NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.2978 0.0000 0.0000 61.8598 34.1918 175.0383 12 L 4.6355 7.5897 122.7059 53.0069 44.7260 173.3846 13 M 5.0963 9.1810 126.3397 53.4157 36.5647 174.4467 14 V 4.7510 8.1841 120.9988 61.1658 34.5874 174.1058 15 K 4.8038 9.3355 128.0799 54.5015 35.0162 175.4789 16 V 4.7308 7.9340 124.5712 61.0972 34.4315 173.9809 17 L 5.0256 9.2571 128.3093 53.1386 44.3545 175.0787 18 D 5.1729 8.6058 123.0029 52.9871 42.0600 176.4331 19 A 4.3829 9.3663 128.5557 53.1982 18.7141 178.3469 20 V 3.9000 8.5179 114.8110 64.8134 32.0591 176.8554 21 R 4.3839 8.6659 115.8787 55.1694 31.1602 175.9517 22 G 3.9366 8.0517 106.1355 45.9126 0.0000 172.4465 23 S 4.8217 7.3772 111.7453 55.7745 67.3667 172.5077 24 P 4.6433 0.0000 0.0000 62.7841 31.8252 176.7502 25 A 4.1725 8.6068 125.2792 51.9557 17.4153 176.7854 26 I 3.9055 8.2786 121.3937 61.8852 38.3678 175.9242 27 N 4.1525 8.3390 122.4094 54.3696 36.6685 174.5284 28 V 4.2934 7.6118 117.1198 61.7094 34.1990 175.2226 29 A 4.7034 8.3916 128.3262 51.2645 20.4578 176.2301 30 V 4.6922 9.3922 122.4324 61.3330 34.7658 173.8837 31 H 5.0839 9.1285 125.0930 53.9246 31.7286 172.8902 32 V 4.8962 8.3370 123.4138 61.1560 33.8327 174.4227 33 F 5.5660 9.6143 126.1211 55.7510 42.9807 174.0052 34 R 4.6954 9.1894 121.5807 54.2193 32.7133 175.0144 35 K 4.0573 8.5908 127.4096 56.0295 32.9130 175.9986 36 A 4.5957 8.0912 128.5616 49.9040 21.2450 177.6931 37 A 3.8720 8.4615 122.4993 54.0865 18.4650 178.1891 38 D 4.7583 7.7600 114.0760 52.3807 39.6817 175.7792 39 D 4.0392 8.4734 118.1123 56.2970 38.9764 173.2739 40 T 4.2546 7.2829 107.0416 59.6782 72.7007 172.9380 41 W 5.3087 8.4073 121.4802 55.4571 29.8242 175.5953 42 E 4.6777 9.0398 125.7888 54.3844 30.4934 174.6355 43 P 4.4034 0.0000 0.0000 63.7833 31.8107 174.7353 44 F 4.7384 9.2981 122.9521 59.2281 41.3398 174.6593 45 A 4.7940 7.9952 118.9581 50.1121 22.7377 173.9761 46 S 4.9256 8.3924 115.9538 56.5149 64.7210 173.4248 47 G 4.1154 8.3807 110.9872 45.4977 0.0000 172.3971 48 K 4.8342 8.5857 122.5344 54.6153 34.2409 176.6095 49 T 4.2525 9.1156 116.5549 62.6116 69.9923 174.1659 50 S 4.9464 9.2575 124.3785 57.7562 66.2827 174.1649 51 E 4.9223 8.8493 121.9709 53.6537 30.1997 174.2395 52 S 4.5613 8.1663 121.8098 57.2339 65.7090 176.4031 53 S 3.8562 8.6516 125.5856 57.9521 60.2294 168.4951 54 D 4.7197 8.7477 123.1252 55.8255 39.2549 174.0359 55 S 4.4577 7.9343 120.4811 59.7056 60.4083 177.6808 *56 H 4.8233 8.5317 125.8210 54.2472 29.0660 172.2883 57 G 4.2889 8.0155 111.1412 47.0312 0.0000 172.5843 58 L 5.0778 8.9340 126.7241 54.0391 44.6574 174.0721 59 T 4.5667 8.7277 121.2250 60.2023 68.5546 171.2583 60 T 4.3553 8.0605 124.6258 60.5239 68.8652 173.5637 61 E 4.1969 9.0608 125.5910 57.5856 30.5938 174.4432 62 E 4.1667 8.1908 115.8629 56.6168 30.2648 179.2107 63 E 4.5461 8.5998 116.3902 55.4305 30.7391 176.9426 64 F 4.8559 8.9970 122.9320 55.8443 39.8430 175.9876 65 V 4.4288 7.8276 119.3981 59.0008 33.6340 175.4636 66 E 4.4643 8.2447 121.6991 54.8653 29.9796 176.9646 67 G 3.7998 7.8180 112.5390 45.4717 0.0000 169.9966 68 I 4.6300 7.1086 119.6585 59.8116 39.1656 174.8945 69 Y 5.0852 8.6670 124.4497 55.8748 41.4044 174.5830 70 K 4.7447 9.1051 124.1234 54.6534 34.8487 174.7503 71 V 4.6882 9.1289 128.6741 61.4948 33.4328 174.0775 72 E 5.0338 9.4194 128.5165 54.7467 32.0328 174.9635 73 I 4.5376 8.8004 126.4097 59.8942 39.1295 175.3420 74 D 5.1373 8.6228 127.7996 53.7360 38.9487 176.4462 75 T 3.7269 7.9828 115.9536 63.6141 69.3372 176.6871 76 K 4.1077 8.1184 122.3375 59.5194 32.3653 178.4775 77 S 4.1159 8.4134 115.4350 61.9247 62.3498 175.7877 78 Y 3.7796 7.3813 121.5829 60.9296 38.3115 178.6572 79 W 4.7525 8.1615 119.2490 59.5131 29.1874 178.8942 80 K 4.2053 8.5303 118.5844 59.2779 31.2447 179.0170 81 A 4.0715 7.8693 120.9186 54.1095 18.4687 177.9156 82 L 4.4349 7.2108 115.0483 54.3142 41.7552 177.1566 83 G 3.9348 8.0854 105.9635 46.0938 0.0000 173.5691 84 I 4.3573 8.0603 120.4222 59.1210 38.8172 175.4950 85 S 4.4338 8.6637 120.4973 56.6011 61.8870 171.8384 86 P 4.4997 0.0000 0.0000 61.2965 32.8945 176.3008 87 F 3.7850 7.8310 120.4082 61.3267 39.2121 175.3319 88 H 4.5185 7.8186 116.0256 54.9897 29.5159 175.5598 89 E 4.0585 8.6295 122.5506 59.6786 29.6701 176.0412 90 H 4.7139 7.3741 110.4321 55.8685 31.5633 172.7136 91 A 4.4434 8.3992 119.5748 50.2528 21.5602 175.3599 92 E 5.1703 8.9903 120.1755 54.4331 33.0185 175.4314 93 V 4.4956 8.8508 121.5685 61.1726 34.3004 174.2210 94 V 5.1525 8.4477 127.5122 61.2511 33.7913 174.3405 95 F 5.0146 8.8128 120.7997 56.1782 41.6405 173.0880 96 T 4.6945 8.6886 117.3333 63.0874 69.0047 174.0788 97 A 4.8525 8.8026 128.5792 50.6337 22.2672 176.0320 98 N 4.8975 9.5575 114.8645 53.9858 36.6331 176.1758 99 D 4.6213 8.4831 117.7809 56.0004 41.7513 176.4836 100 S 4.6275 8.2226 113.2311 58.6295 64.1454 173.1634 101 G 3.7950 8.5934 106.7027 43.4785 0.0000 171.2572 102 P 4.8430 0.0000 0.0000 62.6658 31.1588 176.1899 103 R 4.7308 8.4342 121.3142 54.2697 33.7160 175.4504 104 R 4.4401 8.3204 120.0268 54.7742 32.5276 174.8301 105 Y 4.8156 8.8996 122.5415 56.5655 40.4197 174.7977 106 T 4.8481 8.6746 121.2143 61.9114 71.2782 173.4926 107 I 4.6489 9.3322 129.9229 60.1240 38.7712 174.8873 108 A 5.0339 9.0106 130.3339 50.1910 21.0272 175.0671 109 A 5.2271 9.2294 125.2751 50.0719 21.9390 174.7542 110 L 5.0381 8.7366 124.7384 53.1898 44.7546 175.0171 111 L 5.4059 9.2921 126.1671 53.2557 45.1036 175.8095 112 S 4.9778 9.0640 118.3379 55.9400 67.2781 173.4103 113 P 3.3443 0.0000 0.0000 65.3545 31.0731 177.9105 114 Y 4.4007 7.8253 112.1638 57.1986 38.4954 175.0249 115 S 4.7340 8.0762 113.3960 57.5606 65.7117 172.4752 116 Y 5.5683 7.7596 122.4153 56.1841 40.5569 173.6275 117 S 5.0498 9.1982 115.1507 56.8661 66.9001 172.7841 118 T 5.3204 8.6013 110.5346 60.4664 71.4951 173.1249 119 T 4.7905 8.8174 119.6538 61.7766 73.1902 172.4378 120 A 4.9429 8.5597 126.1529 50.3987 21.0620 176.4141 121 V 3.9916 8.8863 124.2685 61.7238 32.8491 175.0923 122 V 4.7114 8.3976 129.3453 61.5296 32.7425 174.5978 123 T 4.7301 8.4530 118.7495 59.6943 72.0866 173.0466 124 N 4.8831 8.4341 120.7164 50.6862 38.5209 173.2625 125 P 4.3650 0.0000 0.0000 62.7495 31.4111 176.2970 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 11 P 0.00 4.30 0.00 1.77 2.29 0.00 3.57 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 1.99 0.00 12 L 7.59 4.64 0.00 1.17 1.39 1.09 0.62 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 13 M 9.18 5.10 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 14 V 8.18 4.75 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 1.01 0.00 0.00 0.91 0.00 0.00 15 K 9.34 4.80 0.00 1.63 1.63 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.31 7.81 16 V 7.93 4.73 1.88 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 0.80 0.00 0.00 0.81 0.00 0.00 17 L 9.26 5.03 0.00 1.59 1.55 0.93 0.97 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 18 D 8.61 5.17 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.37 4.38 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 20 V 8.52 3.90 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 0.97 0.00 0.00 0.96 0.00 0.00 21 R 8.67 4.38 0.00 2.05 2.03 0.00 3.41 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 22 G 8.05 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 23 S 7.38 4.82 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 24 P 0.00 4.64 0.00 2.07 2.08 0.00 3.77 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 1.99 1.97 0.00 25 A 8.61 4.17 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.28 3.91 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.91 0.00 0.00 27 N 8.34 4.15 0.00 2.83 2.85 0.00 0.00 6.87 8.43 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 28 V 7.61 4.29 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 0.84 0.00 0.00 0.74 0.00 0.00 29 A 8.39 4.70 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 30 V 9.39 4.69 2.01 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 0.94 0.00 0.00 0.86 0.00 0.00 31 H 9.13 5.08 0.00 3.17 2.83 0.00 5.82 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.34 4.90 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 1.22 0.00 0.00 1.01 0.00 0.00 33 F 9.61 5.57 0.00 2.90 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 34 R 9.19 4.70 0.00 1.94 1.82 0.00 3.37 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 35 K 8.59 4.06 0.00 1.45 1.26 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.55 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.61 0.21 7.81 36 A 8.09 4.60 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 37 A 8.46 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.76 4.76 0.00 2.70 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 39 D 8.47 4.04 0.00 2.63 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 40 T 7.28 4.25 4.17 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 1.18 0.00 0.00 41 W 8.41 5.31 0.00 2.93 2.90 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 42 E 9.04 4.68 0.00 2.06 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 2.34 2.33 0.00 43 P 0.00 4.40 0.00 1.95 1.93 0.00 3.76 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 44 F 9.30 4.74 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 45 A 8.00 4.79 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.93 0.00 3.84 3.70 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 47 G 8.38 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 48 K 8.59 4.83 0.00 1.62 1.71 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.39 7.81 49 T 9.12 4.25 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 1.19 0.00 0.00 50 S 9.26 4.95 0.00 3.31 3.61 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 51 E 8.85 4.92 0.00 1.69 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 2.11 1.68 0.00 52 S 8.17 4.56 0.00 3.58 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.65 3.86 0.00 3.79 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 54 D 8.75 4.72 0.00 2.69 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 55 S 7.93 4.46 0.00 3.65 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 *56 H 8.53 4.82 0.00 2.59 3.04 0.00 7.09 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 57 G 8.02 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.93 5.08 0.00 1.29 1.50 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.73 4.57 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 60 T 8.06 4.36 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 61 E 9.06 4.20 0.00 1.98 1.88 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 2.20 1.86 0.00 62 E 8.19 4.17 0.00 1.98 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 2.23 1.89 0.00 63 E 8.60 4.55 0.00 1.98 1.76 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 2.21 1.89 0.00 64 F 9.00 4.86 0.00 2.94 3.12 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 65 V 7.83 4.43 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 0.75 0.00 0.00 1.06 0.00 0.00 66 E 8.24 4.46 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 67 G 7.82 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 0.00 0.00 0.00 68 I 7.11 4.63 1.69 0.00 0.00 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 1.28 0.63 1.08 0.00 0.00 69 Y 8.67 5.09 0.00 1.90 2.55 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 70 K 9.11 4.74 0.00 0.79 0.74 0.00 1.09 0.00 0.00 0.73 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.00 7.81 71 V 9.13 4.69 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 0.97 0.00 0.00 1.13 0.00 0.00 72 E 9.42 5.03 0.00 2.01 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 2.05 2.17 0.00 73 I 8.80 4.54 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.65 0.78 0.00 0.00 74 D 8.62 5.14 0.00 2.81 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 75 T 7.98 3.73 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 1.07 0.00 0.00 76 K 8.12 4.11 0.00 2.09 1.90 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.59 7.81 77 S 8.41 4.12 0.00 3.97 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 78 Y 7.38 3.78 0.00 2.88 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 79 W 8.16 4.75 0.00 3.54 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 80 K 8.53 4.21 0.00 1.83 1.89 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.66 1.64 7.81 81 A 7.87 4.07 1.21 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 0.00 0.00 82 L 7.21 4.43 0.00 1.94 1.77 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.09 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 84 I 8.06 4.36 2.25 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 1.23 0.77 0.89 0.00 0.00 85 S 8.66 4.43 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.50 0.00 2.24 2.06 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 87 F 7.83 3.78 0.00 1.62 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 88 H 7.82 4.52 0.00 3.27 3.47 0.00 5.95 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 89 E 8.63 4.06 0.00 1.76 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 2.18 2.16 0.00 90 H 7.37 4.71 0.00 3.24 3.27 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.40 4.44 0.35 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 92 E 8.99 5.17 0.00 1.85 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 2.39 0.00 93 V 8.85 4.50 2.14 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 0.80 0.00 0.00 0.93 0.00 0.00 94 V 8.45 5.15 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 1.07 0.00 0.00 0.88 0.00 0.00 95 F 8.81 5.01 0.00 3.21 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 96 T 8.69 4.69 4.31 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 1.29 0.00 0.00 97 A 8.80 4.85 1.12 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 98 N 9.56 4.90 0.00 3.10 3.06 0.00 0.00 6.55 7.67 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 99 D 8.48 4.62 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.22 4.63 0.00 3.90 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 0.00 101 G 8.59 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 0.00 0.00 0.00 102 P 0.00 4.84 0.00 2.07 2.11 0.00 3.71 0.00 0.00 4.08 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 R 8.43 4.73 0.00 1.08 1.38 0.00 3.22 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 104 R 8.32 4.44 0.00 1.53 1.67 0.00 3.17 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 105 Y 8.90 4.82 0.00 2.89 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 0.00 106 T 8.67 4.85 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 1.18 0.00 0.00 107 I 9.33 4.65 1.80 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.85 0.00 0.00 108 A 9.01 5.03 1.21 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 0.00 0.00 109 A 9.23 5.23 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 0.00 110 L 8.74 5.04 0.00 1.81 1.57 0.97 0.44 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 0.00 111 L 9.29 5.41 0.00 1.84 2.06 0.57 0.64 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 0.00 112 S 9.06 4.98 0.00 3.76 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 0.00 113 P 0.00 3.34 0.00 2.15 1.74 0.00 3.23 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.66 0.00 114 Y 7.83 4.40 0.00 2.79 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 0.00 115 S 8.08 4.73 0.00 3.86 3.69 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 0.00 116 Y 7.76 5.57 0.00 3.08 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 0.00 117 S 9.20 5.05 0.00 3.91 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 0.00 118 T 8.60 5.32 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 119 T 8.82 4.79 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 0.00 120 A 8.56 4.94 1.16 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 0.00 0.00 121 V 8.89 3.99 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 0.87 0.00 0.00 0.91 0.00 0.00 122 V 8.40 4.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.05 0.00 0.00 123 T 8.45 4.73 4.18 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 0.00 0.00 1.15 0.00 0.00 124 N 8.43 4.88 0.00 2.72 2.85 0.00 0.00 6.09 7.75 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 0.00 125 P 0.00 4.37 0.00 2.04 1.98 0.00 3.71 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 2.07 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.