NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5774 8.1633 118.3392 55.3832 33.6875 173.3878 2 I 4.8179 8.1879 119.0745 59.3032 39.5048 173.6354 3 S 5.4053 9.9863 122.6068 56.8585 67.7349 172.5503 4 L 4.8962 8.7458 122.2634 53.1366 44.4733 175.3643 5 I 5.2672 8.5917 122.2614 59.4404 40.7765 174.1817 6 A 4.9559 9.0062 128.8606 50.9326 23.1955 174.4730 7 A 5.0743 8.7772 121.1314 50.1662 21.3190 175.8993 8 L 5.0009 9.1234 122.8503 53.1068 44.9832 176.9183 9 A 4.8553 8.5649 125.2408 49.7794 21.1276 176.9184 10 V 3.7039 8.2571 110.9152 63.2625 31.9410 176.8364 11 D 4.4385 9.1293 120.8612 55.2392 38.0833 174.3194 12 R 4.0154 7.9932 115.2980 57.1201 28.4603 176.0555 13 V 4.2871 7.5000 117.8234 63.0347 32.4910 174.9884 14 I 5.0528 8.5068 120.3259 58.5650 40.8749 175.1427 15 G 3.7510 8.8131 109.6351 47.0223 0.0000 172.3819 16 M 4.6474 8.6575 117.2775 56.5055 34.2739 175.3917 17 E 4.5394 7.9233 114.7360 57.6503 33.0432 175.2160 18 N 4.4747 7.9110 114.2376 52.4542 39.3228 174.9664 19 A 3.9976 8.1287 123.6519 52.2928 19.1213 177.6936 20 M 3.7885 7.8038 120.9207 54.3883 32.8792 175.9552 21 P 4.4952 0.0000 0.0000 60.3311 29.9637 174.5005 22 W 4.9465 6.8984 117.8591 56.6674 31.2176 174.8158 23 N 4.9159 9.2941 117.4053 52.6230 40.0611 172.7180 24 L 5.0092 8.2145 126.4634 50.9374 42.4926 175.4171 25 P 4.2674 0.0000 0.0000 65.7315 31.4788 178.4276 26 A 4.0763 8.4269 120.5273 54.8022 18.1074 179.1408 27 D 4.5454 7.7145 116.7382 57.5554 41.3130 178.4635 28 L 4.0781 7.9728 118.8736 57.6878 41.5586 179.1753 29 A 4.1292 8.1907 121.0028 54.7759 18.4131 179.5111 30 W 3.9327 8.1782 126.9091 60.3603 30.8237 178.0156 31 F 3.8091 8.6136 120.8830 61.0542 38.8737 177.0033 32 K 3.8815 8.6662 119.6292 59.6461 31.8562 178.7774 33 R 3.7602 7.9461 117.7537 58.9775 30.0073 177.3942 34 N 4.1491 7.2746 114.0594 53.6933 38.9366 175.5656 35 T 4.0367 6.9440 109.0396 60.8200 70.5221 174.1842 36 L 3.7709 7.3344 124.5227 56.8662 42.2750 176.1652 37 D 4.6177 8.9880 124.3124 55.0498 38.3391 173.6670 38 K 4.8161 7.5099 117.4228 53.7445 36.8792 174.0680 39 P 4.6135 0.0000 0.0000 62.8668 33.1356 175.3538 40 V 4.8349 8.8618 115.1565 59.6716 35.3377 174.4503 41 I 4.9714 8.4750 125.7806 59.7042 39.5802 174.6863 42 M 5.1414 8.7521 123.3077 53.7280 35.6190 174.6723 43 G 4.2274 8.9207 107.8522 45.1343 0.0000 174.9913 44 R 4.2368 8.6182 118.6655 59.7280 29.9565 178.0484 45 H 4.3599 8.2012 115.7492 58.8654 28.7294 177.6977 46 T 3.8819 7.9516 117.2875 66.2395 68.3698 176.0653 47 W 4.4106 8.2077 130.1702 60.8938 30.4703 177.8778 48 E 3.6807 8.0140 116.8318 59.3554 28.9094 179.2901 49 S 4.1879 7.7498 114.4829 61.5871 62.9660 176.4670 50 I 3.7287 7.7080 122.0610 62.6065 36.9558 177.7613 51 G 3.6583 9.0575 106.7504 45.0221 0.0000 172.6471 52 R 4.1192 6.4977 113.1032 54.5984 31.4899 172.4244 53 P 4.7767 0.0000 0.0000 62.4294 32.1674 176.5343 54 L 4.2539 9.6207 123.6125 53.6308 42.1365 175.4074 55 P 4.5098 0.0000 0.0000 63.7404 32.1315 176.5944 56 G 3.9397 9.0005 106.8673 45.9949 0.0000 173.0025 57 R 4.9320 7.3424 115.9448 53.9547 34.6829 174.7409 58 K 4.1785 8.2863 122.9914 55.9532 33.5363 175.3965 59 N 4.9953 8.6888 125.8019 52.3670 40.1019 173.9972 60 I 4.6655 8.4132 125.4172 59.3378 40.2101 174.7438 61 I 4.5262 8.5328 128.2081 59.2627 39.0914 174.2812 62 L 5.0013 8.6688 130.1703 54.0377 43.3461 175.0687 63 S 4.7096 8.9204 120.0427 57.9267 66.0747 175.1558 64 S 4.5413 8.8391 116.7416 58.7508 63.7845 174.3373 65 Q 4.3862 7.6132 122.1419 54.1428 29.9955 174.3099 *66 P 4.2915 0.0000 0.0000 62.3227 31.1713 177.1295 67 G 2.0000 7.8372 114.5779 43.4818 0.0000 172.9428 68 T 3.6998 7.5720 116.7586 61.7538 67.2830 171.9614 69 D 4.5741 9.7103 116.9715 55.7837 42.2990 176.0042 70 D 4.6030 8.7771 124.2064 54.2554 40.0968 177.0856 71 R 4.2245 9.5699 119.6002 57.3080 30.4656 175.9849 72 V 4.3656 6.9956 110.2082 59.6023 35.2471 174.8035 73 T 4.5232 8.3358 118.5055 61.7673 70.6806 173.8877 74 W 5.0503 8.8140 125.7534 55.1233 31.0523 175.7047 75 V 4.6683 9.1549 120.4167 60.2947 34.6615 177.2031 76 K 4.9523 9.0889 122.1176 54.0339 33.5865 177.9642 77 S 4.7929 7.7283 110.1513 56.2580 67.4277 175.0006 78 V 3.6066 8.3073 121.7583 66.5915 31.1956 178.0270 79 D 4.4376 8.0206 117.9076 57.4185 40.6924 178.4920 80 E 4.0230 8.6417 119.4259 59.0375 29.1802 179.1969 81 A 3.9877 8.4787 120.4788 55.2969 18.8396 179.3134 82 I 3.8515 8.3195 118.4921 64.6849 37.2443 178.5520 83 A 4.0300 8.1508 121.2322 55.0851 17.9597 179.4369 84 A 4.0628 7.8630 118.1570 54.9749 18.4485 179.1621 85 C 4.2096 7.8927 114.9499 61.9839 28.6952 175.2569 86 G 3.7624 7.9704 108.5774 45.0188 0.0000 173.1437 87 D 4.6437 8.4603 119.9192 53.1864 39.7845 175.9362 88 V 4.5985 7.6607 115.8240 58.4936 35.6373 174.6645 89 P 4.3988 0.0000 0.0000 65.1957 31.4825 176.9837 90 E 4.8832 7.8011 117.8715 54.8130 32.6657 174.3753 91 I 4.4082 8.8076 127.9738 60.0508 39.7160 174.3392 92 M 4.7706 8.6763 126.5537 53.6871 34.3299 175.0656 93 V 4.3333 9.8390 124.9682 61.5003 32.8913 175.7726 94 I 4.3793 9.2308 121.6502 60.7382 38.6573 175.9482 95 G 2.8775 7.9251 109.7719 44.4890 0.0000 172.7991 96 G 3.8808 8.1657 107.5644 44.3280 0.0000 173.8533 97 G 4.2679 8.9436 105.6314 48.8902 0.0000 175.3919 98 R 3.9679 7.9719 120.0546 58.4795 30.2774 179.3643 99 V 3.7289 7.7085 117.5267 66.3066 31.5544 177.5306 100 Y 4.4506 8.5862 117.3850 61.1732 37.4336 178.3497 101 E 3.9814 8.3631 118.8534 59.7461 29.6793 179.2485 102 Q 4.0597 8.1181 116.8006 58.3303 29.0642 177.8965 103 F 4.4670 8.2795 117.3162 57.8274 39.5164 177.5555 104 L 4.1245 8.2767 121.4020 58.2303 41.6042 177.3197 105 P 4.3406 0.0000 0.0000 65.0274 31.3387 177.7545 106 K 4.3445 8.0159 114.7450 55.7901 32.8760 176.7332 107 A 4.6881 7.8869 123.6182 51.9768 19.3243 177.1730 108 Q 4.6861 9.0535 118.2566 55.9712 30.8008 175.0634 109 K 5.3148 8.1585 120.7459 54.9937 36.4214 174.4874 110 L 5.1597 8.9304 125.2698 53.1855 45.6279 174.9076 111 Y 5.1240 9.2697 122.1251 56.4921 40.0206 174.7967 112 L 5.2123 9.5437 124.6854 53.0452 45.9020 175.9864 113 T 4.7768 8.6004 118.6277 62.2034 71.4194 172.8518 114 H 4.9827 9.0161 125.4785 54.6438 30.3115 174.3888 115 I 4.5202 8.5835 125.2268 59.0560 39.1833 176.1841 116 D 5.0245 8.2229 128.8774 53.2544 38.5034 175.7432 117 A 4.7474 7.5057 120.8449 50.1224 23.3173 175.9217 118 E 4.7900 8.9735 121.9530 54.6892 30.7715 175.7435 119 V 4.4698 8.2451 123.4292 60.6329 34.3960 174.2978 120 E 4.3605 8.7846 124.9049 55.5119 30.5184 175.7556 121 G 4.1418 8.1492 110.4379 44.9329 0.0000 172.5765 122 D 4.5502 8.6305 118.8819 56.8732 41.6047 177.7839 123 T 4.4854 7.6151 115.1353 63.3530 69.9766 173.7544 124 H 5.4627 8.6343 120.9543 53.5909 32.4858 173.3607 125 F 4.4673 9.3764 123.8590 57.5039 39.9208 173.5268 126 P 4.2575 0.0000 0.0000 62.3538 31.7266 175.7997 127 D 4.4303 8.6523 121.0379 54.4954 41.3076 175.0134 128 Y 4.9407 8.0753 124.7226 55.3551 40.7266 176.1170 129 E 4.4014 9.2669 124.5732 57.0034 28.3870 175.8649 130 P 4.2938 0.0000 0.0000 65.5663 32.7699 178.8450 131 D 4.4282 8.8449 117.0329 56.4961 39.9430 181.1829 132 D 4.7612 8.2384 117.7559 53.9520 40.6695 175.3844 133 W 5.5510 8.3478 120.0329 55.3018 33.2655 174.0754 134 E 4.6649 9.6688 124.0219 54.8714 31.3201 175.2780 135 S 4.8057 8.8297 118.9296 58.3152 62.8983 173.7265 136 V 4.5103 8.3975 119.6400 60.5503 32.9470 175.3589 137 F 4.6702 7.7584 117.4501 57.6566 43.5225 172.7104 138 S 4.8130 7.8445 119.9992 56.8908 65.6523 172.8829 139 E 4.3052 8.7692 127.9216 55.1972 32.6970 173.5412 140 F 4.5840 8.6314 129.7457 57.6575 41.0469 174.4392 141 H 4.3880 6.8887 120.8231 53.8192 32.7895 173.0335 142 D 4.7910 8.5452 121.5579 52.8511 41.9119 175.9805 143 A 4.5150 8.3153 122.0084 52.5490 19.1135 177.1535 144 D 4.4953 8.7279 117.4148 52.5221 41.8791 175.6948 145 A 3.7789 8.7187 120.4180 54.9241 18.5637 178.5239 146 Q 4.4132 7.8067 113.2182 56.0308 30.4228 175.5205 147 N 5.1696 8.7926 116.8433 50.9581 40.2484 175.7635 148 S 4.1072 9.0579 119.5429 61.3417 63.1535 173.5863 149 H 4.9866 7.6343 115.1222 53.8617 32.8592 173.3640 150 S 4.3978 8.5840 115.3013 59.0128 64.0306 173.2316 151 Y 4.7253 7.3179 119.6323 55.7503 41.8358 173.2514 152 C 4.6590 8.7786 121.2053 57.6080 34.8210 173.0393 153 F 4.8347 8.3013 125.4452 57.1770 40.2562 174.4509 154 E 5.4429 9.4508 122.3207 55.0523 33.6362 173.7297 155 I 5.1441 9.1462 125.9740 59.5263 40.9407 174.3884 156 L 5.3624 8.8484 125.8694 52.9861 45.3781 175.1668 157 E 5.2561 9.0292 121.9481 54.4024 32.5644 175.3118 158 R 3.5151 8.7985 125.9317 55.7742 30.6787 176.4286 159 R 4.2122 7.7952 122.0044 56.2204 29.2279 175.9237 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 M 8.16 4.58 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.82 0.00 2 I 8.19 4.82 2.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 1.04 0.00 0.00 3 S 9.99 5.41 0.00 3.84 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 4 L 8.75 4.90 0.00 1.77 1.71 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.59 5.27 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 0.95 0.00 0.00 6 A 9.01 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.78 5.07 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 8 L 9.12 5.00 0.00 1.53 1.60 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.56 4.86 1.58 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 0.00 0.00 10 V 8.26 3.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 11 D 9.13 4.44 0.00 2.92 2.89 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 0.00 0.00 0.00 12 R 7.99 4.02 0.00 2.20 2.24 0.00 3.35 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 13 V 7.50 4.29 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 0.97 0.00 0.00 0.99 0.00 0.00 14 I 8.51 5.05 2.12 0.00 0.00 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 1.47 1.02 1.28 0.00 0.00 15 G 8.81 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 0.00 0.00 0.00 16 M 8.66 4.65 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 17 E 7.92 4.54 0.00 1.83 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 0.00 2.17 2.34 0.00 18 N 7.91 4.47 0.00 2.69 2.67 0.00 0.00 6.85 7.35 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 19 A 8.13 4.00 1.10 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 0.00 0.00 20 M 7.80 3.79 0.00 0.51 0.57 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 2.10 2.10 0.00 21 P 0.00 4.50 0.00 2.19 2.03 0.00 3.36 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 1.97 1.88 0.00 22 W 6.90 4.95 0.00 3.35 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.29 4.92 0.00 2.83 2.75 0.00 0.00 7.38 6.29 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 24 L 8.21 5.01 0.00 1.52 1.08 0.16 0.76 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 25 P 0.00 4.27 0.00 2.26 2.32 0.00 3.92 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 2.06 2.04 0.00 26 A 8.43 4.08 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 27 D 7.71 4.55 0.00 2.55 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 28 L 7.97 4.08 0.00 1.76 1.72 0.91 0.88 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 29 A 8.19 4.13 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 30 W 8.18 3.93 0.00 2.90 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 31 F 8.61 3.81 0.00 3.20 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 32 K 8.67 3.88 0.00 1.99 1.95 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 33 R 7.95 3.76 0.00 1.72 2.03 0.00 3.19 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.00 34 N 7.27 4.15 0.00 1.93 1.75 0.00 0.00 6.85 6.88 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 35 T 6.94 4.04 3.84 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 0.21 0.00 0.00 36 L 7.33 3.77 0.00 1.73 1.52 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.99 4.62 0.00 2.79 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 38 K 7.51 4.82 0.00 1.67 1.51 0.00 1.44 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.37 7.81 39 P 0.00 4.61 0.00 2.04 2.11 0.00 3.73 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 2.01 1.95 0.00 40 V 8.86 4.83 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 0.65 0.00 0.00 1.00 0.00 0.00 41 I 8.47 4.97 1.53 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.78 0.00 0.00 42 M 8.75 5.14 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 43 G 8.92 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 0.00 0.00 0.00 0.00 44 R 8.62 4.24 0.00 2.09 1.98 0.00 3.44 0.00 0.00 3.74 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 45 H 8.20 4.36 0.00 3.32 3.36 0.00 5.87 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 46 T 7.95 3.88 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 1.24 0.00 0.00 47 W 8.21 4.41 0.00 3.28 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.01 3.68 0.00 2.13 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 0.00 2.71 2.52 0.00 49 S 7.75 4.19 0.00 3.94 3.84 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 50 I 7.71 3.73 1.74 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 1.33 0.58 0.86 0.00 0.00 51 G 9.06 3.66 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 0.00 0.00 0.00 52 R 6.50 4.12 0.00 1.81 1.79 0.00 3.04 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 53 P 0.00 4.78 0.00 2.15 2.15 0.00 3.74 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 2.15 2.39 0.00 54 L 9.62 4.25 0.00 1.73 1.68 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.51 0.00 2.18 2.06 0.00 3.88 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 1.99 1.97 0.00 56 G 9.00 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 0.00 0.00 0.00 57 R 7.34 4.93 0.00 1.76 1.80 0.00 3.13 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.49 0.00 58 K 8.29 4.18 0.00 1.83 1.63 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.36 7.81 59 N 8.69 5.00 0.00 2.59 2.60 0.00 0.00 6.92 7.28 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 60 I 8.41 4.67 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 1.13 0.59 0.84 0.00 0.00 61 I 8.53 4.53 0.56 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.50 0.00 0.00 62 L 8.67 5.00 0.00 1.75 1.61 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.92 4.71 0.00 4.07 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 64 S 8.84 4.54 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 65 Q 7.61 4.39 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 *66 P 0.00 4.29 0.00 2.09 1.85 0.00 3.74 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 1.94 1.60 0.00 67 G 7.84 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.57 3.70 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 1.21 0.00 0.00 69 D 9.71 4.57 0.00 3.12 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 70 D 8.78 4.60 0.00 2.86 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 71 R 9.57 4.22 0.00 1.76 2.06 0.00 3.18 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.04 0.00 72 V 7.00 4.37 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 0.44 0.00 0.00 -0.29 0.00 0.00 73 T 8.34 4.52 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 1.18 0.00 0.00 74 W 8.81 5.05 0.00 3.04 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 75 V 9.15 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 0.74 0.00 0.00 0.99 0.00 0.00 76 K 9.09 4.95 0.00 1.72 1.68 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.17 7.81 77 S 7.73 4.79 0.00 4.02 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 78 V 8.31 3.61 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 0.66 0.00 0.00 0.57 0.00 0.00 79 D 8.02 4.44 0.00 2.73 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 80 E 8.64 4.02 0.00 2.19 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 2.35 2.34 0.00 81 A 8.48 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.32 3.85 2.07 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 1.70 1.12 0.98 0.00 0.00 83 A 8.15 4.03 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 84 A 7.86 4.06 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 0.00 0.00 0.00 0.00 0.00 85 C 7.89 4.21 0.00 3.24 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 86 G 7.97 3.76 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 0.00 0.00 0.00 87 D 8.46 4.64 0.00 2.67 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 88 V 7.66 4.60 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 0.72 0.00 0.00 0.91 0.00 0.00 89 P 0.00 4.40 0.00 2.02 2.10 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 90 E 7.80 4.88 0.00 1.91 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 2.18 2.38 0.00 91 I 8.81 4.41 1.86 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 1.20 0.59 0.81 0.00 0.00 92 M 8.68 4.77 0.00 1.71 1.90 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 93 V 9.84 4.33 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 0.76 0.00 0.00 0.18 0.00 0.00 94 I 9.23 4.38 2.15 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 1.04 0.00 0.00 95 G 7.93 2.88 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 96 G 8.17 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 97 G 8.94 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 0.00 0.00 0.00 0.00 98 R 7.97 3.97 0.00 1.87 2.03 0.00 3.50 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 99 V 7.71 3.73 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 1.15 0.00 0.00 1.01 0.00 0.00 100 Y 8.59 4.45 0.00 3.10 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 0.00 101 E 8.36 3.98 0.00 2.12 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 2.53 0.00 102 Q 8.12 4.06 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 103 F 8.28 4.47 0.00 3.24 3.20 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 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1.32 1.15 0.46 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.60 4.78 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 0.95 0.00 0.00 114 H 9.02 4.98 0.00 2.99 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.58 4.52 1.35 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 0.63 0.81 0.26 0.00 0.00 116 D 8.22 5.02 0.00 2.60 2.67 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 0.00 117 A 7.51 4.75 1.14 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 0.00 0.00 0.00 118 E 8.97 4.79 0.00 2.00 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 2.27 2.31 0.00 119 V 8.25 4.47 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 0.86 0.00 0.00 1.09 0.00 0.00 120 E 8.78 4.36 0.00 2.13 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 0.00 2.26 2.31 0.00 121 G 8.15 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 0.00 0.00 0.00 0.00 122 D 8.63 4.55 0.00 2.69 2.75 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 0.00 123 T 7.62 4.49 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 1.30 0.00 0.00 124 H 8.63 5.46 0.00 3.09 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.38 4.47 0.00 2.99 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 0.00 126 P 0.00 4.26 0.00 1.91 1.89 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.91 0.00 127 D 8.65 4.43 0.00 2.63 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 0.00 128 Y 8.08 4.94 0.00 3.02 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 0.00 129 E 9.27 4.40 0.00 2.25 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 0.00 2.30 1.88 0.00 130 P 0.00 4.29 0.00 2.38 2.34 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 131 D 8.84 4.43 0.00 2.65 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 0.00 132 D 8.24 4.76 0.00 2.55 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 0.00 133 W 8.35 5.55 0.00 3.26 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 0.00 134 E 9.67 4.66 0.00 2.05 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 2.30 2.30 0.00 135 S 8.83 4.81 0.00 4.15 3.89 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 0.00 0.00 0.00 136 V 8.40 4.51 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 0.82 0.00 0.00 1.06 0.00 0.00 137 F 7.76 4.67 0.00 3.14 2.93 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 0.00 138 S 7.84 4.81 0.00 3.78 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.77 4.31 0.00 1.61 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 2.11 2.21 0.00 140 F 8.63 4.58 0.00 2.94 2.75 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 0.00 141 H 6.89 4.39 0.00 1.40 2.25 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.55 4.79 0.00 2.50 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 4.52 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 0.00 144 D 8.73 4.50 0.00 2.87 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 0.00 145 A 8.72 3.78 1.31 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 0.00 0.00 146 Q 7.81 4.41 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 147 N 8.79 5.17 0.00 2.87 2.71 0.00 0.00 6.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 9.06 4.11 0.00 3.91 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 0.00 149 H 7.63 4.99 0.00 2.89 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.58 4.40 0.00 3.83 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 0.00 151 Y 7.32 4.73 0.00 2.46 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 C 8.78 4.66 0.00 2.99 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 0.00 153 F 8.30 4.83 0.00 2.73 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 9.45 5.44 0.00 2.04 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 2.26 2.53 0.00 155 I 9.15 5.14 2.00 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 1.50 1.21 0.63 0.00 0.00 156 L 8.85 5.36 0.00 1.39 1.69 0.79 1.13 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 0.00 157 E 9.03 5.26 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 158 R 8.80 3.52 0.00 0.78 1.47 0.00 3.03 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.00 159 R 7.80 4.21 0.00 2.04 1.81 0.00 3.26 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 1.53 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.