NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3775 8.3293 121.7292 55.1619 30.2743 174.9147 3 P 4.3985 0.0000 0.0000 60.3903 32.1664 174.5599 4 R 2.7795 8.1119 117.4335 54.8681 31.2127 176.0533 5 P 4.2928 0.0000 0.0000 61.9507 32.2953 176.8739 6 D 4.3439 8.5069 119.7374 57.5329 40.7788 178.1525 7 S 4.2902 7.8707 111.0451 59.3758 63.4664 174.1339 8 A 4.3539 7.4268 124.0425 51.9105 18.8104 177.3918 9 F 4.4297 9.5002 124.7766 58.4828 40.9973 173.7770 10 V 4.4722 7.5653 124.9278 61.1999 33.5595 173.7319 11 H 4.6655 8.6919 128.2737 54.4251 31.7580 173.0467 12 D 4.8793 8.3752 125.9349 53.7944 41.9493 175.8034 13 V 4.1709 8.7026 123.4096 60.8931 34.2833 174.1398 14 R 4.4412 8.4763 128.7043 55.3464 30.3962 175.4651 15 V 4.2227 8.2605 126.8139 61.6584 33.0599 174.6654 16 T 4.7118 8.8328 115.9892 58.8852 72.2540 174.4872 17 W 4.4961 9.2190 130.7135 60.8200 30.4179 177.8774 18 G 3.7775 7.7237 103.8669 47.4320 0.0000 174.0076 19 D 4.5738 8.2586 119.4769 55.5221 41.3774 175.7339 20 C 5.0089 7.6192 117.3844 58.0388 29.9218 173.1542 21 D 4.5992 8.3960 123.1408 51.0786 40.9137 175.4630 22 P 4.1767 0.0000 0.0000 64.4607 31.1354 177.1765 23 A 4.2419 8.1127 120.4991 51.8820 18.4585 177.6397 24 K 3.9240 8.3965 115.1945 57.1725 29.9724 175.5173 25 I 4.8745 7.3954 110.4857 58.5203 41.6965 173.9612 26 A 4.5158 8.8555 125.4805 52.3836 18.7896 177.1164 27 Y 4.2909 9.0861 124.9718 58.0472 39.5876 177.0276 28 T 3.3745 8.5153 123.4812 66.8048 68.2570 176.4331 29 G 3.2535 5.7432 105.5528 47.6394 0.0000 174.2826 30 H 4.4055 7.7465 117.0414 56.7890 29.1049 177.5081 31 L 3.6761 7.3269 121.5214 57.1143 41.3294 177.4958 32 P 4.2583 0.0000 0.0000 65.3550 31.2461 178.4714 33 R 3.8415 7.7466 117.0954 59.4737 30.0259 178.3651 34 F 4.5711 7.8634 117.2268 60.7006 38.9493 177.4225 35 A 4.0778 8.1808 120.3017 55.3672 18.1080 179.7694 36 L 3.9322 8.0300 117.4548 57.7751 41.5938 179.5068 37 E 3.9476 8.5069 118.5816 59.2990 29.3698 179.2689 38 A 3.9782 7.9161 120.6971 55.1827 18.4987 179.7472 39 I 3.2410 7.5201 118.3460 64.3653 37.1218 178.1015 40 D 3.3856 7.5675 118.6288 57.0267 40.9495 178.2335 41 A 3.9682 8.0367 121.2774 54.5963 18.3196 179.4447 42 W 3.0918 8.1334 127.0766 60.2347 30.7962 178.2147 43 W 4.3815 8.2331 118.8621 59.9568 28.0228 178.5691 44 S 4.8870 8.1429 116.3966 61.0827 62.0383 176.5128 45 E 3.3137 7.4959 120.6083 58.7890 29.3342 177.6158 46 Y 4.3069 6.9030 113.6840 58.0785 38.9523 175.8822 47 H 4.8114 9.5417 118.8210 55.4484 31.7484 174.6027 48 G 4.3528 7.1505 110.9725 43.8327 0.0000 169.7566 49 P 4.3699 0.0000 0.0000 64.4537 31.8744 177.0441 50 G 4.0569 8.9375 109.9511 44.1948 0.0000 174.5598 51 G 3.7377 7.9655 109.2015 46.0100 0.0000 176.6146 52 W 4.2936 9.7192 120.6935 59.7438 28.7777 177.3762 53 Y 4.0922 8.2923 119.1187 61.0006 38.2697 177.5403 54 H 4.5043 8.4674 120.3570 58.7096 30.0450 176.8119 55 L 3.8377 8.1028 122.0814 58.2336 41.7456 178.8430 56 E 4.0865 8.5440 119.8878 59.1051 29.3209 179.3461 57 L 3.9659 7.8489 117.5367 56.7779 41.6737 178.3152 58 D 4.6667 8.2264 118.2559 56.1866 41.6494 178.3063 59 T 4.2173 7.7193 112.8523 62.8199 69.1640 174.3360 60 N 4.4452 8.0147 117.7541 53.7625 37.4393 172.5328 61 V 4.7781 7.8428 116.5742 60.6270 33.9033 174.6670 62 G 4.2470 8.9779 115.4628 43.7429 0.0000 172.6322 63 T 5.1856 7.6794 109.8777 57.6679 67.6662 171.6483 64 P 4.2847 0.0000 0.0000 63.4433 33.1999 177.1260 65 F 4.6580 8.7792 121.1996 57.7613 39.2051 175.6102 66 V 4.4306 8.8762 115.2007 61.5978 33.9958 175.8524 67 R 4.8189 7.8322 119.2010 55.1432 33.2869 173.4195 68 L 5.1802 8.3523 124.2636 54.3237 43.8896 174.5578 69 E 4.4454 8.3839 118.1437 55.0751 34.1394 173.3233 *71 D 4.2405 8.4532 117.8231 54.0977 42.6182 174.8471 72 F 5.1842 8.4734 121.6105 56.3090 39.7728 175.3058 73 K 4.5278 9.4668 124.2490 57.4670 33.5949 177.1285 74 S 4.6728 7.8754 111.4172 56.0660 65.2199 171.7755 75 P 4.5712 0.0000 0.0000 62.7058 32.1890 175.7008 76 V 4.6911 8.4554 122.7303 61.9735 33.0038 174.7507 77 T 5.1165 9.1367 116.8128 59.2619 72.6602 172.8410 78 P 4.7241 0.0000 0.0000 63.2673 31.3044 178.0533 79 R 4.0592 7.7461 117.7607 58.5969 30.2016 176.1733 80 H 4.9559 7.4387 112.8376 53.6116 32.9996 173.0793 81 I 3.7581 8.2159 122.1794 61.6842 37.9262 175.7804 82 L 4.4004 8.7183 129.1333 54.0734 42.9657 175.6842 83 K 4.4904 8.9777 128.2787 55.7602 33.4234 176.2899 84 C 4.9652 8.9011 125.3063 58.4587 29.1142 172.5155 85 H 4.9689 9.2454 122.5474 55.7950 29.4926 174.8850 86 T 5.5201 9.6696 120.6523 61.7194 71.9617 173.5003 87 W 5.3604 8.8554 121.7274 54.6240 32.0817 171.8703 88 P 4.1537 0.0000 0.0000 63.0454 31.5019 176.4117 89 T 4.5397 8.4679 118.2891 63.1600 68.8722 174.3956 90 R 4.5849 7.3196 115.0959 55.2016 32.6520 174.1322 91 L 4.7546 8.3645 122.4796 54.1531 44.4111 175.4857 92 G 4.1336 8.7985 119.9537 44.7948 0.0000 172.2519 93 T 4.1169 8.4811 108.1077 63.2204 69.4724 176.0154 94 K 4.5402 8.1210 120.7951 57.2011 35.3099 176.2691 95 S 5.1736 8.0452 113.2629 56.2601 67.0497 172.7618 96 I 4.9874 8.7173 120.4202 59.5228 41.3187 174.0576 97 T 5.0663 8.4135 124.3736 61.8223 71.5668 172.9453 98 F 4.9594 9.4377 125.1242 55.8211 41.9829 174.8520 99 R 4.7955 8.2494 121.9246 54.6260 32.1715 175.5330 100 V 4.9703 8.8227 122.6787 61.3314 34.8410 173.6429 101 D 5.3149 9.5706 128.5512 52.7636 43.1350 175.6150 102 G 3.2461 8.2372 112.2725 44.4897 0.0000 172.5028 103 V 4.9115 8.6937 126.6287 60.9013 34.7571 174.2139 104 Q 4.7987 8.8786 126.4231 54.4282 31.9207 175.2772 105 D 4.2440 9.8190 124.3207 55.1881 39.6829 174.5306 106 G 3.9285 8.3382 104.8509 45.1871 0.0000 174.2280 107 V 3.9277 7.6135 120.9270 61.8739 32.3360 175.0469 108 T 4.4436 8.3603 124.1965 63.6831 68.6599 174.0079 109 C 4.6823 9.3719 126.1489 61.9119 29.6661 173.9794 110 F 5.5823 7.4585 111.4259 55.5218 41.2244 173.8149 111 V 5.0550 8.6996 113.5036 59.7686 34.5912 175.4332 112 G 4.2798 9.6650 111.3770 44.3277 0.0000 171.0898 113 A 5.1745 8.3366 123.0182 49.7746 22.5146 175.1828 114 F 5.2168 9.7269 120.8818 56.0894 43.1005 173.9945 115 T 5.2103 9.5479 121.0816 61.9814 71.1531 173.2179 116 C 4.9912 8.9805 123.3095 58.0523 32.4793 174.0975 117 V 4.8761 7.9355 114.8404 59.3014 34.5895 174.3615 118 F 5.3492 8.6857 118.7660 56.1894 42.0690 175.0444 119 T 5.1114 8.9381 112.0238 59.7596 72.9461 173.3795 120 I 4.3785 8.8395 124.0684 60.7809 37.3554 176.8976 121 A 4.0106 9.1287 132.5197 55.2056 18.3725 179.3356 122 D 4.4828 8.4556 113.5838 55.4703 39.6143 177.0329 123 Q 4.3229 7.9755 117.3528 55.1051 29.7503 174.9278 124 F 4.1454 7.7113 119.5223 59.3633 38.5932 174.7171 125 K 4.5859 7.6001 119.1492 54.1414 35.1595 175.6272 126 S 4.8988 8.6732 123.2516 59.1414 63.4716 173.3744 127 Q 4.6756 9.0027 120.3827 53.8405 31.7895 172.8286 128 P 4.6293 0.0000 0.0000 62.1536 32.4482 176.1368 129 A 2.8547 8.3583 124.2211 51.3980 18.5970 176.2961 130 P 4.2574 0.0000 0.0000 62.5173 32.4619 177.2285 131 D 4.3573 8.8868 122.1696 57.8918 40.5618 179.0289 132 H 4.2897 8.2363 115.0686 58.7526 28.6029 177.6095 133 L 4.1341 7.5501 121.2929 57.4240 41.5955 178.9786 134 R 3.8947 8.2233 118.6949 59.6180 29.6962 178.3787 135 A 4.0500 7.9162 119.3841 55.1566 18.4182 179.3054 136 L 4.1974 7.6693 116.8408 57.5547 41.9946 179.3923 137 I 4.2862 7.9900 119.7697 64.4011 37.5137 178.1240 138 E 3.9763 8.2940 119.3028 58.9736 29.0321 177.6065 139 P 4.3141 0.0000 0.0000 64.7835 31.4334 176.5094 140 H 4.7223 7.9373 112.8312 55.4300 29.4394 174.7879 141 I 4.5775 7.7836 121.3174 59.1270 37.0540 174.2895 142 P 4.4229 0.0000 0.0000 61.9288 32.1121 176.2506 143 A 4.1588 8.4924 121.2443 52.7784 18.2197 177.6083 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 2 Q 8.33 4.38 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 3 P 0.00 4.40 0.00 2.27 2.05 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 4 R 8.11 2.78 0.00 1.28 1.84 0.00 2.80 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 5 P 0.00 4.29 0.00 2.01 1.91 0.00 2.20 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.00 6 D 8.51 4.34 0.00 2.64 2.76 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 7 S 7.87 4.29 0.00 4.02 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 8 A 7.43 4.35 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 9 F 9.50 4.43 0.00 3.54 3.65 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 10 V 7.57 4.47 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 0.63 0.00 0.00 0.66 0.00 0.00 11 H 8.69 4.67 0.00 3.33 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.38 4.88 0.00 2.46 2.46 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 13 V 8.70 4.17 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 0.24 0.00 0.00 0.90 0.00 0.00 14 R 8.48 4.44 0.00 1.80 1.78 0.00 3.26 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 15 V 8.26 4.22 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 1.11 0.00 0.00 0.73 0.00 0.00 16 T 8.83 4.71 4.37 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 0.00 0.00 0.00 1.26 0.00 0.00 17 W 9.22 4.50 0.00 3.40 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 18 G 7.72 3.78 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 0.00 0.00 0.00 19 D 8.26 4.57 0.00 3.08 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 20 C 7.62 5.01 0.00 2.87 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 21 D 8.40 4.60 0.00 2.73 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 22 P 0.00 4.18 0.00 2.00 2.08 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 23 A 8.11 4.24 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 24 K 8.40 3.92 0.00 1.92 1.99 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.35 7.81 25 I 7.40 4.87 1.91 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 1.28 0.83 0.98 0.00 0.00 26 A 8.86 4.52 1.47 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 0.00 0.00 27 Y 9.09 4.29 0.00 2.86 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 28 T 8.52 3.37 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 29 G 5.74 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 0.00 0.00 0.00 30 H 7.75 4.41 0.00 2.82 2.51 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.33 3.68 0.00 1.57 1.37 0.77 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.26 0.00 2.07 2.10 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 33 R 7.75 3.84 0.00 1.79 1.92 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 34 F 7.86 4.57 0.00 3.34 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 35 A 8.18 4.08 1.13 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 0.00 0.00 36 L 8.03 3.93 0.00 1.97 1.93 0.40 0.54 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 37 E 8.51 3.95 0.00 2.34 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 0.00 2.43 2.64 0.00 38 A 7.92 3.98 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 39 I 7.52 3.24 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.69 0.28 0.00 0.00 40 D 7.57 3.39 0.00 1.71 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 41 A 8.04 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.13 3.09 0.00 3.44 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.23 4.38 0.00 3.48 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 44 S 8.14 4.89 0.00 3.96 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 45 E 7.50 3.31 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 1.47 1.47 0.00 46 Y 6.90 4.31 0.00 1.78 2.45 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 47 H 9.54 4.81 0.00 3.53 3.93 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.15 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 0.00 0.00 0.00 0.00 49 P 0.00 4.37 0.00 2.00 1.99 0.00 3.57 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 1.98 2.06 0.00 50 G 8.94 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 51 G 7.97 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.72 4.29 0.00 3.61 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 53 Y 8.29 4.09 0.00 3.07 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 54 H 8.47 4.50 0.00 3.50 3.62 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.10 3.84 0.00 1.79 1.74 0.54 -0.13 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 56 E 8.54 4.09 0.00 1.92 1.88 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 2.38 2.38 0.00 57 L 7.85 3.97 0.00 1.39 1.50 -0.27 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.23 4.67 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.72 4.22 4.38 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 1.31 0.00 0.00 60 N 8.01 4.45 0.00 2.95 2.85 0.00 0.00 7.10 7.71 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 61 V 7.84 4.78 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 1.04 0.00 0.00 1.05 0.00 0.00 62 G 8.98 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 0.00 0.00 0.00 0.00 63 T 7.68 5.19 3.82 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 0.81 0.00 0.00 64 P 0.00 4.28 0.00 2.10 2.26 0.00 3.67 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 1.96 2.00 0.00 65 F 8.78 4.66 0.00 2.95 3.11 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 66 V 8.88 4.43 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 0.61 0.00 0.00 0.98 0.00 0.00 67 R 7.83 4.82 0.00 1.86 1.73 0.00 3.11 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 68 L 8.35 5.18 0.00 1.30 1.63 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.38 4.45 0.00 1.83 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 1.98 2.05 0.00 *71 D 8.45 4.24 0.00 2.56 2.59 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 72 F 8.47 5.18 0.00 3.00 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 73 K 9.47 4.53 0.00 1.80 1.90 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.42 7.81 74 S 7.88 4.67 0.00 3.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.57 0.00 2.03 2.01 0.00 3.77 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 2.07 2.12 0.00 76 V 8.46 4.69 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 1.29 0.00 0.00 1.26 0.00 0.00 77 T 9.14 5.12 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 78 P 0.00 4.72 0.00 2.14 2.36 0.00 3.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 79 R 7.75 4.06 0.00 1.80 1.84 0.00 3.15 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 80 H 7.44 4.96 0.00 2.97 3.13 0.00 5.66 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 81 I 8.22 3.76 1.84 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 1.19 0.45 0.90 0.00 0.00 82 L 8.72 4.40 0.00 1.73 1.61 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.98 4.49 0.00 1.84 1.64 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.38 7.81 84 C 8.90 4.97 0.00 3.09 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 85 H 9.25 4.97 0.00 3.31 3.44 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 9.67 5.52 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 87 W 8.86 5.36 0.00 3.45 3.34 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 88 P 0.00 4.15 0.00 1.74 1.16 0.00 3.98 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.75 0.00 89 T 8.47 4.54 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 1.12 0.00 0.00 90 R 7.32 4.58 0.00 1.85 1.93 0.00 2.95 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 91 L 8.36 4.75 0.00 1.54 1.52 1.05 1.00 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 92 G 8.80 4.13 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 0.00 0.00 0.00 93 T 8.48 4.12 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 1.20 0.00 0.00 94 K 8.12 4.54 0.00 1.87 2.09 0.00 1.45 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 95 S 8.05 5.17 0.00 4.00 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 96 I 8.72 4.99 2.10 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.58 0.92 0.00 0.00 97 T 8.41 5.07 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 1.23 0.00 0.00 98 F 9.44 4.96 0.00 2.98 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 99 R 8.25 4.80 0.00 0.67 0.66 0.00 3.26 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.28 0.00 100 V 8.82 4.97 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.87 0.00 0.00 101 D 9.57 5.31 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.24 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 0.00 0.00 0.00 103 V 8.69 4.91 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 1.09 0.00 0.00 0.85 0.00 0.00 104 Q 8.88 4.80 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.02 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 105 D 9.82 4.24 0.00 2.15 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 0.00 106 G 8.34 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.61 3.93 2.17 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 1.06 0.00 0.00 0.92 0.00 0.00 108 T 8.36 4.44 4.24 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 1.23 0.00 0.00 109 C 9.37 4.68 0.00 2.91 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 0.00 110 F 7.46 5.58 0.00 3.22 3.40 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 0.00 111 V 8.70 5.05 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 0.75 0.00 0.00 0.94 0.00 0.00 112 G 9.67 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 0.00 0.00 0.00 0.00 113 A 8.34 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 9.73 5.22 0.00 3.29 3.42 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 0.00 115 T 9.55 5.21 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 0.00 116 C 8.98 4.99 0.00 2.46 2.42 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 0.00 117 V 7.94 4.88 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 0.83 0.00 0.00 118 F 8.69 5.35 0.00 3.21 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 0.00 119 T 8.94 5.11 4.38 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 1.17 0.00 0.00 120 I 8.84 4.38 1.90 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 1.18 0.97 0.98 0.00 0.00 121 A 9.13 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.46 4.48 0.00 2.78 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 0.00 123 Q 7.98 4.32 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 124 F 7.71 4.15 0.00 2.92 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 0.00 125 K 7.60 4.59 0.00 1.83 1.61 0.00 1.77 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.40 7.81 126 S 8.67 4.90 0.00 3.76 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 0.00 127 Q 9.00 4.68 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 128 P 0.00 4.63 0.00 1.90 2.06 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 129 A 8.36 2.85 0.67 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 0.00 130 P 0.00 4.26 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 131 D 8.89 4.36 0.00 2.70 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 0.00 132 H 8.24 4.29 0.00 3.41 3.57 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.55 4.13 0.00 1.80 2.00 1.07 1.07 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 0.00 134 R 8.22 3.89 0.00 1.80 2.08 0.00 3.08 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 135 A 7.92 4.05 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 0.00 136 L 7.67 4.20 0.00 1.91 1.88 1.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.99 4.29 1.94 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 0.80 0.00 0.00 138 E 8.29 3.98 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 139 P 0.00 4.31 0.00 1.70 2.01 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 140 H 7.94 4.72 0.00 3.42 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.78 4.58 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.64 0.94 0.00 0.00 142 P 0.00 4.42 0.00 2.18 2.00 0.00 4.06 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.88 0.00 143 A 8.49 4.16 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 * Residues marked with a * may have inaccurate shift predictions.