NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.6155 8.3149 120.0860 56.4188 33.6828 174.6798 6 I 4.5288 9.0017 125.2580 58.5331 41.8199 169.1595 7 V 4.8635 9.0239 124.8694 60.5439 34.0748 173.7541 8 L 4.9866 8.6346 128.2205 53.2643 44.0996 175.9108 9 K 4.3301 8.8516 125.0100 54.7524 32.0870 176.4063 10 S 4.6372 8.4400 120.0253 58.1792 63.0513 174.9149 11 S 4.3045 8.7285 115.2488 60.1199 62.4234 173.5652 12 D 4.8942 7.3061 120.0527 53.9127 39.0982 177.2886 13 G 3.9500 8.2513 103.8650 47.4992 0.0000 171.8843 14 E 4.7388 7.8320 121.7957 55.1422 32.4355 174.0473 15 S 4.5658 8.5219 119.4118 58.8938 64.1754 173.7050 16 F 4.5952 8.6537 119.5466 55.5549 42.4726 173.8221 17 E 4.3853 8.9641 125.9897 56.1596 29.9578 176.1019 18 V 4.6711 8.5225 119.3850 59.5398 36.6165 175.7619 19 E 4.3975 8.6327 122.3934 55.5749 29.7568 176.8141 20 E 3.9945 8.1754 119.4324 59.4899 29.3013 177.3669 21 A 4.2873 7.5683 120.4082 53.0433 19.2465 178.7489 22 V 3.7555 7.5727 117.8059 65.3013 31.7857 177.0541 23 A 4.3837 7.4802 117.4790 53.0622 18.3224 177.7187 24 L 4.3743 7.6491 115.3972 55.4249 42.4201 178.5676 25 E 3.9742 7.6429 116.8113 58.5101 29.6164 176.7954 26 S 4.5067 7.4557 114.5022 56.6767 62.2126 174.2415 27 Q 4.2788 8.5893 124.8191 57.4367 28.0297 178.2982 28 T 4.2495 7.7803 116.7771 64.7689 69.3045 176.6955 29 I 4.0514 7.9016 121.4999 62.2859 38.4728 178.0368 30 A 3.9333 8.0290 123.3669 55.6980 18.2984 178.6434 31 H 4.5264 7.7291 107.9115 56.8460 28.2808 175.5494 32 M 4.8358 7.8784 118.4921 55.3786 32.5419 176.8031 33 V 4.1883 7.5032 108.8842 61.6209 31.9833 176.9018 34 E 4.1429 7.4988 120.2641 58.7847 30.1252 177.4995 35 D 4.5946 7.7532 118.6851 52.9041 39.5246 175.3778 36 D 4.8356 7.8003 120.2294 54.4109 38.7733 175.7572 37 C 4.5016 8.5395 122.2223 60.0590 28.4619 176.0512 38 V 3.8367 7.6315 120.5159 64.6382 31.1619 177.2345 39 D 4.3538 7.4205 117.7159 58.4362 40.7808 177.2520 40 N 4.6875 8.0997 113.7329 52.8143 38.7116 173.6274 41 G 4.0488 7.7337 110.4038 44.7034 0.0000 174.5446 42 V 3.7742 8.1096 121.8424 61.0515 32.2910 173.4291 43 P 4.9260 0.0000 0.0000 61.8287 32.3797 177.0101 44 L 4.8437 8.6170 124.1390 53.3577 40.7031 174.9715 45 P 4.4720 0.0000 0.0000 64.0580 31.2672 176.5652 46 N 4.6803 8.0060 113.9878 52.4896 39.2540 174.2294 47 V 4.1954 7.3876 118.9890 60.5289 33.5346 174.9259 48 T 4.1583 8.3665 121.4039 62.6280 69.2773 174.3646 49 S 4.2674 8.6961 120.8677 60.5935 62.0523 176.3293 50 K 4.0303 8.1087 122.1239 59.3230 31.8730 178.7517 51 I 3.7850 7.6073 119.5683 64.3135 37.4365 177.6277 52 L 3.8204 8.0074 120.9268 58.1627 41.5798 178.9547 53 A 3.9864 7.8288 120.1154 55.3254 17.9536 179.9169 54 K 4.2514 7.7772 115.7509 59.2365 32.0296 180.0082 55 V 3.7753 7.9907 119.1215 66.1705 31.5544 178.1511 56 I 3.7729 7.7543 119.5408 64.3240 36.6577 178.0109 57 E 4.1190 8.2171 119.9709 59.2710 29.4253 178.3345 58 Y 4.0420 7.6898 118.8208 60.8467 38.8946 177.4131 59 C 3.8265 8.1326 117.5429 62.6520 28.2047 175.7628 60 K 3.7442 8.4035 121.4984 59.9787 31.4557 178.4966 61 R 3.6449 7.1936 116.9323 59.4796 29.7800 177.8555 62 H 4.0947 7.8744 116.1245 58.4423 28.8122 177.5853 63 V 3.5578 7.9785 120.5304 65.7597 31.4390 176.9325 64 E 4.4362 7.6075 116.4328 56.5657 28.7236 176.9783 65 A 4.4448 7.3256 118.9815 51.8093 19.9765 178.6140 66 A 4.0935 7.4769 119.0602 55.3827 19.2585 180.2635 67 A 4.2999 7.4559 120.3602 51.8565 17.2674 178.1369 *80 D 4.6135 8.6166 112.3828 54.9743 43.0782 177.2674 81 D 4.4987 8.0636 118.9425 57.0960 41.7695 176.9942 82 D 4.7229 7.9415 116.3020 54.7333 41.1698 178.3189 83 L 4.1043 7.6732 120.7272 57.7604 41.9575 179.0186 84 K 4.3416 7.6488 118.0761 58.7818 31.9651 179.1717 85 A 4.0295 7.3924 121.9330 54.8055 18.6196 179.2513 86 W 4.2425 8.1931 126.1057 60.6872 30.4951 177.7670 87 D 4.3671 8.9576 118.8523 57.6104 40.1715 178.5249 88 A 3.9820 7.5943 119.4234 55.5003 18.5604 178.8256 89 D 4.3308 7.9060 115.7954 57.0992 41.1189 178.2337 90 F 3.9070 8.0781 120.6449 60.9023 39.2938 176.3327 91 M 3.9542 7.3376 116.5072 55.8774 33.3670 177.1168 92 K 4.1888 7.2639 119.5969 56.5731 29.7125 174.7128 93 I 4.5096 6.8357 113.5535 57.8726 41.4724 175.8907 94 D 4.5407 8.0183 120.3474 52.5901 41.5142 177.0275 95 Q 3.3031 8.2116 117.9832 58.9492 28.5567 178.7451 96 A 3.8982 7.8189 121.0461 55.6560 18.3077 179.8331 97 T 3.7641 7.5235 113.5351 66.6393 68.6574 176.3732 98 L 3.7907 7.4164 122.2213 58.3669 41.9163 179.1873 99 F 4.5497 7.9024 117.4132 60.9172 38.5199 177.5432 100 E 4.1154 8.0576 117.7990 58.9382 29.1184 179.6163 101 L 4.0540 7.7121 119.1336 57.6036 41.8422 179.1441 102 I 3.7618 7.4493 120.8888 63.9958 37.1807 178.3153 103 L 4.0099 8.0349 119.4344 57.9036 41.3067 179.6312 104 A 4.1436 7.7431 119.5498 55.0004 18.7162 179.5410 105 A 3.9499 8.7908 119.5023 54.8072 18.1644 178.7580 106 N 4.5399 8.0756 114.1390 55.5049 39.3581 176.0999 107 Y 4.3506 7.8219 120.2918 61.2854 39.4171 175.7352 108 L 4.3487 8.2310 123.9928 53.7015 42.0779 177.8975 109 N 4.9161 8.3298 114.6083 52.6657 39.2813 177.0888 110 I 4.2800 7.8514 121.6112 59.6612 37.5362 176.0626 111 K 4.0267 8.3342 126.6639 59.2490 31.3195 177.8935 112 N 4.4421 8.2431 116.7720 55.2624 37.1939 176.6785 113 L 3.9795 7.7720 122.3087 57.3163 42.5854 178.0912 114 L 4.0062 8.2675 120.6921 58.2503 41.9440 178.3354 115 D 4.5762 8.1630 116.2627 55.6691 40.9121 176.9126 116 L 4.5266 7.1385 117.5824 56.9712 43.0642 178.2088 117 T 3.8672 8.6140 110.8391 65.0178 68.6027 176.3115 118 C 4.1854 8.1533 119.6807 62.5430 27.8824 175.8090 119 Q 4.0520 8.0993 120.1990 58.9230 28.3380 178.2823 120 T 3.9915 7.4208 115.9575 66.5676 68.9179 176.7014 121 V 3.8824 7.6915 120.1289 65.9862 31.6113 177.9389 122 A 4.0965 8.5022 120.9264 55.2205 17.9472 179.1988 123 D 4.4608 7.6321 116.0169 57.2607 40.9954 178.4667 124 M 4.2440 7.9148 118.6943 57.6758 32.0899 178.2193 125 I 4.3860 7.7103 119.5690 62.8735 38.1882 174.0527 126 K 4.1460 7.6191 122.1295 58.8267 32.0665 174.7843 127 G 3.6345 8.6230 115.4415 45.5834 0.0000 172.8403 128 K 4.4568 8.3642 119.2645 55.6090 32.9244 177.0593 129 T 4.4532 8.1642 111.4222 60.1366 71.6296 173.8321 130 P 4.2971 0.0000 0.0000 65.6957 31.1667 178.6359 131 E 3.9851 8.0998 117.5759 59.4766 29.4202 178.2446 132 E 3.9877 7.9630 118.6372 60.0089 29.2306 179.3667 133 I 4.0569 7.7533 119.6030 64.0961 37.6884 178.1802 134 R 4.1926 8.0858 116.6946 59.2361 29.2711 178.3356 135 T 4.0416 8.2196 118.2757 66.4564 68.2782 176.5126 136 T 4.4638 8.0709 112.3602 61.6227 69.9391 175.2917 137 F 4.5791 8.7928 117.8406 58.2710 45.6987 173.6963 138 N 4.1842 8.1903 118.4251 54.4541 36.4175 172.5486 139 I 4.4502 8.4449 118.8922 58.7500 40.0852 176.0450 140 K 4.0723 8.5879 125.3524 55.8996 32.8264 176.2826 141 N 4.2126 8.8200 123.6260 53.9039 39.0198 173.8009 142 D 4.8808 8.1742 124.6880 52.8965 39.9845 175.4457 143 F 4.8766 8.1221 119.3662 57.4528 39.5471 175.9704 144 T 4.0851 8.5833 116.2350 61.0359 69.2881 173.7867 145 P 4.3443 0.0000 0.0000 65.3608 31.1582 179.0054 146 E 3.9067 8.0829 117.5359 59.2684 29.4560 178.6959 147 E 3.8440 8.0907 118.5591 59.5574 29.6091 178.9298 148 E 3.2683 8.0153 118.5927 59.1768 29.4621 178.4587 149 E 3.7458 7.9173 119.2142 59.0032 29.6861 178.2442 150 E 3.7785 8.2087 119.6509 59.3287 29.6270 179.0740 151 V 3.4789 7.6733 118.2367 65.7688 31.5999 177.9231 152 R 3.6875 7.8091 118.4666 59.3481 29.9066 178.5427 153 R 2.8277 7.8427 118.0961 59.0604 29.9875 178.7783 154 E 3.7389 8.2385 118.4756 59.5904 29.2574 179.2927 155 N 4.3751 8.0842 115.2645 55.7159 38.6841 176.5371 156 Q 4.4994 7.7139 116.5956 55.7958 30.1507 176.9211 157 W 4.8096 7.9789 118.5843 57.3601 30.4585 175.9530 158 A 4.2169 7.7576 118.3739 52.7457 20.0703 177.2860 159 F 4.8855 9.0373 122.0075 57.3561 38.6732 176.0018 160 E 4.7416 8.8667 124.8723 55.5362 29.9984 176.4613 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 5 K 8.31 4.62 0.00 1.67 1.96 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.00 4.53 1.89 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 1.12 1.41 0.93 0.00 0.00 7 V 9.02 4.86 2.12 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 1.34 0.00 0.00 0.96 0.00 0.00 8 L 8.63 4.99 0.00 1.66 1.58 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.85 4.33 0.00 1.78 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.44 4.64 0.00 4.04 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 11 S 8.73 4.30 0.00 3.98 3.95 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 12 D 7.31 4.89 0.00 2.99 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 13 G 8.25 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.83 4.74 0.00 2.04 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 2.34 2.51 0.00 15 S 8.52 4.57 0.00 3.74 3.83 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 16 F 8.65 4.60 0.00 3.16 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 17 E 8.96 4.39 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 2.30 2.43 0.00 18 V 8.52 4.67 2.12 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 0.76 0.00 0.00 1.05 0.00 0.00 19 E 8.63 4.40 0.00 1.93 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 2.30 2.35 0.00 20 E 8.18 3.99 0.00 2.07 1.85 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 2.37 2.43 0.00 21 A 7.57 4.29 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 22 V 7.57 3.76 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.48 4.38 1.30 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 24 L 7.65 4.37 0.00 1.71 1.70 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.64 3.97 0.00 2.13 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 2.33 2.36 0.00 26 S 7.46 4.51 0.00 4.01 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.59 4.28 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 28 T 7.78 4.25 4.12 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 1.05 0.00 0.00 29 I 7.90 4.05 2.06 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 1.18 1.04 0.90 0.00 0.00 30 A 8.03 3.93 1.27 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 0.00 0.00 31 H 7.73 4.53 0.00 3.35 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.88 4.84 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.50 4.19 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 0.79 0.00 0.00 0.96 0.00 0.00 34 E 7.50 4.14 0.00 1.96 1.90 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 2.28 2.22 0.00 35 D 7.75 4.59 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.80 4.84 0.00 2.78 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 37 C 8.54 4.50 0.00 3.01 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 38 V 7.63 3.84 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 1.00 0.00 0.00 0.93 0.00 0.00 39 D 7.42 4.35 0.00 2.74 2.72 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 40 N 8.10 4.69 0.00 2.72 2.84 0.00 0.00 6.91 7.65 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 41 G 7.73 4.05 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 0.00 42 V 8.11 3.77 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 0.83 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.93 0.00 2.00 2.06 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 2.03 2.19 0.00 44 L 8.62 4.84 0.00 2.04 1.90 0.97 0.72 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 45 P 0.00 4.47 0.00 2.08 2.13 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 46 N 8.01 4.68 0.00 1.50 1.99 0.00 0.00 6.58 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 47 V 7.39 4.20 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 1.05 0.00 0.00 1.14 0.00 0.00 48 T 8.37 4.16 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 1.27 0.00 0.00 49 S 8.70 4.27 0.00 4.49 3.95 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 50 K 8.11 4.03 0.00 1.90 1.82 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.57 7.81 51 I 7.61 3.79 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.93 0.00 0.00 52 L 8.01 3.82 0.00 1.64 1.62 0.67 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.83 3.99 1.57 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 54 K 7.78 4.25 0.00 2.06 2.09 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.69 1.55 7.81 55 V 7.99 3.78 2.27 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 1.11 0.00 0.00 1.02 0.00 0.00 56 I 7.75 3.77 1.93 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 1.36 0.60 0.96 0.00 0.00 57 E 8.22 4.12 0.00 2.18 2.33 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 2.64 2.52 0.00 58 Y 7.69 4.04 0.00 2.80 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.13 3.83 0.00 3.04 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 60 K 8.40 3.74 0.00 1.95 1.93 0.00 1.53 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 61 R 7.19 3.64 0.00 1.08 1.67 0.00 2.87 0.00 0.00 2.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 62 H 7.87 4.09 0.00 2.88 3.14 0.00 5.89 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 63 V 7.98 3.56 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 0.96 0.00 0.00 64 E 7.61 4.44 0.00 2.04 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 2.25 2.27 0.00 65 A 7.33 4.44 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 66 A 7.48 4.09 1.30 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 67 A 7.46 4.30 1.17 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 0.00 0.00 *80 D 8.62 4.61 0.00 2.75 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 81 D 8.06 4.50 0.00 2.76 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 82 D 7.94 4.72 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 83 L 7.67 4.10 0.00 1.70 1.75 0.81 0.82 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 84 K 7.65 4.34 0.00 2.04 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.52 7.81 85 A 7.39 4.03 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 86 W 8.19 4.24 0.00 3.49 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 87 D 8.96 4.37 0.00 3.07 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 88 A 7.59 3.98 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 89 D 7.91 4.33 0.00 2.92 2.63 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 0.00 0.00 0.00 90 F 8.08 3.91 0.00 1.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 7.34 3.95 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 92 K 7.26 4.19 0.00 1.73 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.54 7.81 93 I 6.84 4.51 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.64 0.00 0.00 94 D 8.02 4.54 0.00 2.77 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 95 Q 8.21 3.30 0.00 1.85 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 96 A 7.82 3.90 1.29 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 0.00 0.00 0.00 97 T 7.52 3.76 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 1.07 0.00 0.00 98 L 7.42 3.79 0.00 1.51 1.39 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.90 4.55 0.00 3.08 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 0.00 100 E 8.06 4.12 0.00 2.06 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 2.51 2.52 0.00 101 L 7.71 4.05 0.00 1.86 1.68 0.76 0.55 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 0.00 102 I 7.45 3.76 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.93 0.00 0.00 103 L 8.03 4.01 0.00 1.87 1.74 0.93 0.89 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 0.00 104 A 7.74 4.14 1.46 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 0.00 105 A 8.79 3.95 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 0.00 106 N 8.08 4.54 0.00 2.82 2.89 0.00 0.00 7.15 6.98 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 0.00 107 Y 7.82 4.35 0.00 3.07 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 0.00 108 L 8.23 4.35 0.00 1.66 1.43 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.33 4.92 0.00 2.59 2.74 0.00 0.00 6.75 7.94 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 0.00 110 I 7.85 4.28 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 1.10 0.00 0.00 111 K 8.33 4.03 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.60 7.81 112 N 8.24 4.44 0.00 3.06 3.12 0.00 0.00 5.87 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 0.00 113 L 7.77 3.98 0.00 1.88 1.87 0.22 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.27 4.01 0.00 1.96 1.66 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.16 4.58 0.00 2.86 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 0.00 116 L 7.14 4.53 0.00 1.86 1.63 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.61 3.87 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 1.17 0.00 0.00 118 C 8.15 4.19 0.00 3.14 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 0.00 119 Q 8.10 4.05 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 120 T 7.42 3.99 4.46 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 1.19 0.00 0.00 121 V 7.69 3.88 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 1.34 0.00 0.00 1.25 0.00 0.00 122 A 8.50 4.10 1.40 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 0.00 0.00 123 D 7.63 4.46 0.00 2.87 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 0.00 124 M 7.91 4.24 0.00 2.05 2.49 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 125 I 7.71 4.39 1.92 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 1.93 1.06 0.95 0.00 0.00 126 K 7.62 4.15 0.00 1.77 1.85 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.62 7.81 127 G 8.62 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.36 4.46 0.00 1.79 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.49 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.60 7.81 129 T 8.16 4.45 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 1.27 0.00 0.00 130 P 0.00 4.30 0.00 2.21 2.21 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 131 E 8.10 3.99 0.00 2.10 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 2.39 2.47 0.00 132 E 7.96 3.99 0.00 2.23 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 2.35 2.40 0.00 133 I 7.75 4.06 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.78 1.02 0.00 0.00 134 R 8.09 4.19 0.00 2.22 2.20 0.00 2.91 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 135 T 8.22 4.04 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 136 T 8.07 4.46 4.09 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 1.22 0.00 0.00 137 F 8.79 4.58 0.00 3.21 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 0.00 138 N 8.19 4.18 0.00 2.83 2.86 0.00 0.00 6.83 7.94 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 0.00 139 I 8.44 4.45 1.87 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 1.37 0.87 0.84 0.00 0.00 140 K 8.59 4.07 0.00 1.84 1.82 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.37 7.81 141 N 8.82 4.21 0.00 2.71 2.79 0.00 0.00 7.02 8.47 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 0.00 142 D 8.17 4.88 0.00 2.70 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 0.00 143 F 8.12 4.88 0.00 3.25 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.58 4.09 4.27 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 1.31 0.00 0.00 145 P 0.00 4.34 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.08 3.91 0.00 2.04 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 2.39 2.45 0.00 147 E 8.09 3.84 0.00 2.23 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 2.35 0.00 148 E 8.02 3.27 0.00 1.91 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 2.27 2.17 0.00 149 E 7.92 3.75 0.00 2.22 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 2.15 2.21 0.00 150 E 8.21 3.78 0.00 2.14 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 0.00 2.26 2.29 0.00 151 V 7.67 3.48 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.76 0.00 0.00 152 R 7.81 3.69 0.00 1.86 1.80 0.00 3.03 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 153 R 7.84 2.83 0.00 1.82 1.58 0.00 2.63 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 154 E 8.24 3.74 0.00 2.11 2.12 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 2.35 2.43 0.00 155 N 8.08 4.38 0.00 2.84 2.85 0.00 0.00 6.98 7.44 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 0.00 156 Q 7.71 4.50 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 157 W 7.98 4.81 0.00 3.36 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 0.00 158 A 7.76 4.22 0.36 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 0.00 159 F 9.04 4.89 0.00 3.10 2.92 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 0.00 160 E 8.87 4.74 0.00 2.09 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 2.12 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.