 58.1670 29.0974 176.4894 32 F 4.7685 7.7351 117.2642 57.7894 41.2889 175.5805 33 C 4.3699 7.5341 118.2679 61.3648 28.1759 173.8300 34 G 4.0596 8.8177 112.7091 45.1873 0.0000 174.0686 35 T 4.0891 7.9913 117.7647 62.7965 69.3271 172.4746 36 P 5.1142 0.0000 0.0000 62.9560 32.0699 176.0921 37 V 4.7547 9.2944 123.0215 60.4929 35.4193 173.7516 38 S 4.9593 9.3603 115.8452 56.2136 66.5505 172.9765 39 P 4.1725 0.0000 0.0000 65.9057 30.9594 178.0013 40 G 3.8523 7.9315 103.1886 46.7369 0.0000 175.0027 41 T 4.0810 8.3405 117.9384 65.4115 68.5114 176.0236 42 A 4.4453 7.7303 121.2493 53.3258 20.5202 178.6104 43 E 3.8810 7.9174 116.7013 59.6944 29.7111 179.2300 44 E 3.9923 8.0532 118.1649 59.0380 29.5278 179.3991 45 V 3.4529 7.8718 118.2436 65.9372 31.6110 177.8316 46 A 3.8445 7.8234 120.4563 55.1790 18.1535 179.7708 47 K 3.8708 8.0027 116.8647 59.7719 32.0297 179.3888 48 C 4.1153 7.9431 116.9289 62.6672 28.0228 176.1005 49 I 3.0383 7.4677 121.3882 64.2551 36.5694 178.1003 50 E 3.9023 8.0715 119.1838 59.7659 29.1178 179.8864 51 R 3.9177 7.8870 116.2738 58.9223 30.4174 178.8127 52 A 4.1631 8.3640 120.8784 55.1846 18.5023 179.3201 53 A 4.0055 8.5004 119.6951 55.5278 18.2395 179.5957 54 L 4.1434 8.0999 115.5676 56.7539 41.7644 178.7903 55 L 4.2501 7.5901 117.6462 55.4267 42.3041 177.1544 56 Q 4.2837 7.4407 118.5462 54.2228 29.5688 173.6753 57 P 4.4007 0.0000 0.0000 64.5445 31.6989 177.0526 58 C 3.9106 8.9172 119.0655 59.8037 26.3221 172.9811 59 V 4.2347 7.6395 120.8892 62.6340 31.3385 175.3158 60 I 4.5575 8.2333 119.4787 60.8128 39.4448 175.0728 61 D 4.8016 7.8384 121.3641 53.1741 44.7049 173.6877 62 A 5.0713 8.4030 125.9555 50.6657 22.5049 175.4661 63 R 4.7292 9.0890 121.3388 54.3215 33.6581 174.8188 64 V 4.9030 9.5543 123.8150 61.0432 34.7503 174.4370 65 E 4.6960 9.1524 126.0464 54.4674 33.1765 174.9574 66 V 4.5205 8.4000 123.8641 61.4489 33.0594 175.0131 67 D 4.6358 9.0311 130.4146 53.1944 39.8537 175.9594 68 V 3.9796 7.8376 124.0957 60.7204 33.6604 174.1794 *75 N 4.5093 8.1056 118.8331 52.2221 38.0577 174.3488 76 Y 4.1594 8.7773 118.9752 61.1912 38.6524 178.1915 77 G 3.4556 8.0228 107.2375 46.6673 0.0000 174.5387 78 G 3.9114 8.1603 106.6518 45.6586 0.0000 172.0109 79 Y 4.8837 7.0555 115.9991 55.4683 41.6060 172.4543 80 T 4.6409 8.6853 112.6852 60.8562 70.8254 172.0098 81 E 5.2758 8.5040 117.7005 54.2335 34.3086 175.5717 82 V 4.0335 8.7773 123.2185 63.7690 32.8665 175.2518 83 S 4.9057 9.4845 121.8420 56.3838 66.6116 175.2102 84 G 3.8795 8.7558 108.0148 48.4929 0.0000 175.1579 85 R 3.5787 7.9607 120.3125 58.4579 30.1930 176.5478 86 N 4.8573 8.0273 112.5177 52.4089 39.0306 173.7588 87 L 5.0364 7.7999 122.4722 53.8759 43.5717 175.7469 88 R 5.0519 8.8979 124.5578 54.5664 34.2644 174.6214 89 V 4.8678 8.7899 122.0365 61.8070 35.7829 173.4533 90 T 5.0867 8.8059 123.5210 61.6852 71.9466 172.9465 91 I 4.9263 8.9315 120.0040 58.9526 41.3848 174.4210 92 V 4.8970 8.7412 124.3316 61.4436 33.8566 174.3893 93 T 5.1371 8.6787 118.1025 60.0493 71.6035 173.4896 94 R 5.0812 9.3868 124.7163 54.9744 32.7174 174.2733 95 C 4.8427 9.0117 124.5055 58.8970 31.6900 174.0612 96 G 3.8458 8.2115 113.2519 46.1950 0.0000 173.5953 97 E 4.3783 8.8511 124.2315 55.5408 29.6784 174.7274 98 W 5.3080 8.2997 119.4812 54.9274 32.9985 174.4155 99 E 5.9800 9.9635 121.4497 53.5462 33.4248 174.5937 100 A 5.1861 8.3113 123.0324 50.1416 22.7745 175.1459 101 V 4.5965 8.8852 122.1290 61.3269 33.5008 174.6370 102 G 4.3017 8.7482 115.9566 44.4522 0.0000 172.0361 103 K 4.8661 8.5093 122.5116 53.9394 36.2416 174.9465 104 L 5.2784 8.6707 124.5394 53.4661 45.2514 174.8016 105 E 5.0952 9.1350 125.0669 54.8974 33.8050 173.8344 106 F 4.6564 9.1309 128.6640 58.4803 40.4194 174.0906 107 I 4.2590 8.0866 127.7011 59.5231 38.2005 176.4835 108 E 3.9985 8.9712 127.7880 59.3714 29.6318 179.4128 109 E 4.0477 8.0703 115.0395 58.7358 29.7632 177.6633 110 L 4.1214 7.1230 114.7421 54.3553 42.2829 175.8340 111 N 4.1135 7.5024 116.0492 53.7242 38.0629 172.7792 112 Y 4.9061 6.4941 114.6359 55.4079 42.8103 171.6231 113 P 5.0605 0.0000 0.0000 62.1037 32.2520 174.9107 114 L 4.8140 9.1041 128.2100 54.2497 43.8783 174.9176 115 M 5.3297 8.7635 125.3623 53.7386 33.8060 175.2388 116 W 5.2262 8.7652 119.1526 55.3975 32.3941 173.5255 117 V 4.3989 8.4187 121.3336 61.8657 31.2224 175.2325 118 E 4.5789 9.5672 131.5077 59.0977 30.2453 176.2599 119 E 4.8993 7.8519 114.4641 55.4050 32.8675 174.2507 120 I 5.2335 8.4408 121.5345 59.6758 39.9978 175.0907 121 R 4.9783 9.6206 122.4446 54.3739 33.2708 174.8284 122 R 3.5913 8.2861 118.9841 55.7384 31.0459 176.9205 123 V 3.7527 8.1841 121.3226 63.2566 31.1258 175.7787 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 7 Y 8.14 4.35 0.00 2.58 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 8 F 7.67 4.85 0.00 3.23 3.01 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 9 K 9.05 4.06 0.00 1.72 1.87 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.40 7.81 10 R 7.82 4.41 0.00 1.76 1.93 0.00 3.17 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 11 L 7.42 4.34 0.00 1.68 1.75 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.44 4.34 0.00 4.04 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 13 D 8.68 4.37 0.00 2.90 3.02 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 0.00 0.00 0.00 14 R 7.61 3.52 0.00 0.67 1.31 0.00 2.21 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 15 E 7.93 3.98 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 16 R 8.32 3.94 0.00 1.90 1.89 0.00 2.47 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 17 A 8.07 4.02 1.48 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 0.00 0.00 0.00 18 I 7.47 3.64 2.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.95 0.00 0.00 19 F 8.49 4.30 0.00 3.09 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 20 E 8.58 3.82 0.00 2.01 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 2.62 2.45 0.00 21 A 7.96 4.04 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 22 G 7.90 3.57 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 23 I 7.75 3.55 1.77 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.02 0.79 0.00 0.00 24 T 8.11 3.91 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 1.21 0.00 0.00 25 L 8.17 4.10 0.00 1.67 1.70 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.26 3.64 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 0.00 0.00 0.00 27 A 8.26 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.10 3.89 2.18 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 1.54 0.87 1.00 0.00 0.00 29 Y 8.41 4.07 0.00 3.18 3.12 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 30 H 8.35 4.46 0.00 3.23 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.37 3.88 0.00 1.86 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 1.75 1.32 0.00 32 F 7.74 4.77 0.00 3.17 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.53 4.37 0.00 2.73 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 34 G 8.82 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 35 T 7.99 4.09 4.35 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 1.27 0.00 0.00 36 P 0.00 5.11 0.00 1.76 1.59 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 37 V 9.29 4.75 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 0.74 0.00 0.00 0.92 0.00 0.00 38 S 9.36 4.96 0.00 3.83 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 39 P 0.00 4.17 0.00 2.06 2.19 0.00 3.68 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 2.27 0.00 40 G 7.93 3.85 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 41 T 8.34 4.08 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 1.18 0.00 0.00 42 A 7.73 4.45 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.92 3.88 0.00 2.00 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 2.38 2.38 0.00 44 E 8.05 3.99 0.00 2.14 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 2.38 2.34 0.00 45 V 7.87 3.45 2.16 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 0.98 0.00 0.00 0.93 0.00 0.00 46 A 7.82 3.84 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.87 0.00 1.94 1.83 0.00 1.65 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 1.42 1.64 7.81 48 C 7.94 4.12 0.00 3.04 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 49 I 7.47 3.04 1.66 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 -0.30 -0.23 0.66 0.00 0.00 50 E 8.07 3.90 0.00 2.08 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 2.28 2.51 0.00 51 R 7.89 3.92 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 52 A 8.36 4.16 1.59 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 53 A 8.50 4.01 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 54 L 8.10 4.14 0.00 1.60 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.59 4.25 0.00 1.78 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.44 4.28 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 57 P 0.00 4.40 0.00 2.21 2.00 0.00 3.74 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 2.04 2.13 0.00 58 C 8.92 3.91 0.00 3.16 3.22 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 59 V 7.64 4.23 2.25 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 0.81 0.00 0.00 0.92 0.00 0.00 60 I 8.23 4.56 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 1.11 0.95 0.91 0.00 0.00 61 D 7.84 4.80 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.40 5.07 1.16 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 0.00 0.00 63 R 9.09 4.73 0.00 1.66 1.77 0.00 3.22 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 64 V 9.55 4.90 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 0.72 0.00 0.00 0.86 0.00 0.00 65 E 9.15 4.70 0.00 1.91 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 2.20 2.20 0.00 66 V 8.40 4.52 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 0.80 0.00 0.00 0.87 0.00 0.00 67 D 9.03 4.64 0.00 2.71 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 68 V 7.84 3.98 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 *75 N 8.11 4.51 0.00 3.00 2.96 0.00 0.00 5.51 7.57 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 76 Y 8.78 4.16 0.00 2.86 3.04 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 77 G 8.02 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.16 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 Y 7.06 4.88 0.00 3.28 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 80 T 8.69 4.64 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 1.29 0.00 0.00 81 E 8.50 5.28 0.00 1.90 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 2.53 2.34 0.00 82 V 8.78 4.03 2.28 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 0.99 0.00 0.00 0.92 0.00 0.00 83 S 9.48 4.91 0.00 3.79 3.85 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 84 G 8.76 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 0.00 0.00 0.00 85 R 7.96 3.58 0.00 1.51 1.78 0.00 2.55 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.00 86 N 8.03 4.86 0.00 2.90 2.96 0.00 0.00 5.80 6.67 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 87 L 7.80 5.04 0.00 1.71 1.73 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.90 5.05 0.00 1.78 1.78 0.00 3.20 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 89 V 8.79 4.87 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 0.73 0.00 0.00 0.93 0.00 0.00 90 T 8.81 5.09 4.19 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 1.14 0.00 0.00 91 I 8.93 4.93 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.88 0.00 0.00 92 V 8.74 4.90 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 0.99 0.00 0.00 0.92 0.00 0.00 93 T 8.68 5.14 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 94 R 9.39 5.08 0.00 1.74 1.83 0.00 3.19 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 95 C 9.01 4.84 0.00 3.25 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.21 3.85 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 97 E 8.85 4.38 0.00 1.69 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 2.30 2.31 0.00 98 W 8.30 5.31 0.00 3.44 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 99 E 9.96 5.98 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.10 0.00 100 A 8.31 5.19 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 0.00 101 V 8.89 4.60 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 0.88 0.00 0.00 0.94 0.00 0.00 102 G 8.75 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 0.00 0.00 0.00 0.00 103 K 8.51 4.87 0.00 0.79 0.74 0.00 1.80 0.00 0.00 1.39 0.00 0.00 2.60 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.94 0.71 7.81 104 L 8.67 5.28 0.00 1.63 1.44 1.02 1.03 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 0.00 105 E 9.14 5.10 0.00 2.30 2.21 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 2.42 2.41 0.00 106 F 9.13 4.66 0.00 3.34 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.09 4.26 1.69 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 1.33 0.57 0.75 0.00 0.00 108 E 8.97 4.00 0.00 2.10 2.08 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 2.56 2.61 0.00 109 E 8.07 4.05 0.00 2.02 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 0.00 2.19 2.24 0.00 110 L 7.12 4.12 0.00 1.73 1.67 0.81 0.89 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 0.00 111 N 7.50 4.11 0.00 2.84 2.89 0.00 0.00 6.88 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 0.00 112 Y 6.49 4.91 0.00 3.09 2.54 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 0.00 113 P 0.00 5.06 0.00 1.97 2.44 0.00 2.42 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.28 0.00 114 L 9.10 4.81 0.00 1.94 1.76 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 M 8.76 5.33 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 116 W 8.77 5.23 0.00 3.37 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 0.00 117 V 8.42 4.40 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 0.83 0.00 0.00 0.94 0.00 0.00 118 E 9.57 4.58 0.00 2.01 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 2.39 2.42 0.00 119 E 7.85 4.90 0.00 2.10 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 2.30 2.38 0.00 120 I 8.44 5.23 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 1.00 0.00 0.00 121 R 9.62 4.98 0.00 1.79 2.03 0.00 2.79 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 122 R 8.29 3.59 0.00 1.46 1.52 0.00 2.21 0.00 0.00 2.55 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.26 0.00 123 V 8.18 3.75 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.