NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 E 4.3227 8.4444 121.4733 55.8964 30.7194 176.7541 0 F 4.1634 9.2455 116.7761 59.9277 39.5515 173.1790 1 M 5.0523 7.7205 119.2206 54.1509 36.7159 172.5163 2 I 5.0048 9.0315 119.0961 59.1516 41.0498 174.1183 3 I 4.5885 8.5238 126.3923 59.9872 39.4070 174.0596 4 Y 4.5447 8.6854 125.2870 56.5055 39.4095 174.6615 5 R 5.0357 8.7031 125.0776 54.0961 33.6498 174.3289 6 D 4.7740 9.3537 125.5817 54.2065 41.4769 176.6799 7 L 3.9426 9.0472 129.6686 58.0297 42.2271 178.1367 8 I 4.1230 8.6519 119.2947 63.1273 37.8187 177.1303 9 S 4.2978 8.2735 111.8275 58.8174 63.5617 174.5061 10 H 4.2959 8.2356 116.7420 56.3838 26.5494 174.2679 11 D 4.7995 7.6146 119.6260 53.5751 42.3262 175.4173 12 E 4.1008 8.8009 123.3634 56.9239 29.6832 175.9646 13 M 4.6527 8.7795 127.2581 57.0551 33.8244 175.7107 14 F 4.1428 6.8528 111.4585 56.4173 40.9089 172.3285 15 S 5.3055 9.0574 113.2308 55.9078 66.5683 172.8607 16 D 4.8923 8.5867 118.0172 54.0482 39.4027 177.0128 17 I 4.0431 7.5144 110.5543 61.7622 37.8410 174.0787 18 Y 4.7866 7.1970 118.0747 55.7744 41.5582 174.0748 19 K 4.4936 8.5377 122.5649 56.5073 33.2465 175.4593 20 I 5.1873 8.4037 127.9467 59.5267 40.2895 175.0420 21 R 4.7274 8.8256 121.5355 54.6459 33.4379 173.6642 22 E 4.9448 8.7674 120.6656 55.6751 31.1425 175.4987 23 I 4.3988 8.2667 117.2000 58.5120 41.4904 174.6321 24 A 3.5880 8.5181 122.1116 54.3780 15.1741 177.2788 25 D 4.5052 9.0495 112.7459 55.1981 39.1298 175.6271 26 G 4.0340 8.5146 103.7694 45.5828 0.0000 175.0629 27 L 4.3185 8.2345 124.2927 56.9274 42.6628 176.0720 28 C 5.4226 8.1583 114.3313 57.7916 33.1252 173.0249 29 L 5.0999 8.8056 119.8992 53.0646 44.3350 175.2722 30 E 4.9198 9.4310 125.6418 54.6134 31.6550 174.5003 31 V 4.5328 8.8938 127.6112 60.9737 33.7444 173.8548 32 E 4.4127 9.0968 130.6703 55.8648 30.2969 175.7789 33 G 4.4264 8.7627 115.6066 44.7519 0.0000 172.0409 34 K 4.8605 7.8400 117.7259 55.0269 36.8863 176.1410 35 M 4.7364 8.6862 123.3727 55.5800 32.9472 176.1064 36 V 4.5579 8.8384 114.9199 59.2637 36.7262 175.1640 37 S 4.4295 8.6794 117.7990 58.4868 61.6330 173.7200 38 R 3.9800 8.1275 129.7459 58.6281 30.5842 175.9995 *68 T 4.4767 7.3779 108.3320 61.9660 70.5013 171.9426 69 G 4.2484 8.9308 108.7893 44.9836 0.0000 171.7726 70 V 3.8647 8.3454 119.7614 62.4076 32.4330 175.5481 71 D 4.1750 9.1652 125.6799 58.0557 41.1010 178.8408 72 I 3.5778 7.3805 120.1565 63.6467 37.4329 178.3388 73 V 3.4407 7.4785 117.9875 66.4410 30.8194 177.8591 74 M 4.0764 8.0834 118.2484 58.4611 31.5727 178.5654 75 N 4.3793 8.1737 115.6940 55.6861 38.6954 176.2356 76 H 4.8776 7.7572 114.4867 54.5603 29.6591 174.0171 77 H 4.1352 7.7092 115.3497 56.7690 26.7800 175.2058 78 L 4.5860 7.9674 117.3681 55.0325 42.7200 177.2419 79 Q 4.8015 9.2311 121.1195 53.9412 31.4740 174.8959 80 E 3.7215 8.8657 125.3484 56.3888 30.5675 175.2400 81 T 4.7841 8.4987 120.3709 60.6623 71.2045 172.4115 82 S 4.8034 8.0125 115.3138 56.8195 65.9558 173.0996 83 F 4.7431 8.1723 118.6521 55.3460 42.9348 174.9893 84 T 4.5743 8.3211 116.6437 61.0011 69.8153 175.6917 85 K 2.8884 8.4440 124.9322 59.1983 32.1378 178.7773 86 E 3.9076 8.1036 118.1426 59.4515 29.4493 179.0804 87 A 4.1049 8.0166 120.2738 55.2899 18.5213 178.8810 88 Y 3.7319 8.4481 118.3223 60.4247 38.9232 177.9540 89 K 3.7836 8.1930 120.6578 59.4989 32.3910 178.6344 90 K 3.8957 8.0278 119.6902 59.5265 32.0605 178.0377 91 Y 3.9884 8.3197 120.2095 60.8480 38.6814 178.0550 92 I 2.9662 7.8166 119.6700 63.4549 37.9300 178.0000 93 K 3.8313 7.6268 119.0093 59.5260 31.6831 179.0601 94 D 4.2582 7.4825 117.2572 57.3057 40.6624 177.8975 95 Y 3.9565 7.7802 120.2732 61.0895 38.8150 178.1567 96 M 4.0545 8.2181 119.6816 58.2078 32.0407 178.7171 97 K 4.1477 7.7161 117.6960 58.7027 32.3703 179.4652 98 S 4.0659 7.8958 116.1974 61.3332 62.6231 176.6278 99 I 3.4285 7.1281 122.1910 63.8447 36.8452 177.9470 100 K 3.7549 7.9536 120.7006 59.4378 31.5108 178.8577 101 G 3.6125 7.8366 105.6407 47.8578 0.0000 175.8244 102 K 4.0252 7.6582 120.7142 58.8599 31.5564 179.5915 103 L 3.8857 8.0471 119.8017 57.7882 41.2478 179.0879 104 E 4.0876 8.5146 119.2183 59.4786 29.1611 179.2189 105 E 4.1464 7.7052 115.1162 58.4635 30.1292 177.9782 106 Q 4.4488 7.8825 117.1481 56.3436 31.4042 176.7088 107 R 4.7090 9.1584 118.7752 53.7220 32.2117 173.7644 108 P 4.1989 0.0000 0.0000 65.7964 31.8378 177.8506 109 E 4.1931 8.1116 113.8544 58.0427 29.5914 178.0600 110 R 4.2907 8.5785 119.3998 57.5250 30.3670 177.8125 111 V 3.6451 7.5910 118.4277 66.2149 31.3788 177.6003 112 K 3.9030 8.0486 118.2165 59.1992 32.1250 176.5858 113 P 4.2633 0.0000 0.0000 65.5611 31.3206 178.2085 114 F 4.1735 8.5629 119.4875 61.8214 39.3642 177.1189 115 M 3.9018 8.5814 118.8580 58.3789 31.5867 178.9559 116 T 3.9546 8.1894 110.2898 64.7284 68.8999 176.9989 117 G 3.5313 8.2410 108.6232 47.2668 0.0000 175.4889 118 A 3.8799 8.1527 123.5181 54.7436 18.4336 179.4439 119 A 3.9137 7.8384 119.1928 55.4913 18.3426 179.8206 120 E 3.9611 7.9479 117.1088 59.5457 29.5905 179.2825 121 Q 4.0448 8.4318 119.9046 59.1865 29.0041 178.4497 122 I 3.8654 8.3341 121.3479 64.3813 37.2022 178.4715 123 K 3.9986 8.0128 118.9905 59.6644 31.6296 178.8151 124 H 4.1825 8.3964 117.6560 59.3738 30.2188 176.7910 125 I 4.1019 8.5147 121.8395 64.7893 36.8371 178.3517 126 L 4.1248 8.2476 118.1589 57.8307 41.5904 179.1230 127 A 4.3327 8.1039 118.5431 53.5776 18.6725 177.2454 128 N 5.0034 8.0743 115.4334 52.4445 40.5172 176.5848 129 F 4.4128 8.8827 121.6788 61.7266 39.2766 177.1917 130 K 4.0975 8.0322 116.3190 58.1560 31.9104 177.7561 131 N 4.2027 7.7395 116.2098 54.9692 38.6637 174.5955 132 Y 4.8027 6.7588 114.4853 56.2640 40.3764 175.2073 133 Q 4.4359 8.0987 119.1784 54.0742 32.5349 174.6101 134 F 5.2775 8.2638 119.5515 55.7807 42.4099 174.4300 135 F 5.2578 9.3615 120.9304 55.7208 42.9763 173.8392 136 I 4.9212 8.9339 122.4889 58.6193 41.7536 175.0765 137 G 4.3530 8.6766 113.6621 44.6598 0.0000 174.2063 138 E 4.0497 8.8484 120.2841 59.0945 29.6524 178.0745 139 N 4.4870 8.6285 115.1754 54.3580 38.7870 174.7011 140 M 3.1615 8.0310 117.0213 55.9815 30.4150 176.7472 141 N 4.5557 8.1263 117.2604 52.4380 39.3158 173.4705 142 P 4.5756 0.0000 0.0000 65.3252 31.2936 176.5610 143 D 4.8678 8.7585 117.7896 54.2490 41.1779 176.5876 144 G 4.0846 8.2917 109.7101 44.6586 0.0000 173.1741 145 M 3.6464 9.4887 119.5133 55.1814 32.6356 175.6096 146 V 4.6206 8.1025 123.8055 61.0321 33.3904 174.8954 147 A 4.1088 9.2288 131.1895 51.6640 19.8215 175.7397 148 L 4.6409 7.9473 120.8352 52.9212 44.2456 175.2812 149 L 4.6952 8.3937 125.4162 53.3259 44.6515 174.6957 150 D 4.9648 7.9189 124.2614 53.3423 45.4977 172.7797 151 Y 5.0869 8.2041 116.9199 55.9007 41.6315 176.4686 152 R 4.4544 8.8568 120.8069 55.6268 31.6093 177.6264 153 E 3.9736 8.9155 117.8308 60.0518 29.2529 178.7828 154 D 4.3353 8.2537 115.8396 54.3462 39.2629 176.9393 155 G 3.9802 8.2277 107.3979 46.3665 0.0000 174.3362 156 V 4.1240 8.9678 119.6707 63.6437 33.7486 175.6606 157 T 4.4865 8.2200 115.8241 60.5519 68.2993 172.4164 158 P 4.4519 0.0000 0.0000 62.5419 33.4304 174.5703 159 Y 5.1330 8.0081 118.2225 55.9342 41.8364 173.5235 160 M 4.9046 9.2800 121.0755 53.5617 35.8945 174.5110 161 I 4.8102 8.0778 123.0153 59.6262 39.7722 174.8483 162 F 5.0520 8.9381 124.6335 55.4907 43.4688 174.4986 163 F 4.7964 8.9169 119.8377 56.3327 39.7515 176.6597 164 K 4.0830 9.1544 128.3011 59.8260 32.0728 178.5004 165 D 4.5494 8.5047 116.0263 56.3155 40.9942 176.9557 166 G 4.2566 8.3032 107.5773 44.5065 0.0000 172.8786 167 L 5.5837 7.8794 118.9070 52.5525 45.4257 175.7145 168 E 4.7323 8.9827 118.7648 54.9054 32.4880 174.7629 169 M 4.4870 8.5048 122.2929 54.2361 33.9014 175.3321 170 E 4.6177 8.4874 120.9980 54.4014 33.5232 175.1724 171 K 4.5766 8.6954 124.3617 56.2065 33.2292 176.7742 172 C 4.3510 8.6627 118.9041 58.6625 29.3055 173.7623 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 -1 E 8.44 4.32 0.00 1.97 1.35 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 2.30 2.36 0.00 0 F 9.25 4.16 0.00 3.04 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 1 M 7.72 5.05 0.00 2.20 1.66 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 2 I 9.03 5.00 1.58 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 1.55 0.52 0.85 0.00 0.00 3 I 8.52 4.59 1.80 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 1.24 0.70 0.86 0.00 0.00 4 Y 8.69 4.54 0.00 1.57 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 0.00 0.00 0.00 0.00 5 R 8.70 5.04 0.00 1.80 1.73 0.00 3.34 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 6 D 9.35 4.77 0.00 2.86 2.71 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 7 L 9.05 3.94 0.00 1.73 1.87 0.97 1.35 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 8 I 8.65 4.12 2.12 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 1.35 0.55 1.00 0.00 0.00 9 S 8.27 4.30 0.00 4.11 4.08 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 10 H 8.24 4.30 0.00 3.41 3.53 0.00 5.65 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.61 4.80 0.00 2.71 2.68 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 12 E 8.80 4.10 0.00 2.03 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 2.36 2.36 0.00 13 M 8.78 4.65 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.97 0.00 14 F 6.85 4.14 0.00 2.91 2.79 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 0.00 15 S 9.06 5.31 0.00 3.97 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 16 D 8.59 4.89 0.00 2.91 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 17 I 7.51 4.04 1.52 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.73 0.00 0.00 18 Y 7.20 4.79 0.00 2.96 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 19 K 8.54 4.49 0.00 1.86 1.69 0.00 1.65 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.47 7.81 20 I 8.40 5.19 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.86 0.00 0.00 21 R 8.83 4.73 0.00 1.79 1.93 0.00 2.70 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 22 E 8.77 4.94 0.00 1.97 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 2.41 2.34 0.00 23 I 8.27 4.40 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.00 0.85 0.00 0.00 24 A 8.52 3.59 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 25 D 9.05 4.51 0.00 2.83 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 26 G 8.51 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.23 4.32 0.00 2.00 1.75 1.18 1.25 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 28 C 8.16 5.42 0.00 2.85 2.79 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 0.00 29 L 8.81 5.10 0.00 1.63 1.49 0.98 0.90 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 30 E 9.43 4.92 0.00 1.94 1.82 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 2.19 2.28 0.00 31 V 8.89 4.53 1.79 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 0.42 0.00 0.00 -0.11 0.00 0.00 32 E 9.10 4.41 0.00 1.96 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 2.30 2.26 0.00 33 G 8.76 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 0.00 0.00 0.00 0.00 34 K 7.84 4.86 0.00 1.98 1.67 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.47 7.81 35 M 8.69 4.74 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 36 V 8.84 4.56 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 0.79 0.00 0.00 1.03 0.00 0.00 37 S 8.68 4.43 0.00 3.84 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 38 R 8.13 3.98 0.00 1.73 1.99 0.00 3.39 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 *68 T 7.38 4.48 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 1.22 0.00 0.00 69 G 8.93 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 70 V 8.35 3.86 1.84 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 0.68 0.00 0.00 0.81 0.00 0.00 71 D 9.17 4.17 0.00 3.08 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 72 I 7.38 3.58 1.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.66 0.73 0.00 0.00 73 V 7.48 3.44 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 1.12 0.00 0.00 0.00 0.00 0.00 74 M 8.08 4.08 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 75 N 8.17 4.38 0.00 2.68 2.72 0.00 0.00 6.95 7.68 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 76 H 7.76 4.88 0.00 3.26 3.42 0.00 5.81 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.71 4.14 0.00 3.41 3.43 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.97 4.59 0.00 1.66 1.85 1.03 0.83 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 79 Q 9.23 4.80 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 80 E 8.87 3.72 0.00 1.72 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 81 T 8.50 4.78 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 1.30 0.00 0.00 82 S 8.01 4.80 0.00 3.93 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.17 4.74 0.00 2.79 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 84 T 8.32 4.57 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 1.33 0.00 0.00 85 K 8.44 2.89 0.00 1.53 1.56 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 0.21 7.81 86 E 8.10 3.91 0.00 2.06 1.99 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 2.38 2.36 0.00 87 A 8.02 4.10 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 88 Y 8.45 3.73 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.78 0.00 2.04 1.94 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 90 K 8.03 3.90 0.00 1.89 1.98 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 91 Y 8.32 3.99 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.82 2.97 1.05 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 0.82 0.00 0.00 93 K 7.63 3.83 0.00 1.90 1.76 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 94 D 7.48 4.26 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.78 3.96 0.00 2.34 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 96 M 8.22 4.05 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 97 K 7.72 4.15 0.00 1.91 1.80 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.54 7.81 98 S 7.90 4.07 0.00 3.72 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 99 I 7.13 3.43 1.64 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.37 0.08 0.00 0.00 100 K 7.95 3.75 0.00 2.03 1.99 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 101 G 7.84 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 0.00 0.00 0.00 0.00 102 K 7.66 4.03 0.00 1.78 1.78 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.53 7.81 103 L 8.05 3.89 0.00 1.78 1.59 0.71 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.51 4.09 0.00 2.08 1.99 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 2.31 2.57 0.00 105 E 7.71 4.15 0.00 2.14 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 2.44 2.31 0.00 106 Q 7.88 4.45 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.29 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 107 R 9.16 4.71 0.00 1.78 1.79 0.00 3.14 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 108 P 0.00 4.20 0.00 2.15 2.11 0.00 3.59 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 2.11 2.44 0.00 109 E 8.11 4.19 0.00 1.94 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 2.32 2.31 0.00 110 R 8.58 4.29 0.00 1.87 2.05 0.00 3.24 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 111 V 7.59 3.65 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 1.05 0.00 0.00 0.95 0.00 0.00 112 K 8.05 3.90 0.00 1.93 1.82 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.62 7.81 113 P 0.00 4.26 0.00 2.28 2.15 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 114 F 8.56 4.17 0.00 3.20 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 0.00 115 M 8.58 3.90 0.00 2.02 2.18 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 2.68 3.01 0.00 116 T 8.19 3.95 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 1.24 0.00 0.00 117 G 8.24 3.53 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 0.00 0.00 0.00 118 A 8.15 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.84 3.91 1.37 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 0.00 0.00 0.00 120 E 7.95 3.96 0.00 2.00 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 2.33 2.54 0.00 121 Q 8.43 4.04 0.00 2.36 2.38 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 2.46 2.58 0.00 122 I 8.33 3.87 2.08 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 0.96 0.00 0.00 123 K 8.01 4.00 0.00 2.02 1.91 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.62 7.81 124 H 8.40 4.18 0.00 3.16 3.63 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.51 4.10 2.21 0.00 0.00 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 1.99 1.09 0.93 0.00 0.00 126 L 8.25 4.12 0.00 1.85 1.76 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.10 4.33 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 0.00 128 N 8.07 5.00 0.00 2.68 2.80 0.00 0.00 6.44 8.14 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 0.00 129 F 8.88 4.41 0.00 3.30 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.03 4.10 0.00 1.78 1.79 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 131 N 7.74 4.20 0.00 1.83 2.23 0.00 0.00 6.84 7.02 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 0.00 132 Y 6.76 4.80 0.00 2.01 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 0.00 0.00 0.00 0.00 133 Q 8.10 4.44 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 134 F 8.26 5.28 0.00 3.22 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 0.00 135 F 9.36 5.26 0.00 2.93 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 0.00 136 I 8.93 4.92 1.93 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 1.23 1.63 1.01 0.00 0.00 137 G 8.68 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 0.00 138 E 8.85 4.05 0.00 2.16 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 0.00 2.34 2.40 0.00 139 N 8.63 4.49 0.00 3.10 2.92 0.00 0.00 7.10 7.38 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 0.00 140 M 8.03 3.16 0.00 2.13 2.15 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 2.76 2.49 0.00 141 N 8.13 4.56 0.00 2.79 2.79 0.00 0.00 6.80 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 0.00 142 P 0.00 4.58 0.00 2.29 2.21 0.00 3.85 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 2.04 0.00 143 D 8.76 4.87 0.00 2.88 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 0.00 144 G 8.29 4.08 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 0.00 0.00 0.00 145 M 9.49 3.65 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.66 0.00 146 V 8.10 4.62 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 1.13 0.00 0.00 0.75 0.00 0.00 147 A 9.23 4.11 0.51 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 0.00 148 L 7.95 4.64 0.00 1.20 1.05 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.39 4.70 0.00 1.53 1.57 0.39 0.83 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 0.00 150 D 7.92 4.96 0.00 2.61 1.61 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 0.00 151 Y 8.20 5.09 0.00 2.78 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 0.00 152 R 8.86 4.45 0.00 2.04 1.93 0.00 3.16 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.77 0.00 153 E 8.92 3.97 0.00 1.96 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 2.32 2.25 0.00 154 D 8.25 4.34 0.00 2.78 2.83 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 0.00 0.00 0.00 155 G 8.23 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 0.00 156 V 8.97 4.12 2.22 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 0.83 0.00 0.00 1.02 0.00 0.00 157 T 8.22 4.49 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 158 P 0.00 4.45 0.00 1.65 1.43 0.00 3.73 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 159 Y 8.01 5.13 0.00 3.01 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 0.00 160 M 9.28 4.90 0.00 1.32 1.79 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 161 I 8.08 4.81 1.55 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.68 0.00 0.00 162 F 8.94 5.05 0.00 3.03 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 0.00 163 F 8.92 4.80 0.00 3.44 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 0.00 164 K 9.15 4.08 0.00 1.96 1.99 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.59 7.81 165 D 8.50 4.55 0.00 2.77 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 0.00 166 G 8.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.88 5.58 0.00 1.82 1.68 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.98 4.73 0.00 1.95 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 2.29 2.23 0.00 169 M 8.50 4.49 0.00 1.53 1.82 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.62 0.00 170 E 8.49 4.62 0.00 1.78 1.73 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 2.13 2.28 0.00 171 K 8.70 4.58 0.00 1.62 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.35 7.81 172 C 8.66 4.35 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.