NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1933 8.3293 119.1163 54.6814 29.5510 178.0895 *4 N 4.5003 8.8276 115.0254 53.0628 38.2592 173.3886 5 N 4.3750 8.6099 119.1499 53.9529 37.9139 173.9723 6 H 4.9203 8.5108 117.0812 55.9906 29.6277 174.6021 7 I 4.7709 7.9915 119.9531 60.0082 38.3986 175.6625 8 R 4.5925 8.9938 128.3992 54.4609 32.3405 174.4841 9 L 5.1558 8.4564 125.5667 53.1040 43.8924 175.9436 10 R 4.7212 8.7872 122.1257 53.7466 34.6636 174.6332 11 K 4.2793 8.5567 122.8843 56.1930 32.9424 176.1963 12 A 4.0490 8.5451 130.6864 51.6198 18.5832 177.0641 13 E 4.1233 9.0191 123.1621 57.4327 30.6442 178.5162 14 G 3.8105 8.7256 110.6360 44.4635 0.0000 171.3196 15 K 4.6735 8.4268 120.0313 55.2986 33.6735 176.6593 16 W 5.0794 9.4397 127.6927 54.8822 32.3357 174.9389 17 V 5.1018 9.0896 123.1966 61.1371 34.7255 173.8740 18 I 4.8922 8.5965 127.0111 59.1020 40.7547 174.3478 19 R 4.9619 8.7390 124.5169 55.6255 33.5252 174.0787 20 T 4.4748 8.0512 110.4292 60.0725 71.0414 174.0719 21 D 4.6391 8.5411 120.3622 54.7224 39.6111 176.6911 22 S 4.5675 8.1427 111.0525 58.1167 65.4761 173.4306 23 A 4.5037 7.5487 122.7697 51.2620 21.7243 175.2000 24 V 4.3718 8.1778 120.2968 61.5934 32.5624 175.7229 25 L 4.4511 8.3540 127.1678 55.6996 43.3984 176.6904 26 G 4.2513 7.2230 102.5460 44.6885 0.0000 172.3459 27 E 5.4277 8.8724 122.1468 54.6820 33.0247 175.0462 28 T 4.7491 9.3070 117.8254 60.8467 71.2798 173.9559 29 L 4.8589 8.6985 125.3408 54.9669 42.3164 176.3270 30 N 5.0674 8.1905 116.5445 52.6292 39.7972 174.6366 31 A 4.2665 7.9803 118.8881 52.1150 20.2210 177.3109 32 I 4.6873 8.5694 120.7509 59.4009 40.3981 174.2731 33 E 4.7591 9.3681 128.5709 54.5979 31.3919 174.0878 34 L 5.0877 8.8800 129.3781 53.6638 44.6245 174.8699 35 T 4.7908 8.8830 123.2887 61.7194 71.5276 172.7365 36 E 4.6610 8.9224 127.9019 54.7325 30.8103 175.4581 37 G 3.9822 8.6419 120.2791 46.8409 0.0000 173.1768 38 S 4.6553 8.5606 120.4195 58.1067 63.3681 174.8779 39 R 4.1741 7.3533 119.6596 56.2725 30.3531 176.3265 40 D 4.5250 8.4805 120.1472 53.6723 41.3569 175.0145 41 P 4.6782 0.0000 0.0000 63.1362 32.3733 175.5058 42 V 4.5149 8.8407 121.5223 61.3072 34.2446 174.1995 43 I 4.5294 8.3779 128.4331 60.4184 38.4805 174.4621 44 Y 4.7120 9.0596 125.2857 56.3432 40.2701 174.6239 45 F 4.9894 9.6830 124.1983 54.8314 41.4614 174.0258 46 P 3.1130 0.0000 0.0000 61.9758 31.9738 177.2957 47 R 3.6913 8.2738 121.9024 59.2976 30.1235 178.1575 48 E 4.0139 7.9526 114.0832 58.3432 29.4033 176.8846 49 D 4.6970 8.0433 118.7683 53.9188 41.5312 175.6940 50 V 4.3570 7.2249 119.1646 60.6703 33.4627 175.1980 51 A 4.2179 8.4579 129.5778 51.8110 19.1853 177.8237 *53 V 3.8792 7.9059 117.3722 61.4515 32.7905 175.6293 *55 F 4.7786 7.9153 117.1205 58.7314 40.4986 174.8067 56 D 5.1238 9.1442 122.5146 52.0055 43.6918 175.5051 57 K 3.7817 9.0743 125.3557 56.7625 32.7640 175.9027 58 S 4.7245 8.3015 121.9379 56.5747 64.0706 173.9790 59 E 4.0645 8.7153 122.3411 58.8455 29.3072 178.0536 60 K 4.0538 8.0250 120.7479 56.8270 33.1069 176.4446 61 V 5.3347 8.1919 118.7286 60.0558 36.0487 174.6227 62 T 4.8219 8.8340 111.4081 60.0200 72.5485 172.2598 63 A 5.1463 8.6410 124.7488 50.6365 21.0326 175.5983 64 C 4.7492 9.1917 123.5617 56.9515 33.4356 173.3778 65 P 4.3219 0.0000 0.0000 65.1699 31.4159 177.5825 66 L 4.2207 7.8563 117.0785 56.4480 42.4264 177.6838 67 K 3.9807 7.6415 116.9082 57.3337 33.8833 174.3567 68 G 3.9422 7.5408 104.3120 44.0630 0.0000 171.6592 69 E 5.0191 8.9546 123.5506 55.1462 31.1380 176.5344 70 A 3.9251 9.2053 129.9271 50.9754 20.2263 176.2716 71 S 4.8042 8.8223 119.7576 58.0406 64.8097 173.2775 72 Y 5.1961 8.1280 120.3123 56.6835 41.2757 174.3591 73 Y 5.2650 9.3276 118.3899 56.6801 42.7581 174.5600 74 S 5.2239 9.3517 119.3143 57.3498 65.5538 173.0657 75 I 4.2665 8.3812 124.2293 59.4451 39.3030 174.7809 76 V 4.4294 8.2312 126.6717 61.7324 33.5518 175.1579 77 G 4.0359 8.5675 113.8487 44.4676 0.0000 172.6920 78 A 3.9815 8.7153 121.0824 55.3731 18.2224 179.2215 79 S 4.3187 8.0889 109.3400 59.0476 63.9720 173.5016 80 G 3.7241 6.9388 106.1858 44.3565 0.0000 172.1656 81 T 4.6368 8.2337 117.2858 63.1272 69.8174 175.1505 82 L 4.4582 9.1397 127.1173 52.9391 42.4639 175.4891 83 K 4.2222 8.5607 125.9480 56.8084 32.9468 176.1995 84 D 4.6654 8.6710 127.2481 55.5406 39.2114 174.3474 85 A 4.6268 8.1361 119.1787 53.2498 20.0264 177.7690 86 A 4.8860 8.4845 116.8657 49.7987 23.2863 174.9413 87 W 5.5048 7.7196 115.3541 55.3862 32.6324 173.7601 88 S 5.0373 8.8841 113.9223 57.7147 66.0360 172.8831 89 Y 4.7350 8.8696 124.9047 57.1975 37.3257 175.8278 90 E 4.2295 8.8446 124.5377 58.2549 30.5373 177.8978 91 S 4.6959 7.6751 113.2348 56.0516 63.3992 171.5986 92 P 4.7316 0.0000 0.0000 61.9521 32.7710 177.0276 93 K 4.2308 8.9309 122.0309 55.9592 33.5763 176.0488 94 E 4.5238 7.9506 122.6557 57.6270 29.3987 176.9337 95 G 3.9847 9.4508 115.5463 45.1973 0.0000 174.0529 96 L 4.5688 7.5288 118.5005 54.4863 42.0991 178.3106 97 E 3.9858 8.0339 120.6305 58.7421 29.6410 179.0181 98 A 3.8553 7.9132 121.2824 54.3852 18.7053 177.9511 99 I 3.1835 7.1961 107.2891 59.9793 37.7436 175.0588 100 A 4.3928 7.4347 125.0036 54.2746 18.1318 178.9921 101 G 4.1093 9.0508 112.0855 45.4828 0.0000 173.2841 102 Y 4.5056 8.2681 117.7808 58.0543 39.4451 174.5864 103 L 4.8116 9.0450 121.8355 53.0640 44.4116 175.6035 104 A 4.6928 7.4891 123.5245 49.7686 22.6253 174.8307 105 F 4.8693 7.6642 115.8402 55.1486 42.9359 174.9339 106 A 4.5846 9.2587 125.8134 51.4790 18.2634 177.0377 107 P 4.6153 0.0000 0.0000 65.2848 31.7921 178.2861 108 D 4.1896 8.2149 118.1722 55.9078 39.3669 176.8636 109 C 4.8011 7.7757 110.9487 57.9433 31.3822 173.1333 110 T 4.8785 7.6970 108.2311 60.0974 72.0138 172.9268 111 K 4.6855 9.1147 123.3821 54.6112 35.2003 174.8993 112 V 5.0134 8.3505 126.0499 60.9969 34.5589 174.4790 113 G 3.9281 8.4334 112.9670 45.8395 0.0000 171.8981 114 Q 3.4216 7.3946 121.7088 54.9438 29.9235 175.2004 115 Y 3.9780 8.5784 125.9171 57.8458 38.7959 175.0133 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 Q 8.33 4.19 0.00 2.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.45 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 *4 N 8.83 4.50 0.00 2.85 2.96 0.00 0.00 5.68 6.96 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 5 N 8.61 4.38 0.00 2.78 2.83 0.00 0.00 6.19 7.90 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 6 H 8.51 4.92 0.00 3.14 3.34 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.99 4.77 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.84 0.00 0.00 8 R 8.99 4.59 0.00 1.84 1.75 0.00 3.03 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 9 L 8.46 5.16 0.00 1.46 1.45 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.79 4.72 0.00 1.65 1.73 0.00 3.12 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 1.50 1.51 0.00 11 K 8.56 4.28 0.00 1.75 1.71 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 12 A 8.55 4.05 0.41 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 13 E 9.02 4.12 0.00 2.12 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 2.37 2.31 0.00 14 G 8.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.43 4.67 0.00 1.86 1.71 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.37 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.38 1.46 7.81 16 W 9.44 5.08 0.00 3.21 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 17 V 9.09 5.10 2.19 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 0.97 0.00 0.00 1.05 0.00 0.00 18 I 8.60 4.89 0.64 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.34 -0.14 0.00 0.00 19 R 8.74 4.96 0.00 2.00 1.90 0.00 2.77 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 20 T 8.05 4.47 4.20 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 1.13 0.00 0.00 21 D 8.54 4.64 0.00 2.80 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 22 S 8.14 4.57 0.00 3.93 3.91 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 23 A 7.55 4.50 1.20 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 0.00 0.00 24 V 8.18 4.37 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 0.82 0.00 0.00 0.92 0.00 0.00 25 L 8.35 4.45 0.00 1.40 1.72 0.77 0.50 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 26 G 7.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.87 5.43 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 28 T 9.31 4.75 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 1.26 0.00 0.00 29 L 8.70 4.86 0.00 1.69 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.19 5.07 0.00 2.64 2.82 0.00 0.00 6.88 7.95 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 31 A 7.98 4.27 0.68 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 0.00 0.00 32 I 8.57 4.69 1.81 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.66 0.77 0.00 0.00 33 E 9.37 4.76 0.00 1.74 1.69 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 2.18 2.09 0.00 34 L 8.88 5.09 0.00 1.75 1.83 0.66 0.56 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 35 T 8.88 4.79 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 1.29 0.00 0.00 36 E 8.92 4.66 0.00 2.04 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 2.29 2.29 0.00 37 G 8.64 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 38 S 8.56 4.66 0.00 3.99 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 39 R 7.35 4.17 0.00 1.98 1.96 0.00 3.20 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 40 D 8.48 4.52 0.00 2.73 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 41 P 0.00 4.68 0.00 2.08 2.08 0.00 3.77 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 2.05 2.01 0.00 42 V 8.84 4.51 2.36 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 1.05 0.00 0.00 1.15 0.00 0.00 43 I 8.38 4.53 1.88 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.16 0.00 0.00 44 Y 9.06 4.71 0.00 3.05 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 45 F 9.68 4.99 0.00 3.16 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 46 P 0.00 3.11 0.00 1.87 1.35 0.00 3.67 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 2.14 1.89 0.00 47 R 8.27 3.69 0.00 1.90 1.84 0.00 3.09 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.35 0.00 48 E 7.95 4.01 0.00 2.06 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 2.17 2.27 0.00 49 D 8.04 4.70 0.00 2.89 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 50 V 7.22 4.36 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 0.40 0.00 0.00 0.94 0.00 0.00 51 A 8.46 4.22 1.32 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 0.00 0.00 *53 V 7.91 3.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 *55 F 7.92 4.78 0.00 2.82 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 56 D 9.14 5.12 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.07 3.78 0.00 1.80 1.67 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 0.65 7.81 58 S 8.30 4.72 0.00 3.92 3.80 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 59 E 8.72 4.06 0.00 1.97 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 2.29 2.22 0.00 60 K 8.02 4.05 0.00 1.69 1.50 0.00 1.21 0.00 0.00 0.75 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.75 1.11 7.81 61 V 8.19 5.33 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 0.83 0.00 0.00 0.94 0.00 0.00 62 T 8.83 4.82 4.28 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 1.13 0.00 0.00 63 A 8.64 5.15 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 64 C 9.19 4.75 0.00 3.03 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 65 P 0.00 4.32 0.00 2.07 2.09 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 66 L 7.86 4.22 0.00 1.55 1.64 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.64 3.98 0.00 0.96 0.82 0.00 0.92 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.13 1.15 7.81 68 G 7.54 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 69 E 8.95 5.02 0.00 2.06 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 2.28 2.50 0.00 70 A 9.21 3.93 0.73 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 0.00 0.00 71 S 8.82 4.80 0.00 3.80 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 72 Y 8.13 5.20 0.00 2.94 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 73 Y 9.33 5.27 0.00 3.07 3.07 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 74 S 9.35 5.22 0.00 3.79 3.78 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 75 I 8.38 4.27 1.67 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 -0.30 0.57 0.53 0.00 0.00 76 V 8.23 4.43 2.06 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 0.76 0.00 0.00 0.92 0.00 0.00 77 G 8.57 4.04 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 0.00 0.00 0.00 78 A 8.72 3.98 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 79 S 8.09 4.32 0.00 3.86 3.91 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 80 G 6.94 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 81 T 8.23 4.64 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 82 L 9.14 4.46 0.00 1.53 1.65 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.56 4.22 0.00 1.76 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.55 7.81 84 D 8.67 4.67 0.00 2.88 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 85 A 8.14 4.63 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 86 A 8.48 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.72 5.50 0.00 2.64 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 0.00 0.00 0.00 0.00 88 S 8.88 5.04 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.87 4.74 0.00 3.02 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 90 E 8.84 4.23 0.00 2.02 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 2.40 2.57 0.00 91 S 7.68 4.70 0.00 3.84 3.78 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 92 P 0.00 4.73 0.00 1.93 1.91 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 93 K 8.93 4.23 0.00 1.80 1.69 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 94 E 7.95 4.52 0.00 1.95 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 2.26 2.14 0.00 95 G 9.45 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 96 L 7.53 4.57 0.00 1.73 1.43 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.03 3.99 0.00 2.02 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 2.37 2.33 0.00 98 A 7.91 3.86 1.11 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 0.00 0.00 99 I 7.20 3.18 1.36 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 1.07 0.60 0.42 0.00 0.00 100 A 7.43 4.39 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 0.00 101 G 9.05 4.11 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 0.00 0.00 0.00 102 Y 8.27 4.51 0.00 3.18 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 0.00 103 L 9.05 4.81 0.00 1.37 0.86 0.52 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.49 4.69 -0.41 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 0.00 105 F 7.66 4.87 0.00 2.72 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 0.00 106 A 9.26 4.58 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 0.00 107 P 0.00 4.62 0.00 2.32 2.43 0.00 3.92 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 108 D 8.21 4.19 0.00 2.85 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 0.00 109 C 7.78 4.80 0.00 2.91 3.01 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 0.00 110 T 7.70 4.88 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 1.25 0.00 0.00 111 K 9.11 4.69 0.00 1.77 1.63 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 112 V 8.35 5.01 2.28 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 1.37 0.00 0.00 1.03 0.00 0.00 113 G 8.43 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.39 3.42 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.04 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 115 Y 8.58 3.98 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.