NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1859 8.1849 120.6526 54.4346 44.1636 177.1295 *4 K 4.1243 7.5884 117.5632 55.5338 34.4262 176.3577 5 V 3.8277 8.4041 121.1214 66.6700 31.3389 178.4067 6 A 4.6157 8.0228 120.8457 54.6475 18.1428 179.3742 7 E 3.9266 8.0156 116.7969 59.4543 29.6240 179.1495 8 F 4.3212 8.1559 117.8002 60.8522 39.1549 177.3409 9 E 4.1743 8.6363 118.1424 59.7994 29.2813 179.5723 10 R 4.0083 8.4552 118.6942 59.4098 30.0560 178.6457 11 L 4.0584 8.1402 118.8313 57.7734 41.6714 179.3750 12 F 4.0788 8.5562 117.7813 60.5883 38.8604 177.9077 13 R 4.0501 8.5136 117.8083 59.6322 29.7563 179.2467 14 Q 4.0671 8.1692 116.3097 58.9322 28.7944 178.3982 15 A 4.2868 8.2003 120.8180 54.3360 18.6240 178.2310 16 A 4.5244 7.8446 115.1570 51.2433 21.4662 175.8181 17 G 4.0132 8.4960 104.6297 47.1251 0.0000 173.8915 18 L 5.0291 7.9259 116.9113 52.7053 44.8102 176.7106 19 D 4.8803 8.7099 122.2005 52.7893 42.5929 176.1078 20 V 3.9974 8.0591 117.6067 59.5844 32.9888 176.0305 21 D 4.3738 8.5489 125.1342 53.8676 41.5082 176.9718 22 K 3.9048 8.7820 125.4640 59.8215 32.1773 178.2450 23 N 4.5786 9.2049 114.1591 54.5703 38.6335 175.5953 24 D 4.7145 8.1856 118.5484 54.6318 42.7273 178.0224 25 L 3.5962 7.3085 118.9463 57.4492 41.4466 179.3772 26 K 3.8005 7.7985 118.9582 59.4984 32.2421 178.6943 27 R 3.8014 7.7441 118.4599 59.2632 30.0449 178.3197 28 V 3.3034 7.5521 118.0539 65.9043 31.3431 177.9304 29 S 4.1133 7.8941 112.8379 61.6465 62.2298 175.9175 30 D 4.3310 8.2445 121.6869 57.1473 40.6338 178.5757 31 F 4.1486 8.6699 121.6033 61.4470 39.3706 177.2894 32 L 3.8339 8.0554 118.5028 57.3343 41.3003 179.3960 33 R 3.8843 8.2605 119.3242 59.4815 29.9747 178.3697 34 N 4.3427 8.3223 116.4985 56.1697 38.4935 177.6355 35 K 3.9279 7.6598 119.6911 59.2043 32.0842 179.2272 36 L 3.9636 8.2492 121.1040 58.1356 41.9171 178.3344 37 Y 4.0064 8.3217 119.8160 60.8739 38.7294 177.8774 38 D 4.3088 8.4555 119.8669 57.1761 40.8763 178.7370 39 L 3.9395 7.8408 119.6373 57.8690 41.5516 179.6134 40 L 3.9283 7.8767 118.6683 57.4719 41.4471 179.4153 41 A 3.7367 7.8991 121.1998 54.9452 18.1733 179.9060 42 V 3.4879 7.7401 116.6519 65.9424 31.5134 178.1044 43 A 4.5209 7.9093 121.9526 54.6796 18.1979 179.2446 44 E 3.8283 8.4273 118.1293 59.2505 29.6674 178.9968 45 R 3.9018 7.7994 118.4302 59.6138 30.1692 178.3371 46 N 4.3888 8.4745 116.2355 56.0851 38.4696 177.3274 47 A 4.0783 8.3870 122.6175 55.2429 18.5129 179.9067 48 K 3.9769 8.2732 117.0725 59.6876 31.8677 178.9777 49 Y 4.0917 8.1245 119.1399 60.3608 38.7538 176.9234 50 N 4.7243 8.1950 114.8512 52.1887 39.0158 174.9997 51 G 3.8761 7.9389 108.1529 47.0497 0.0000 174.2017 52 R 4.7419 8.0273 116.9071 54.3494 32.8358 176.1823 53 D 4.7955 8.6342 118.9312 54.4177 41.4594 176.3082 54 L 4.9648 7.4382 118.0189 52.9285 46.0279 175.6562 55 I 4.4254 8.0694 122.5023 60.2995 38.9913 175.1824 56 F 4.9791 9.3776 124.9741 55.1506 42.6654 176.0712 57 E 3.9524 9.2497 120.5549 59.2146 29.3607 177.4643 58 P 4.4176 0.0000 0.0000 65.1662 31.8670 177.3177 59 D 4.5079 8.3029 118.5738 56.7216 41.0034 176.6761 60 L 4.3877 7.7137 119.8170 53.9161 42.2902 176.4680 61 P 4.4540 0.0000 0.0000 61.6799 29.6459 174.5718 62 I 4.1176 7.3667 122.0110 60.3190 38.0428 176.5037 63 A 4.2724 8.1655 127.5661 50.9886 20.4931 177.3039 64 K 3.8526 8.6946 121.6556 59.9698 32.1603 179.1599 65 G 3.5902 7.9868 105.2030 47.7366 0.0000 175.3151 66 L 3.9941 7.8138 122.3484 57.6884 42.1979 178.5375 67 Q 3.9643 8.2551 119.7706 59.3942 29.0143 178.3367 68 E 4.0624 8.3020 119.4262 59.5370 29.3420 179.5029 69 T 3.9887 7.8167 115.9048 66.2744 68.4882 176.5428 70 L 4.0270 8.2504 122.7716 58.4446 42.1227 179.1755 71 Q 4.0546 8.2923 117.9476 58.7808 28.3665 178.2333 72 E 3.9458 7.9969 119.8169 59.1541 29.7261 178.4512 73 F 4.2938 8.2464 119.8840 61.4608 39.6200 176.8714 74 R 3.7719 7.9931 116.3576 58.9457 31.0184 178.9592 75 R 4.1069 7.4773 117.9529 55.5401 27.5535 176.9309 *77 D 4.2025 7.5875 115.5256 54.7824 42.6412 176.1211 78 T 4.3020 7.2045 114.8501 61.6767 70.6620 174.0536 79 A 4.4702 8.5132 130.2392 50.9294 19.6652 176.1647 80 L 4.8076 8.2840 122.8873 52.7117 44.2791 176.4852 81 E 4.2114 8.4035 121.2712 56.2103 30.5877 177.6438 82 L 4.1044 8.5547 123.5043 58.0522 42.2892 179.0291 83 K 3.8519 8.1038 118.1223 59.5080 31.9995 177.0474 84 P 4.2539 0.0000 0.0000 65.4581 31.1760 178.9652 85 V 3.5707 7.6374 116.6035 66.0200 31.6192 177.9676 86 L 4.0049 7.9534 118.7470 57.9579 41.2134 179.3048 87 D 4.3760 8.3427 118.1395 57.1175 40.8773 178.3987 88 A 4.1448 8.1944 121.4244 55.2677 18.4623 179.7842 89 L 4.0170 8.2319 117.1547 57.4879 41.4638 179.1734 90 A 4.1566 7.8004 119.3428 53.9851 18.3576 178.7556 91 A 4.1056 7.6576 118.5931 52.7593 18.7148 177.2119 92 L 4.4845 6.9147 116.5501 51.6266 44.0956 174.5300 93 P 4.2967 0.0000 0.0000 62.5102 31.6676 175.0009 94 P 4.5321 0.0000 0.0000 62.2765 32.1143 176.3125 95 L 4.2104 8.1769 120.2134 54.9442 42.2534 177.2093 96 D 4.4888 8.9965 121.2098 56.5129 41.2880 176.8721 97 L 4.6759 8.5551 118.1637 52.8830 43.7684 176.5757 98 E 4.1308 8.5442 122.4719 56.3950 30.9539 175.7382 99 V 4.4981 8.0848 118.7559 59.6742 33.5060 175.8925 100 A 3.9594 8.4649 126.5122 51.5143 19.2853 178.3019 101 E 3.8970 8.9308 119.9109 59.3278 29.3253 179.0660 102 D 4.3961 8.0982 118.9273 56.5431 39.3862 178.7158 103 V 3.6050 7.6666 119.1796 65.4041 31.4035 177.8876 104 R 3.8908 7.7582 117.0228 59.6555 30.4655 178.6677 105 N 4.5003 8.0402 115.1587 55.7927 38.3907 177.3685 106 L 3.9374 7.6002 122.1425 57.7143 42.0869 178.4948 107 L 3.9408 8.0640 119.5987 57.6106 41.6861 177.9379 108 P 4.1895 0.0000 0.0000 65.9262 31.1998 178.2270 109 E 3.9488 7.6704 116.1129 59.0930 29.3427 179.2668 110 L 3.9127 8.2904 119.3153 57.5621 41.6367 179.2989 111 A 4.0222 8.0396 121.0193 55.0412 18.1975 179.9616 112 G 2.4575 7.4758 103.8285 47.5006 0.0000 175.7674 113 A 3.9417 7.5851 123.8744 54.7598 18.2487 179.7496 114 L 4.1247 8.2669 117.9455 57.9393 41.6844 179.9454 115 V 3.5205 7.7513 118.2821 65.8362 31.4892 178.2325 116 V 3.5405 8.0887 118.1236 65.9652 31.3606 177.8541 117 A 4.1164 8.5672 120.9355 55.3445 17.7968 178.9515 118 Y 4.0060 8.6572 118.1188 60.8012 38.9467 178.1086 119 A 4.1998 8.4875 122.0862 55.4859 18.4944 179.9294 120 R 3.9759 8.2140 116.4455 59.1013 30.0156 179.5203 121 V 3.6321 8.0984 118.5000 65.9416 31.6253 177.9875 122 L 3.8574 7.8159 118.7954 57.7224 40.8824 179.5127 123 K 3.9967 7.9533 119.3989 59.4559 31.9032 178.8497 124 E 4.0467 8.0954 118.2737 59.3234 29.4416 179.0130 125 L 4.3783 7.9739 118.3778 56.6170 42.7346 177.3231 126 D 4.6826 8.0706 118.4711 51.5563 42.5835 173.4848 127 P 4.2405 0.0000 0.0000 64.4901 31.6068 177.2477 128 A 4.4098 7.7653 116.9969 51.5363 19.3253 176.8170 129 L 4.0322 7.7345 118.7581 55.7041 42.8181 176.8141 130 K 4.4721 8.6068 120.6381 57.3515 35.4417 175.2428 131 N 5.4585 7.7209 115.6468 49.9886 38.9926 171.8488 132 P 4.1732 0.0000 0.0000 62.3092 32.5403 176.2779 133 Q 4.7495 8.2853 117.0620 54.1677 32.0361 175.9625 134 T 3.8793 8.4952 113.4411 67.3394 68.2957 175.9044 135 E 3.9579 8.2101 119.6260 59.8216 29.3733 179.1705 136 H 4.1535 8.1933 116.2066 59.0910 28.6697 177.5749 137 H 4.2682 7.9389 118.8719 58.3758 28.7070 177.5124 138 E 3.8677 8.2452 120.4133 59.3620 29.2521 179.4788 139 R 3.8656 7.8548 118.1497 59.2370 30.1021 178.3620 140 A 3.9091 8.1147 120.8152 55.2050 18.2003 179.4595 141 E 3.5612 8.2288 117.1773 59.4279 29.1703 179.7911 142 R 3.9675 7.5347 116.7786 59.1533 30.4147 179.0238 143 V 3.8004 7.8664 117.9607 66.1213 31.5389 177.9532 144 F 4.1030 8.7402 117.6717 60.9183 38.6598 177.3973 145 N 4.6443 8.7112 114.8423 56.2592 38.3424 177.0293 146 L 4.2381 7.8192 119.8989 56.6348 41.8328 177.6067 147 L 4.6817 7.8820 115.1819 53.9499 44.0896 176.0227 148 L 4.2780 8.2358 125.3644 55.0465 42.2923 175.6237 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 L 8.18 4.19 0.00 1.79 1.76 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *4 K 7.59 4.12 0.00 1.84 1.78 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.68 7.81 5 V 8.40 3.83 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 1.12 0.00 0.00 1.01 0.00 0.00 6 A 8.02 4.62 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 7 E 8.02 3.93 0.00 2.19 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 2.39 2.39 0.00 8 F 8.16 4.32 0.00 3.42 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 9 E 8.64 4.17 0.00 2.29 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 0.00 2.40 2.69 0.00 10 R 8.46 4.01 0.00 2.02 2.16 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 11 L 8.14 4.06 0.00 1.92 1.67 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.56 4.08 0.00 3.31 3.32 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 13 R 8.51 4.05 0.00 2.11 2.04 0.00 3.26 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 14 Q 8.17 4.07 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 15 A 8.20 4.29 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 16 A 7.84 4.52 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 17 G 8.50 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.93 5.03 0.00 1.75 1.64 1.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.71 4.88 0.00 2.66 2.57 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 20 V 8.06 4.00 1.66 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 -0.48 0.00 0.00 0.53 0.00 0.00 21 D 8.55 4.37 0.00 2.67 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 22 K 8.78 3.90 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.46 7.81 23 N 9.20 4.58 0.00 2.75 2.82 0.00 0.00 6.85 8.12 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 24 D 8.19 4.71 0.00 2.56 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 0.00 0.00 0.00 0.00 25 L 7.31 3.60 0.00 1.69 1.46 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.80 3.80 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 27 R 7.74 3.80 0.00 1.88 1.93 0.00 3.29 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 28 V 7.55 3.30 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 0.62 0.00 0.00 0.66 0.00 0.00 29 S 7.89 4.11 0.00 3.88 3.97 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 30 D 8.24 4.33 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 31 F 8.67 4.15 0.00 3.05 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 32 L 8.06 3.83 0.00 1.72 1.67 0.86 0.53 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 33 R 8.26 3.88 0.00 1.88 2.06 0.00 3.38 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 34 N 8.32 4.34 0.00 2.82 2.80 0.00 0.00 7.03 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 35 K 7.66 3.93 0.00 1.85 1.82 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.33 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.95 1.40 7.81 36 L 8.25 3.96 0.00 1.83 1.85 0.89 1.02 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 Y 8.32 4.01 0.00 3.17 3.13 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 38 D 8.46 4.31 0.00 2.90 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 39 L 7.84 3.94 0.00 1.85 1.67 0.90 0.59 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 40 L 7.88 3.93 0.00 1.63 1.54 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.90 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.74 3.49 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 1.03 0.00 0.00 0.96 0.00 0.00 43 A 7.91 4.52 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 44 E 8.43 3.83 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 2.28 2.29 0.00 45 R 7.80 3.90 0.00 2.00 2.09 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 46 N 8.47 4.39 0.00 2.93 2.88 0.00 0.00 6.94 7.82 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 47 A 8.39 4.08 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 48 K 8.27 3.98 0.00 2.01 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 49 Y 8.12 4.09 0.00 3.05 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.19 4.72 0.00 2.93 2.87 0.00 0.00 7.03 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 51 G 7.94 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 52 R 8.03 4.74 0.00 2.02 2.10 0.00 3.43 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 53 D 8.63 4.80 0.00 2.68 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 54 L 7.44 4.96 0.00 1.28 0.85 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.07 4.43 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.85 0.00 0.00 56 F 9.38 4.98 0.00 2.93 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 57 E 9.25 3.95 0.00 2.09 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 2.34 2.33 0.00 58 P 0.00 4.42 0.00 2.12 2.12 0.00 3.81 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 2.03 2.13 0.00 59 D 8.30 4.51 0.00 2.94 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.71 4.39 0.00 1.77 1.59 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.45 0.00 2.14 2.05 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 62 I 7.37 4.12 1.86 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 1.33 0.60 0.90 0.00 0.00 63 A 8.17 4.27 1.24 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 0.00 0.00 64 K 8.69 3.85 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 65 G 7.99 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.81 3.99 0.00 1.72 1.77 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.26 3.96 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 68 E 8.30 4.06 0.00 2.20 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 2.33 2.68 0.00 69 T 7.82 3.99 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 1.30 0.00 0.00 70 L 8.25 4.03 0.00 1.83 1.86 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.29 4.05 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 72 E 8.00 3.95 0.00 2.15 2.23 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 2.36 2.41 0.00 73 F 8.25 4.29 0.00 3.06 3.33 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 0.00 0.00 0.00 74 R 7.99 3.77 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 75 R 7.48 4.11 0.00 1.92 1.88 0.00 3.19 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 *77 D 7.59 4.20 0.00 2.58 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 78 T 7.20 4.30 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 1.28 0.00 0.00 79 A 8.51 4.47 1.24 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 0.00 0.00 80 L 8.28 4.81 0.00 1.65 1.54 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.40 4.21 0.00 1.94 1.87 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 2.31 2.29 0.00 82 L 8.55 4.10 0.00 1.71 1.64 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.10 3.85 0.00 1.83 1.88 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.57 7.81 84 P 0.00 4.25 0.00 2.27 2.09 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 85 V 7.64 3.57 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 1.06 0.00 0.00 0.99 0.00 0.00 86 L 7.95 4.00 0.00 1.87 1.70 0.91 0.90 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 87 D 8.34 4.38 0.00 2.80 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 88 A 8.19 4.14 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 89 L 8.23 4.02 0.00 1.89 1.84 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.80 4.16 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 91 A 7.66 4.11 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 92 L 6.91 4.48 0.00 1.40 0.80 0.32 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.30 0.00 2.20 2.07 0.00 3.48 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 2.05 2.09 0.00 94 P 0.00 4.53 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 95 L 8.18 4.21 0.00 1.63 1.83 0.85 0.94 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 96 D 9.00 4.49 0.00 2.66 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 97 L 8.56 4.68 0.00 1.43 1.53 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.54 4.13 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 99 V 8.08 4.50 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.87 0.00 0.00 100 A 8.46 3.96 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 0.00 101 E 8.93 3.90 0.00 2.09 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 2.39 2.44 0.00 102 D 8.10 4.40 0.00 2.97 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 0.00 103 V 7.67 3.61 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 1.09 0.00 0.00 0.95 0.00 0.00 104 R 7.76 3.89 0.00 1.97 1.97 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 105 N 8.04 4.50 0.00 2.76 2.88 0.00 0.00 6.75 6.85 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 0.00 106 L 7.60 3.94 0.00 1.89 1.78 0.94 0.52 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 0.00 107 L 8.06 3.94 0.00 1.82 1.71 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.19 0.00 2.36 2.44 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 109 E 7.67 3.95 0.00 2.32 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 0.00 2.59 2.44 0.00 110 L 8.29 3.91 0.00 1.79 1.66 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.04 4.02 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 0.00 112 G 7.48 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 0.00 0.00 0.00 113 A 7.59 3.94 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 0.00 114 L 8.27 4.12 0.00 1.83 1.82 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.75 3.52 2.13 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 0.64 0.00 0.00 1.10 0.00 0.00 116 V 8.09 3.54 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 1.03 0.00 0.00 1.16 0.00 0.00 117 A 8.57 4.12 1.60 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 0.00 0.00 118 Y 8.66 4.01 0.00 2.87 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 0.00 119 A 8.49 4.20 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 0.00 120 R 8.21 3.98 0.00 2.06 2.03 0.00 3.18 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 121 V 8.10 3.63 2.31 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 1.16 0.00 0.00 1.24 0.00 0.00 122 L 7.82 3.86 0.00 1.96 1.64 1.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.95 4.00 0.00 1.88 1.99 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 124 E 8.10 4.05 0.00 2.15 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 2.58 2.51 0.00 125 L 7.97 4.38 0.00 1.75 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.07 4.68 0.00 2.73 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 0.00 127 P 0.00 4.24 0.00 2.03 2.15 0.00 3.71 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 2.04 2.09 0.00 128 A 7.77 4.41 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 0.00 129 L 7.73 4.03 0.00 1.59 1.63 0.61 0.29 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 0.00 130 K 8.61 4.47 0.00 1.78 1.74 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 131 N 7.72 5.46 0.00 2.63 2.69 0.00 0.00 6.91 8.02 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 P 0.00 4.17 0.00 1.94 1.85 0.00 3.88 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 133 Q 8.29 4.75 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 134 T 8.50 3.88 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 1.19 0.00 0.00 135 E 8.21 3.96 0.00 1.92 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 2.35 2.43 0.00 136 H 8.19 4.15 0.00 3.23 3.21 0.00 5.82 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 0.00 137 H 7.94 4.27 0.00 3.34 3.34 0.00 5.90 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 0.00 138 E 8.25 3.87 0.00 1.98 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 2.29 2.56 0.00 139 R 7.85 3.87 0.00 1.92 2.04 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 140 A 8.11 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.23 3.56 0.00 1.97 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 1.47 1.72 0.00 142 R 7.53 3.97 0.00 2.01 2.02 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 143 V 7.87 3.80 2.35 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 1.11 0.00 0.00 0.99 0.00 0.00 144 F 8.74 4.10 0.00 3.66 3.56 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 0.00 145 N 8.71 4.64 0.00 3.00 3.02 0.00 0.00 7.13 8.53 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 0.00 146 L 7.82 4.24 0.00 1.82 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.88 4.68 0.00 1.47 1.59 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.24 4.28 0.00 1.32 1.51 0.87 0.81 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 * Residues marked with a * may have inaccurate shift predictions.