NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3033 8.5445 120.2252 56.4100 31.5175 177.3907 7 E 4.0670 8.1517 112.2071 56.9063 30.4533 178.6534 8 R 3.9747 8.7923 116.8053 59.5159 30.6590 182.3517 9 S 4.3145 7.9561 112.8215 60.4243 63.0289 174.6247 10 G 3.9020 8.8018 112.0732 45.8946 0.0000 173.6494 11 V 3.7114 7.4781 113.2234 60.4752 32.1671 175.9346 12 V 4.0532 8.1182 124.1036 60.5343 32.1319 173.2232 13 P 4.8223 0.0000 0.0000 61.9188 33.5565 174.5159 14 C 4.4628 8.3130 121.4237 57.2549 33.5207 173.5073 15 G 4.1575 8.5803 113.8838 46.3419 0.0000 172.3416 16 T 4.5944 8.5945 111.7027 58.6003 71.9637 173.2695 17 P 4.0202 0.0000 0.0000 64.2645 31.4631 177.4088 18 W 4.8862 7.3609 113.6160 55.2519 30.1676 176.8796 19 G 4.9920 6.1468 109.8782 46.0428 0.0000 174.3021 20 Q 5.1224 8.7636 124.7248 54.8614 32.1867 171.8135 21 W 5.9481 8.9766 116.1774 55.5455 32.3531 173.3575 22 Y 5.0725 8.8840 118.5344 56.6122 41.3400 172.7730 23 Q 5.4319 8.8427 116.7363 55.3507 32.2092 173.7130 24 T 4.9353 8.9870 109.8631 59.6464 71.7884 174.4032 25 L 4.0618 8.7564 119.9964 57.6780 41.6363 178.1565 26 E 4.5196 7.6101 113.1062 56.5455 31.0272 175.6773 27 E 4.6626 8.2071 116.8475 54.2113 33.4132 174.1677 28 V 4.8384 7.8672 119.7235 61.1731 34.0773 174.5307 29 F 4.6930 9.3816 126.2313 55.5738 41.6152 174.3577 30 I 5.0015 8.4752 123.7370 59.6765 39.9098 174.7203 31 E 4.6933 9.7535 128.1242 54.8423 31.4506 175.2457 32 V 4.9514 8.3410 125.3235 61.0135 33.1546 175.2836 33 Q 4.3651 9.3276 128.5511 56.0563 29.1071 176.2825 34 V 4.5685 8.2058 115.6051 58.4007 35.8273 173.7186 35 P 4.4176 0.0000 0.0000 62.3662 31.6569 176.2375 36 P 4.3379 0.0000 0.0000 65.0752 31.4147 177.5680 37 G 3.9678 7.9334 105.2527 45.5001 0.0000 173.9333 38 T 4.1022 7.7740 117.4985 63.5779 69.1172 173.9971 39 R 4.7320 8.9775 124.1043 53.8414 33.4353 176.8678 40 A 4.3322 8.6861 122.8522 55.5034 18.4898 180.0386 41 Q 4.1695 8.0921 112.2686 58.6714 28.8756 176.7555 42 D 4.5423 8.5219 118.4181 54.9396 41.3466 175.3305 43 I 4.4195 7.5621 121.3052 59.8156 38.5071 175.1090 44 Q 4.4972 8.6892 126.6617 54.1460 31.0743 174.4828 45 C 4.8370 8.4442 124.3577 57.7243 34.6197 172.9220 46 G 4.1288 8.9092 113.9655 44.4334 0.0000 171.8585 47 L 4.9327 8.6952 125.1172 53.2982 43.5241 175.9894 48 Q 4.5708 8.9779 123.8162 53.4949 31.5407 177.1706 49 S 4.3646 8.5608 112.3389 60.5964 62.4832 175.0129 50 R 4.7659 7.7647 118.2920 55.6275 31.7238 173.8810 51 H 5.1823 8.0078 113.9861 54.7933 33.8956 172.6767 52 V 5.0668 8.3260 116.2398 59.8464 36.4843 174.2619 53 A 5.0556 8.6929 124.2996 50.4499 23.1476 175.0405 54 L 4.9540 9.1716 123.5614 53.3134 45.5507 174.8353 55 A 5.1178 8.7842 127.7389 49.9845 22.5121 174.7051 56 V 4.3932 8.6050 121.1514 61.3187 34.5686 176.0291 57 G 4.0726 9.7339 117.5942 46.6932 0.0000 174.5456 58 G 3.8038 8.2807 105.6360 45.1069 0.0000 173.9011 59 R 4.2728 7.8940 121.7892 54.2788 30.6383 174.9612 60 E 4.3542 8.7139 127.1435 56.5476 30.2266 175.3987 61 I 4.3693 8.7155 127.5440 62.4175 38.7753 176.1770 62 L 4.7215 7.0816 120.4321 54.0734 44.0319 175.1115 63 K 4.6080 7.5881 119.1110 55.0297 35.3091 174.6936 64 G 3.9617 7.7229 114.6300 45.9369 0.0000 170.9168 65 K 4.7644 8.2865 121.5765 55.6674 32.6800 176.9438 66 L 4.1592 8.3668 127.6219 54.3114 42.2809 176.9748 67 F 4.1305 8.6731 123.6389 61.3867 39.3139 174.1087 68 D 4.4594 7.5281 116.7723 52.9235 44.0234 173.7328 69 S 4.9028 8.5984 116.6564 58.0548 63.8299 173.5751 70 T 4.6825 8.5651 110.6284 59.9815 73.0312 173.3246 71 I 4.1322 8.2719 122.7651 60.1634 36.5268 176.2961 72 A 3.9554 8.7862 131.3869 55.4294 18.2588 179.1403 73 D 4.5212 7.9648 112.5444 55.9380 41.2453 176.8678 74 E 4.3442 8.0759 117.6020 56.2648 30.1276 176.8573 75 G 3.7600 7.5319 109.1562 45.5812 0.0000 173.3057 76 T 4.7215 8.1932 112.5781 59.2093 71.9478 173.1886 77 W 5.2473 8.1921 119.2384 54.9232 31.1618 174.5848 78 T 4.5597 8.5157 109.8161 59.7984 71.3148 172.7334 79 L 4.6301 8.7070 125.4161 53.8057 43.0222 175.3828 80 E 4.7311 8.6332 125.3351 54.4159 31.9875 175.2970 81 D 4.6746 8.6875 123.5916 54.2663 41.3492 176.7036 82 R 4.6647 8.2419 125.4703 55.1045 31.2950 175.3685 83 K 3.8027 8.1577 118.1265 56.5049 32.7692 175.4909 *85 V 3.7387 7.9646 119.7194 62.5828 31.8710 174.1319 86 R 4.4841 8.5360 127.3727 54.4849 31.3923 174.8359 87 I 4.3527 8.2628 125.8712 59.3605 39.1418 174.9022 88 V 4.2327 8.3553 124.9974 60.9526 32.9729 174.3811 89 L 4.7036 8.2589 126.8367 53.1854 43.8876 175.8522 90 T 4.4317 8.1322 118.7131 61.5373 69.7914 175.0161 91 K 4.2811 8.4029 126.4970 56.5352 32.9224 177.3023 92 T 3.9959 8.8979 120.5173 66.1044 68.6165 174.7337 93 K 4.6045 8.0330 119.9774 54.9341 33.4106 176.4216 94 R 4.6639 8.4920 123.9493 55.9534 31.1887 175.6641 95 D 4.7351 8.4190 117.2919 52.9903 42.0458 177.7937 96 A 3.9817 8.5836 123.8657 55.2582 18.4010 178.8171 97 A 4.2297 8.0088 116.3302 53.7189 18.9576 177.2606 98 N 4.9526 8.3245 114.8905 52.4563 38.6588 175.3962 99 C 4.4475 7.8921 118.4746 58.2564 32.4409 172.6771 100 W 4.4428 8.9510 128.0710 56.9757 29.4528 176.3058 101 T 4.4345 8.4967 111.5569 62.0209 69.2891 173.9501 102 S 5.0607 7.4811 115.7204 56.7840 65.7577 174.3296 103 L 4.3055 8.8819 126.3463 57.7583 41.9568 177.1476 104 L 4.8455 7.6545 117.3129 52.3264 44.3141 176.9354 105 E 3.8815 8.8037 121.7773 59.3386 29.3454 178.6173 106 S 4.7284 7.4715 112.1868 57.5003 64.5102 173.0729 107 E 4.3057 8.2509 117.6616 56.5227 33.2630 173.8696 108 Y 3.9696 7.7106 118.3616 59.1069 35.0292 169.7643 109 A 4.8169 7.9358 119.7345 50.8572 20.1343 178.5453 110 A 4.5336 8.5921 123.7516 51.0500 19.9523 177.4251 111 D 4.5400 8.6448 120.6654 52.5131 40.8484 175.5631 112 P 4.2463 0.0000 0.0000 65.4847 31.1025 179.1416 113 W 4.1255 8.0592 117.3364 59.6434 28.9352 178.5681 114 V 4.1221 8.2117 118.6153 65.6404 31.0384 177.5621 115 Q 4.1455 8.3556 117.0514 59.1784 28.7870 178.2912 116 D 4.4861 8.0972 118.8084 57.2644 41.1558 178.6159 117 Q 4.2306 8.0899 114.7611 57.0205 28.4687 177.9865 *119 Q 4.2342 7.9859 123.2338 56.2641 30.9873 177.3834 120 R 3.9024 8.1890 116.9946 59.1264 29.9016 179.0087 121 K 3.9119 8.0348 119.3088 59.4603 32.2216 178.8019 122 L 3.9790 7.8913 118.7683 58.1799 41.5013 179.5031 123 T 3.8859 8.2172 115.8769 66.5470 68.3094 176.4553 124 L 3.9829 8.1014 122.3113 58.0404 42.0302 178.4904 125 E 3.9146 8.5239 119.6879 59.3886 29.5309 178.8842 126 R 3.8724 8.4801 119.0852 59.3042 29.9506 178.0708 127 F 4.0485 8.4069 119.8072 61.4692 39.5618 176.8408 128 Q 4.1168 8.4945 117.7810 58.9250 28.3390 178.6311 129 K 3.9229 8.0922 119.5832 59.4600 32.3002 178.0923 130 E 4.2151 8.1406 116.9429 57.1208 31.2395 176.3871 131 N 5.0597 7.4637 115.8869 51.0483 38.8313 173.6710 132 P 4.3811 0.0000 0.0000 65.1582 32.1380 178.8650 133 G 3.6158 8.0780 107.3252 47.7640 0.0000 173.8574 134 F 4.2398 8.1046 120.4645 57.3045 39.8239 175.5541 135 D 4.7690 8.7849 125.7040 52.6201 40.3495 176.8905 *136 F 4.5235 8.6383 122.3187 55.7813 38.7231 171.7934 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 6 E 8.54 4.30 0.00 1.99 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 0.00 2.23 2.28 0.00 7 E 8.15 4.07 0.00 2.07 1.85 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 2.21 1.94 0.00 8 R 8.79 3.97 0.00 1.73 1.97 0.00 3.23 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 9 S 7.96 4.31 0.00 3.85 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 10 G 8.80 3.90 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 0.00 11 V 7.48 3.71 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 0.57 0.00 0.00 0.42 0.00 0.00 12 V 8.12 4.05 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 0.76 0.00 0.00 0.91 0.00 0.00 13 P 0.00 4.82 0.00 2.10 1.91 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 14 C 8.31 4.46 0.00 2.12 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 15 G 8.58 4.16 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 0.00 16 T 8.59 4.59 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 0.87 0.00 0.00 17 P 0.00 4.02 0.00 2.01 2.11 0.00 3.11 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 1.96 1.98 0.00 18 W 7.36 4.89 0.00 3.40 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 19 G 6.15 4.99 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 0.00 0.00 0.00 20 Q 8.76 5.12 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 21 W 8.98 5.95 0.00 3.60 3.26 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 22 Y 8.88 5.07 0.00 2.98 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 23 Q 8.84 5.43 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 24 T 8.99 4.94 4.38 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 1.43 0.00 0.00 25 L 8.76 4.06 0.00 1.70 1.81 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.61 4.52 0.00 2.06 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 0.00 2.28 2.29 0.00 27 E 8.21 4.66 0.00 1.85 1.15 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 2.08 2.18 0.00 28 V 7.87 4.84 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 0.90 0.00 0.00 0.94 0.00 0.00 29 F 9.38 4.69 0.00 1.55 2.33 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 30 I 8.48 5.00 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 1.02 0.00 0.00 31 E 9.75 4.69 0.00 2.12 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 2.42 2.46 0.00 32 V 8.34 4.95 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 0.65 0.00 0.00 0.49 0.00 0.00 33 Q 9.33 4.37 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.48 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 34 V 8.21 4.57 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 0.95 0.00 0.00 35 P 0.00 4.42 0.00 2.18 1.99 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 36 P 0.00 4.34 0.00 2.05 2.13 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 37 G 7.93 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 0.00 0.00 0.00 38 T 7.77 4.10 4.26 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 1.20 0.00 0.00 39 R 8.98 4.73 0.00 1.92 1.82 0.00 3.15 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 40 A 8.69 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.09 4.17 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 42 D 8.52 4.54 0.00 2.79 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 43 I 7.56 4.42 1.37 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.49 -0.39 0.00 0.00 44 Q 8.69 4.50 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 45 C 8.44 4.84 0.00 2.18 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 0.00 0.00 0.00 46 G 8.91 4.13 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 0.00 0.00 0.00 47 L 8.70 4.93 0.00 1.53 1.62 1.04 0.93 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 48 Q 8.98 4.57 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 49 S 8.56 4.36 0.00 3.84 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 50 R 7.76 4.77 0.00 1.90 1.77 0.00 3.26 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 51 H 8.01 5.18 0.00 3.23 3.04 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.33 5.07 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 0.65 0.00 0.00 0.79 0.00 0.00 53 A 8.69 5.06 1.15 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 0.00 0.00 0.00 0.00 0.00 54 L 9.17 4.95 0.00 1.41 1.17 0.52 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.78 5.12 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 56 V 8.60 4.39 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 0.97 0.00 0.00 0.80 0.00 0.00 57 G 9.73 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 0.00 0.00 0.00 58 G 8.28 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 59 R 7.89 4.27 0.00 1.80 1.94 0.00 3.10 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 60 E 8.71 4.35 0.00 1.92 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 2.23 2.26 0.00 61 I 8.72 4.37 1.57 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 1.28 0.86 0.57 0.00 0.00 62 L 7.08 4.72 0.00 1.44 1.00 0.73 -0.39 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 63 K 7.59 4.61 0.00 1.67 1.75 0.00 2.01 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.40 7.81 64 G 7.72 3.96 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 0.00 0.00 0.00 65 K 8.29 4.76 0.00 1.81 1.71 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.59 7.81 66 L 8.37 4.16 0.00 1.68 1.63 0.93 0.60 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 67 F 8.67 4.13 0.00 2.83 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 68 D 7.53 4.46 0.00 2.58 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 69 S 8.60 4.90 0.00 3.86 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 70 T 8.57 4.68 4.21 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 1.18 0.00 0.00 71 I 8.27 4.13 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.90 0.00 0.00 72 A 8.79 3.96 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 73 D 7.96 4.52 0.00 2.67 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 74 E 8.08 4.34 0.00 2.04 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 2.27 2.23 0.00 75 G 7.53 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 76 T 8.19 4.72 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 1.23 0.00 0.00 77 W 8.19 5.25 0.00 3.37 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 78 T 8.52 4.56 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 1.17 0.00 0.00 79 L 8.71 4.63 0.00 1.92 1.80 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.63 4.73 0.00 2.02 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 2.29 2.31 0.00 81 D 8.69 4.67 0.00 2.69 2.64 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 82 R 8.24 4.66 0.00 1.78 1.90 0.00 3.42 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 83 K 8.16 3.80 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *85 V 7.96 3.74 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 0.81 0.00 0.00 0.93 0.00 0.00 86 R 8.54 4.48 0.00 1.77 1.78 0.00 3.22 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 87 I 8.26 4.35 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.89 0.00 0.00 88 V 8.36 4.23 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 0.78 0.00 0.00 0.89 0.00 0.00 89 L 8.26 4.70 0.00 1.51 1.51 0.97 0.92 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 90 T 8.13 4.43 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 1.20 0.00 0.00 91 K 8.40 4.28 0.00 1.75 1.99 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.17 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.18 1.23 7.81 92 T 8.90 4.00 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 1.24 0.00 0.00 93 K 8.03 4.60 0.00 1.81 1.98 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.46 7.81 94 R 8.49 4.66 0.00 1.76 1.89 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 95 D 8.42 4.74 0.00 2.88 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 96 A 8.58 3.98 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 97 A 8.01 4.23 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 98 N 8.32 4.95 0.00 2.89 3.01 0.00 0.00 6.88 8.24 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 99 C 7.89 4.45 0.00 3.18 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 0.00 100 W 8.95 4.44 0.00 3.23 3.28 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 0.00 101 T 8.50 4.43 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 1.28 0.00 0.00 102 S 7.48 5.06 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 0.00 103 L 8.88 4.31 0.00 1.78 1.92 1.08 0.68 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 0.00 104 L 7.65 4.85 0.00 1.90 1.57 1.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.80 3.88 0.00 1.84 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 2.25 2.29 0.00 106 S 7.47 4.73 0.00 3.78 3.73 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 0.00 107 E 8.25 4.31 0.00 1.70 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 1.47 1.73 0.00 108 Y 7.71 3.97 0.00 3.29 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 0.00 109 A 7.94 4.82 1.22 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 0.00 0.00 110 A 8.59 4.53 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 0.00 111 D 8.64 4.54 0.00 2.87 2.87 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 0.00 112 P 0.00 4.25 0.00 1.72 1.86 0.00 3.59 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 2.01 2.08 0.00 113 W 8.06 4.13 0.00 3.59 3.29 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 0.00 114 V 8.21 4.12 2.24 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 1.21 0.00 0.00 1.06 0.00 0.00 115 Q 8.36 4.15 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 116 D 8.10 4.49 0.00 2.65 2.87 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 0.00 117 Q 8.09 4.23 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.16 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 *119 Q 7.99 4.23 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 120 R 8.19 3.90 0.00 2.04 1.96 0.00 3.29 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 1.86 0.00 121 K 8.03 3.91 0.00 1.86 1.78 0.00 1.51 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.49 7.81 122 L 7.89 3.98 0.00 1.87 1.71 0.92 0.72 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 0.00 123 T 8.22 3.89 4.39 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 1.18 0.00 0.00 124 L 8.10 3.98 0.00 1.86 1.87 0.93 0.72 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 0.00 125 E 8.52 3.91 0.00 2.18 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 0.00 2.31 2.32 0.00 126 R 8.48 3.87 0.00 1.90 2.19 0.00 3.19 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 127 F 8.41 4.05 0.00 3.11 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 0.00 128 Q 8.49 4.12 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 129 K 8.09 3.92 0.00 1.85 1.97 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 130 E 8.14 4.22 0.00 1.81 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 2.30 2.45 0.00 131 N 7.46 5.06 0.00 2.36 2.58 0.00 0.00 6.58 9.28 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 0.00 132 P 0.00 4.38 0.00 2.17 2.18 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 133 G 8.08 3.62 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 0.00 0.00 0.00 134 F 8.10 4.24 0.00 3.02 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 0.00 135 D 8.78 4.77 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *136 F 8.64 4.52 0.00 2.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.