NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3400 8.3049 120.3477 54.5712 33.3947 174.6111 2 I 3.4748 8.3032 121.7750 61.6946 37.1632 175.1464 3 S 4.2785 8.9860 122.7757 58.9621 64.2518 174.5581 4 G 3.8245 7.2581 104.8371 45.2203 0.0000 170.5972 5 L 4.0686 7.9666 122.0955 54.9819 42.8225 177.2657 6 S 4.4171 8.5065 121.0169 59.4952 62.9257 173.0901 7 H 4.6893 6.4932 111.6513 55.4781 30.2602 173.0107 8 I 4.4103 7.4705 118.8572 59.7108 40.3081 174.6251 9 T 5.0553 8.4699 123.1673 61.7706 70.5615 173.6419 10 L 4.8595 9.0224 126.2789 52.9765 45.1261 175.3551 11 I 5.0645 8.4245 122.6155 60.0444 39.0757 175.4403 12 V 4.7752 8.8602 118.6637 59.7746 35.8150 176.5101 13 K 4.0900 9.6951 123.8933 57.6122 32.5723 176.8259 14 D 4.7964 7.8485 117.5744 51.5540 43.2670 175.5118 15 L 4.0558 8.9828 129.8428 58.4980 42.3045 178.6139 16 N 4.4733 8.2366 115.8762 56.1364 38.3847 177.4658 17 K 4.0082 9.6336 121.1412 59.8952 32.1675 179.5559 18 T 4.1930 8.1148 115.9829 66.9379 68.2921 176.5760 19 T 3.8084 8.1422 117.4548 66.9382 68.6191 176.1202 20 A 4.3598 8.0127 123.1380 54.5292 18.4206 179.5074 21 F 4.1416 8.2045 118.8253 61.5766 39.5986 177.2977 22 L 3.9697 8.4346 118.9761 57.8589 40.8371 179.7181 23 Q 4.0452 8.4034 118.1464 59.2540 28.5725 178.5560 24 N 4.3307 8.5283 116.0547 55.3664 38.5013 176.2284 25 I 3.9968 6.9978 118.3208 62.4399 38.9487 176.6798 26 F 4.3436 7.4768 113.8892 56.7144 39.2866 175.2279 27 N 4.7438 8.3396 115.8700 52.6845 36.0014 174.2081 28 A 4.2906 7.8617 118.5606 52.4647 19.6140 177.8960 29 E 4.6470 8.9936 122.5914 54.1101 31.6701 174.8566 30 E 4.1477 9.0791 129.2854 56.3658 29.9430 176.2348 31 I 4.6611 8.6621 118.2236 60.4909 39.4458 174.4901 32 Y 4.6072 7.5169 122.3273 56.9680 41.9795 172.7639 33 S 4.7882 6.9142 118.8311 57.3934 65.8641 173.3643 34 S 4.1258 8.5069 118.8907 58.3315 66.6464 172.7496 35 G 3.7190 9.2295 109.9142 47.8813 0.0000 171.9678 36 D 4.7783 8.0972 126.4354 51.5508 42.1397 177.1371 37 K 3.9720 8.8646 126.9546 60.4408 32.7039 179.1285 38 T 3.8842 8.2256 115.0225 66.0699 68.3787 174.4513 39 F 4.6178 8.1285 120.6707 57.3283 39.6687 175.4858 40 S 3.6540 8.2205 112.3791 58.5052 59.1435 172.6060 41 L 4.6268 8.2580 120.8464 53.2273 45.6538 177.1765 42 S 4.3831 9.0178 119.2629 58.9372 64.0300 174.2240 43 K 4.6139 8.6907 120.9786 56.5712 33.6745 175.5923 44 E 5.3700 8.9367 119.8958 55.3532 33.6871 174.0005 45 K 5.0299 9.3573 118.4009 55.1135 37.5102 175.2425 46 F 5.8722 8.9718 120.6452 56.1450 42.2531 174.4551 47 F 5.5057 10.1125 122.0273 55.7015 43.1443 174.0045 48 L 5.3474 8.9076 120.2163 53.2665 44.6864 175.9850 49 I 4.4844 8.5559 123.2589 59.3474 40.6345 175.4129 50 A 3.8401 9.6819 132.2863 53.2645 15.8107 178.1497 51 G 3.9796 8.5519 107.6024 46.4162 0.0000 173.6102 52 L 4.5265 7.7148 122.7428 52.8615 43.3327 174.8934 53 W 4.9866 8.9047 135.0000 57.7449 31.9441 174.4209 54 I 4.8468 9.5234 129.4689 59.7151 39.4845 174.1354 55 C 5.4614 8.9305 128.1754 57.8069 33.8127 172.1998 56 I 5.0721 9.1950 127.0883 59.8680 39.4087 174.3187 57 M 5.3021 9.3356 126.8446 53.6252 35.8524 173.6341 58 E 4.8095 8.6344 125.4631 55.6904 30.6355 176.1281 59 G 4.1402 8.8661 113.3892 47.0686 0.0000 172.2614 60 D 4.8054 8.9852 121.8940 54.0460 41.8377 176.3689 61 S 4.4832 8.2725 118.0321 57.3399 63.8127 174.2227 62 L 4.0051 8.1469 122.5122 55.2264 41.3930 178.8672 63 Q 3.8610 8.7198 123.4176 58.2502 28.9863 176.4199 64 E 4.7068 7.4582 115.2547 54.5600 33.6690 174.7484 65 R 4.4326 8.4707 120.8085 55.3977 30.9498 176.0159 66 T 4.7666 8.3670 112.4019 60.2060 71.7380 172.8177 67 Y 4.6359 8.4489 119.9280 57.4510 38.8590 175.0233 68 N 4.4396 7.6802 116.8758 54.0856 39.0476 173.7439 69 H 4.8436 7.7387 116.0403 55.2948 31.8014 172.3519 70 I 4.3680 7.7851 118.6090 59.2448 39.9344 174.6145 71 A 5.0650 8.2845 127.4533 50.1311 21.6388 175.1532 72 F 4.7972 9.2648 120.0503 55.6664 42.4207 174.5368 73 Q 5.0707 8.7259 122.7605 55.4413 30.2985 174.4241 74 I 4.7636 8.4008 117.8837 59.7076 42.0989 173.8487 75 Q 4.5071 8.8911 121.0901 54.7355 29.7516 177.7525 76 S 4.2979 8.5545 115.4548 60.4670 63.2296 175.8371 77 E 4.2024 8.1108 118.2512 58.2101 30.0141 177.5048 78 E 4.5002 8.1552 118.4837 56.0702 29.6518 177.6575 79 V 3.6649 7.3729 119.1847 66.4528 31.6499 177.6541 80 D 4.3554 8.1342 117.9189 57.4867 40.5939 177.9619 81 E 3.7852 8.1948 119.0738 59.9431 29.6096 178.5221 82 Y 4.0082 8.3663 116.6078 60.8629 37.9001 178.9158 83 T 3.8476 8.0526 117.2405 66.7289 68.6724 176.4705 84 E 3.9403 8.1837 120.3279 59.4898 29.2671 179.4794 85 R 3.8269 7.9482 117.3229 59.4312 30.3652 178.9221 86 I 3.6230 7.6764 119.2901 64.2665 37.1194 178.6331 87 K 3.9468 8.1286 118.9199 59.3004 31.5622 179.1239 88 A 4.0949 7.6358 120.1763 54.4939 18.1529 178.8413 89 L 4.3279 8.1362 116.6330 54.8679 41.7361 178.5856 90 G 4.1169 7.7109 106.1214 45.7324 0.0000 174.5148 91 V 3.8582 7.1482 112.3506 60.7073 32.2940 175.7303 92 E 4.1139 8.8569 122.9755 57.0155 30.3651 175.3858 93 M 5.1404 8.6369 128.3571 53.3340 33.7087 175.1610 94 K 4.1244 8.3906 126.5966 56.0183 32.8634 175.6447 95 P 4.1124 0.0000 0.0000 63.5307 30.9676 176.1204 *103 E 4.2754 8.1055 120.6018 53.9769 32.2972 173.1066 104 G 4.5540 7.1782 104.8858 46.4177 0.0000 172.0648 105 R 4.6319 8.2714 118.6415 56.1281 31.7570 175.9697 106 S 5.2459 8.4464 115.3134 57.4899 67.8987 173.7304 107 I 4.7522 8.7312 121.0928 60.2172 40.4851 174.1600 108 Y 5.1024 8.8495 125.1713 56.5800 40.2773 174.7870 109 F 5.2609 8.4157 116.1422 56.5729 41.6028 172.7460 110 Y 5.6948 9.3692 118.4716 56.1855 40.0738 175.4324 111 D 4.2454 8.4607 120.5184 53.0264 40.3262 177.1846 112 F 4.9771 7.6078 119.1904 57.8740 39.6572 175.8497 113 D 4.7558 7.8165 116.7286 53.8897 42.9138 175.2478 114 N 4.3680 8.2690 114.2652 54.8765 35.9510 173.5859 115 H 4.8686 8.7484 114.7388 54.3257 31.3330 174.4986 116 L 4.1482 8.1173 124.5233 53.6393 43.5912 175.2697 117 F 4.7766 8.5492 124.6421 55.8312 42.7880 173.8599 118 E 5.5445 8.4729 119.2292 55.4756 33.5340 173.5407 119 L 5.1975 8.6037 125.0297 53.2337 44.8936 174.5621 120 H 5.3589 9.8482 124.5846 54.2400 32.8826 172.2181 121 A 5.1342 8.4809 127.9236 51.1506 20.6030 177.4007 122 G 4.0335 9.0705 108.4185 45.8853 0.0000 172.8537 123 T 4.5929 7.9522 110.3969 59.1295 71.8516 175.1922 124 L 3.9242 8.4469 121.9546 58.4345 42.3977 178.3532 125 E 3.8777 8.6809 120.3494 60.3768 28.8543 179.4065 126 Q 4.1807 7.8541 115.6648 56.7286 28.9350 179.9436 127 R 3.8976 8.5487 120.5560 58.9692 30.4343 177.2625 128 L 4.2055 7.1994 119.7008 56.7893 42.4417 177.5801 129 K 4.1729 7.9077 127.1348 55.1717 31.5120 179.0130 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 8.30 4.34 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 I 8.30 3.47 1.85 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 1.39 0.24 0.91 0.00 0.00 3 S 8.99 4.28 0.00 3.86 3.92 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 4 G 7.26 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.97 4.07 0.00 1.54 1.55 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.51 4.42 0.00 3.84 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 7 H 6.49 4.69 0.00 2.22 2.10 0.00 5.13 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.47 4.41 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.81 0.00 0.00 9 T 8.47 5.06 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 1.23 0.00 0.00 10 L 9.02 4.86 0.00 1.59 1.47 1.07 0.38 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 11 I 8.42 5.06 1.94 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 1.39 0.86 1.03 0.00 0.00 12 V 8.86 4.78 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 0.95 0.00 0.00 1.09 0.00 0.00 13 K 9.70 4.09 0.00 1.69 1.88 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.40 7.81 14 D 7.85 4.80 0.00 2.71 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 15 L 8.98 4.06 0.00 2.07 1.73 1.08 0.52 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 16 N 8.24 4.47 0.00 2.93 2.90 0.00 0.00 7.10 6.91 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 17 K 9.63 4.01 0.00 1.89 1.66 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.34 1.83 7.81 18 T 8.11 4.19 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 1.33 0.00 0.00 19 T 8.14 3.81 4.61 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 1.55 0.00 0.00 20 A 8.01 4.36 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 21 F 8.20 4.14 0.00 3.35 3.39 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 22 L 8.43 3.97 0.00 1.43 1.35 0.17 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.40 4.05 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 24 N 8.53 4.33 0.00 2.62 2.81 0.00 0.00 6.98 7.33 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 25 I 7.00 4.00 0.75 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.13 -0.12 0.00 0.00 26 F 7.48 4.34 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.34 4.74 0.00 2.88 2.91 0.00 0.00 7.23 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 28 A 7.86 4.29 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 29 E 8.99 4.65 0.00 2.14 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 2.26 2.27 0.00 30 E 9.08 4.15 0.00 1.86 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 2.08 1.77 0.00 31 I 8.66 4.66 1.88 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 1.35 0.95 0.98 0.00 0.00 32 Y 7.52 4.61 0.00 2.93 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 33 S 6.91 4.79 0.00 3.79 3.36 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 34 S 8.51 4.13 0.00 3.86 3.57 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 35 G 9.23 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 0.00 0.00 0.00 36 D 8.10 4.78 0.00 2.89 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 37 K 8.86 3.97 0.00 2.00 2.09 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.50 7.81 38 T 8.23 3.88 4.59 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 1.29 0.00 0.00 39 F 8.13 4.62 0.00 3.08 3.16 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 0.00 0.00 0.00 0.00 40 S 8.22 3.65 0.00 3.89 3.67 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 41 L 8.26 4.63 0.00 1.92 1.60 1.17 0.71 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 42 S 9.02 4.38 0.00 3.94 4.07 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 43 K 8.69 4.61 0.00 1.79 1.79 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.79 1.47 7.81 44 E 8.94 5.37 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 45 K 9.36 5.03 0.00 1.92 1.39 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.48 7.81 46 F 8.97 5.87 0.00 2.98 2.96 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 0.00 0.00 0.00 47 F 10.11 5.51 0.00 3.02 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 48 L 8.91 5.35 0.00 1.68 1.63 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.56 4.48 1.92 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 1.14 1.08 0.66 0.00 0.00 50 A 9.68 3.84 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 51 G 8.55 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 52 L 7.71 4.53 0.00 1.83 1.90 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.90 4.99 0.00 3.42 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 0.00 0.00 54 I 9.52 4.85 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.99 0.00 0.00 55 C 8.93 5.46 0.00 2.58 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 56 I 9.20 5.07 2.27 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 1.43 1.02 1.11 0.00 0.00 57 M 9.34 5.30 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 58 E 8.63 4.81 0.00 2.12 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 2.33 2.46 0.00 59 G 8.87 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 60 D 8.99 4.81 0.00 2.70 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 61 S 8.27 4.48 0.00 3.87 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 62 L 8.15 4.01 0.00 1.83 1.74 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.72 3.86 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 64 E 7.46 4.71 0.00 1.90 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 0.00 2.23 2.41 0.00 65 R 8.47 4.43 0.00 1.76 1.93 0.00 2.81 0.00 0.00 2.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 66 T 8.37 4.77 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 67 Y 8.45 4.64 0.00 2.88 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 68 N 7.68 4.44 0.00 2.68 2.64 0.00 0.00 6.69 7.98 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 69 H 7.74 4.84 0.00 2.85 2.88 0.00 5.08 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.79 4.37 1.52 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.91 0.58 0.00 0.00 71 A 8.28 5.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 9.26 4.80 0.00 3.09 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 73 Q 8.73 5.07 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 74 I 8.40 4.76 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.59 0.00 0.00 75 Q 8.89 4.51 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 76 S 8.55 4.30 0.00 4.01 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 0.00 77 E 8.11 4.20 0.00 2.11 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 0.00 2.29 2.35 0.00 78 E 8.16 4.50 0.00 2.29 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 2.30 2.48 0.00 79 V 7.37 3.66 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 1.16 0.00 0.00 0.97 0.00 0.00 80 D 8.13 4.36 0.00 2.72 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 81 E 8.19 3.79 0.00 1.90 1.93 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 1.79 2.13 0.00 82 Y 8.37 4.01 0.00 3.18 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 83 T 8.05 3.85 4.40 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 1.23 0.00 0.00 84 E 8.18 3.94 0.00 2.16 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 2.31 2.46 0.00 85 R 7.95 3.83 0.00 1.73 1.84 0.00 2.75 0.00 0.00 2.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 86 I 7.68 3.62 1.85 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.57 0.44 0.00 0.00 87 K 8.13 3.95 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 88 A 7.64 4.09 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 89 L 8.14 4.33 0.00 1.91 1.91 1.16 0.97 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 90 G 7.71 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 0.00 0.00 0.00 0.00 91 V 7.15 3.86 2.41 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 0.65 0.00 0.00 1.07 0.00 0.00 92 E 8.86 4.11 0.00 2.17 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 2.36 2.48 0.00 93 M 8.64 5.14 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 94 K 8.39 4.12 0.00 1.87 1.88 0.00 2.01 0.00 0.00 2.03 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.73 1.83 7.81 95 P 0.00 4.11 0.00 2.08 2.05 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 *103 E 8.11 4.28 0.00 2.01 1.77 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 2.13 1.89 0.00 104 G 7.18 4.55 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 0.00 0.00 0.00 105 R 8.27 4.63 0.00 1.82 1.91 0.00 3.12 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 106 S 8.45 5.25 0.00 3.93 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 0.00 107 I 8.73 4.75 2.01 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 1.32 0.79 1.07 0.00 0.00 108 Y 8.85 5.10 0.00 2.97 2.81 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 0.00 109 F 8.42 5.26 0.00 3.25 3.19 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 0.00 110 Y 9.37 5.69 0.00 2.89 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.46 4.25 0.00 1.74 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 0.00 0.00 0.00 112 F 7.61 4.98 0.00 3.06 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 0.00 113 D 7.82 4.76 0.00 2.71 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 0.00 114 N 8.27 4.37 0.00 2.97 2.95 0.00 0.00 7.01 8.16 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 0.00 115 H 8.75 4.87 0.00 3.60 2.91 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.12 4.15 0.00 1.42 1.50 0.30 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.55 4.78 0.00 1.97 2.41 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 0.00 118 E 8.47 5.54 0.00 1.16 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 1.87 1.47 0.00 119 L 8.60 5.20 0.00 1.62 1.43 0.46 1.02 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 0.00 120 H 9.85 5.36 0.00 3.35 3.12 0.00 5.76 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 0.00 121 A 8.48 5.13 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 0.00 122 G 9.07 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 0.00 123 T 7.95 4.59 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 1.22 0.00 0.00 124 L 8.45 3.92 0.00 1.74 1.70 0.91 0.87 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 0.00 125 E 8.68 3.88 0.00 2.12 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 2.42 2.40 0.00 126 Q 7.85 4.18 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 127 R 8.55 3.90 0.00 1.88 2.13 0.00 3.29 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 128 L 7.20 4.21 0.00 1.70 1.56 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.91 4.17 0.00 1.75 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.