NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5133 0.0000 0.0000 62.0131 34.0483 175.3716 3 S 5.0894 8.0143 110.8684 56.7465 65.8275 171.5903 4 I 4.6861 9.3266 124.2291 60.0554 42.5607 173.3647 5 K 5.0914 8.7230 124.5953 54.9383 34.4476 175.2379 6 L 5.0195 9.1129 124.8826 53.0191 45.1210 175.4036 7 Q 5.2293 8.7906 123.5028 54.0420 31.5468 175.0267 8 S 4.8868 9.5297 122.7925 58.2650 63.9282 175.7011 9 S 4.3815 9.3989 116.2545 60.2464 62.6667 174.8677 10 D 4.7959 8.1266 119.5237 53.6990 40.0526 175.3219 11 G 4.1626 8.3917 113.0020 46.9563 0.0000 175.6375 12 E 4.0012 8.4149 119.6062 56.2314 30.7899 176.4745 13 I 5.0160 7.8775 123.1459 59.7009 39.7198 174.7884 14 F 4.7859 9.1748 126.0151 55.6545 41.9908 174.8721 15 E 5.0304 8.9404 122.4841 55.4097 30.2193 175.7879 16 V 4.4829 8.4688 118.4751 59.1482 34.9596 175.4793 17 D 4.9170 8.4706 121.8843 54.0780 42.0997 177.4639 18 V 3.6218 8.4014 119.9291 64.7926 31.3178 178.6345 19 E 3.9344 9.2297 118.9109 59.3609 29.8825 178.6769 20 I 3.8851 7.8308 119.2119 64.2027 37.4600 178.0861 21 A 4.0896 8.3173 121.7458 54.7042 17.9526 179.5122 22 K 4.0082 8.0557 117.5329 59.2191 32.3327 178.4736 23 Q 4.2966 7.6525 116.7628 56.4780 28.9089 176.0182 24 S 4.6070 7.5287 115.7811 56.1799 63.4361 174.5776 25 V 3.6753 8.2934 128.4500 66.2653 31.0534 178.0690 26 T 3.7417 7.8032 115.4276 66.8375 68.3487 176.8311 27 I 3.6862 7.7793 121.5259 63.9100 36.7684 178.5441 28 K 3.8486 8.2090 120.4077 59.8120 32.4150 178.1559 29 T 3.9592 8.1212 113.6189 65.6824 67.2005 175.7840 30 M 4.0684 7.8120 120.3564 58.3304 31.9102 178.3699 31 L 4.2770 7.7256 115.9701 56.9328 41.9273 176.6162 32 E 4.5312 7.9653 115.8136 57.9363 32.6892 177.5230 33 D 4.6329 8.7974 116.3230 55.1473 40.5613 177.0501 34 L 4.4342 8.7595 118.7882 54.2770 49.3542 175.5759 35 G 3.9977 7.9442 106.8558 46.6857 0.0000 172.2775 36 M 4.4098 7.2742 117.0727 53.8261 34.1531 176.1808 *43 D 5.0499 7.6443 118.3058 54.3179 43.1919 174.7611 44 P 4.6416 0.0000 0.0000 62.2922 31.0890 174.8537 45 V 3.6305 8.8057 124.5200 62.3539 32.6846 173.1561 46 P 4.6189 0.0000 0.0000 62.6399 31.5959 177.0620 47 L 5.0858 8.2863 126.3565 52.2934 40.5972 175.9859 48 P 4.3101 0.0000 0.0000 64.9795 31.8888 177.8442 49 N 4.4787 7.8679 114.3989 52.6782 38.9877 174.4916 50 V 4.3250 7.6183 119.5655 60.7187 33.9574 175.2178 51 N 5.0224 8.8431 123.8501 51.1438 38.6018 175.6623 52 A 4.2948 8.5575 120.0340 55.5288 18.3571 179.2831 53 A 4.0849 8.1357 119.1389 55.0554 18.5648 179.3815 54 I 3.6148 8.1129 116.6889 64.5502 37.4060 178.3162 55 L 3.9075 7.8771 120.7996 58.2900 41.4772 179.0017 56 K 3.5471 7.6723 119.0017 58.9059 32.0015 179.0769 57 K 4.2684 7.7855 118.5220 59.4505 32.3209 179.0621 58 V 3.8302 8.4546 118.8050 66.4237 31.3752 178.1357 59 I 3.8469 8.0920 119.4658 63.9444 36.8747 178.2592 60 Q 4.0040 7.8972 120.4766 58.9594 29.0703 177.6459 61 W 3.9172 8.8854 129.6611 60.8856 30.4492 177.7151 62 C 4.2204 8.3392 115.1316 62.9687 27.8234 176.0177 63 T 3.8818 7.8762 117.3453 66.7797 67.8497 175.9023 64 H 3.4619 7.4843 118.5991 58.8771 30.1866 176.7852 65 H 5.2711 7.2742 118.8578 54.5157 29.4583 177.6088 66 K 3.9522 7.4965 122.3418 59.5028 32.7100 177.5715 67 D 4.5723 7.6387 117.2486 55.1564 42.2188 177.1535 68 D 4.4783 7.2313 121.1029 53.6260 42.0333 174.5753 *85 I 4.2753 8.1047 121.4117 61.4494 38.4721 174.4783 86 P 4.5822 0.0000 0.0000 62.0425 33.2634 177.7930 87 V 3.6415 8.3552 119.0277 66.1179 31.5469 177.9127 88 W 4.1110 8.4349 127.5957 60.9288 30.3814 177.4847 89 D 4.7598 8.5723 118.1524 57.4239 40.1512 178.6852 90 Q 4.0784 8.1133 118.3289 58.7759 28.9782 178.0764 91 E 4.0210 8.8140 119.0955 59.4127 29.3520 178.7052 92 F 3.7270 8.0468 121.0058 60.5454 39.2942 176.1721 93 L 4.3357 7.7949 115.8969 53.7988 42.9857 178.0259 94 K 4.2277 7.6331 123.1640 55.1735 30.2982 175.4612 95 V 4.5151 7.0600 114.6078 57.8924 36.4363 175.7159 96 D 4.5554 8.2487 120.4066 53.3910 41.1297 176.9582 97 Q 4.1965 8.8767 120.0960 59.4322 28.6385 180.0692 98 G 3.5217 8.0008 105.8444 48.1609 0.0000 175.5658 99 T 3.8833 8.7234 119.3562 66.1776 68.4838 176.3310 100 L 3.9453 8.0629 122.0522 58.2566 41.9733 178.8642 101 F 4.0838 8.5246 120.6201 61.1517 39.2562 177.0161 102 E 4.1791 8.5125 118.6421 59.1750 29.2835 179.1713 103 L 4.0341 8.3945 119.5832 57.8335 41.7093 179.4946 104 I 3.6210 7.8371 119.7960 64.2068 36.8738 178.5916 105 L 3.8667 7.5971 119.6423 57.7446 41.4364 178.9985 106 A 4.1618 8.4643 120.8023 55.3132 18.3570 179.1312 107 A 3.8484 8.6189 118.9294 55.5208 18.4344 179.4486 108 N 4.1936 8.1598 115.0636 56.8832 38.8566 176.3540 109 Y 4.1844 8.4737 119.9808 60.9044 39.3457 177.8202 110 L 3.7233 8.7725 118.8417 54.2298 43.1331 175.4940 111 D 4.8204 7.5992 117.4596 55.0087 39.4835 171.7256 112 I 4.4795 7.9245 121.1356 57.5977 38.0343 176.1606 113 K 3.9057 8.6006 125.8655 59.4995 32.1635 177.2973 114 G 3.9741 8.2499 105.0671 48.2849 0.0000 175.0346 115 L 2.6642 7.3585 122.1860 56.0123 42.0171 178.3817 116 L 3.8625 7.7526 120.7349 57.7396 41.9466 178.2220 117 D 4.2182 8.1444 118.3753 57.4916 41.2075 178.6070 118 V 3.7073 7.3544 111.7083 64.6100 31.5876 178.7800 119 T 3.8418 7.5979 109.5168 65.0419 68.5635 176.5074 120 C 4.1472 7.9147 119.1310 62.3334 28.1407 176.1485 121 K 4.1023 8.1596 120.1661 59.3973 31.6122 179.6269 122 T 3.9699 8.1892 116.6417 66.5681 68.3624 176.9727 123 V 3.7307 7.7587 119.5905 65.7388 31.4875 177.9741 124 A 4.0006 7.9342 120.6306 55.4108 18.0930 179.4533 125 N 4.3526 8.4832 113.8256 56.6056 38.5872 177.2640 126 M 4.2764 7.8434 119.6313 58.1081 32.2088 178.5109 127 I 3.9789 7.8949 120.2789 63.2219 37.4751 176.8002 128 K 3.8037 7.5021 118.1453 58.4087 32.5722 175.8170 129 G 4.3629 9.0295 116.8819 45.7089 0.0000 174.3476 130 K 4.0720 7.1924 119.0622 56.0447 32.7782 177.5457 131 T 4.4339 8.0782 112.8417 59.9654 71.7876 174.0460 132 P 4.2811 0.0000 0.0000 65.9149 31.2061 178.5664 133 E 3.9245 8.0805 117.2606 59.4880 29.6702 178.6157 134 E 4.0137 7.9052 118.1013 59.0335 29.3127 179.4045 135 I 3.8930 7.6393 121.4888 63.3032 37.4253 178.3104 136 R 4.0163 8.0780 118.9298 59.7550 29.9058 178.4570 137 K 3.8485 8.2852 118.1160 60.1695 31.4522 178.7887 138 T 3.5365 8.0526 107.7173 66.5768 68.2604 174.9135 139 F 5.2296 7.6209 121.8207 55.0629 39.7746 174.7857 140 N 4.6769 7.7840 114.3222 53.0197 36.9275 172.5558 141 I 4.6532 7.7576 122.5132 58.6420 40.8518 175.6892 142 K 4.0642 8.5366 125.8820 56.3197 32.6461 176.7403 143 N 4.6311 8.3989 124.7446 52.3136 37.3496 174.3800 144 D 4.4129 8.0201 122.7146 55.5088 41.2807 177.1247 145 F 5.0313 7.8825 118.1375 57.5559 39.8891 175.2694 146 T 4.7470 8.6256 118.8321 61.8057 71.5928 176.0220 147 E 4.0016 8.7273 123.0460 59.0644 29.5877 179.0148 148 E 3.9765 8.0826 118.9398 58.4684 29.8958 178.0186 149 E 3.9857 7.9326 118.4614 59.3072 29.8592 178.7141 150 E 3.6906 8.2851 117.8238 58.2937 29.4087 179.2010 151 A 3.9664 7.2505 121.4474 54.8469 18.4718 179.4601 152 Q 3.8136 7.7469 117.5559 59.3408 29.0204 178.0751 153 V 3.9013 7.6258 119.6335 65.4796 31.6711 177.5986 154 R 3.9568 7.7206 117.5498 59.1658 29.9640 178.4052 155 K 3.9413 8.0350 119.3967 59.6057 32.2123 178.4891 156 E 4.3676 9.1770 118.9156 58.0644 29.0222 177.8067 157 N 5.0763 7.3905 114.7000 52.9634 39.9234 175.5729 158 Q 4.0399 8.3014 120.2558 58.7881 28.7733 178.7097 159 W 4.4304 8.3294 113.0692 58.7405 28.1076 175.3261 160 C 3.5724 6.6276 123.5760 59.0891 30.6851 172.7882 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 P 0.00 4.51 0.00 1.78 2.13 0.00 3.63 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 1.92 1.60 0.00 3 S 8.01 5.09 0.00 3.92 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 4 I 9.33 4.69 1.90 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 1.24 0.65 0.94 0.00 0.00 5 K 8.72 5.09 0.00 1.73 1.74 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 6 L 9.11 5.02 0.00 1.74 1.66 0.96 0.53 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 7 Q 8.79 5.23 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 8 S 9.53 4.89 0.00 4.13 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 0.00 9 S 9.40 4.38 0.00 4.03 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 0.00 10 D 8.13 4.80 0.00 2.77 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 11 G 8.39 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 12 E 8.41 4.00 0.00 2.05 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 2.22 2.31 0.00 13 I 7.88 5.02 1.77 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 1.34 0.72 0.95 0.00 0.00 14 F 9.17 4.79 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.94 5.03 0.00 1.89 1.95 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 2.27 2.34 0.00 16 V 8.47 4.48 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 0.80 0.00 0.00 0.97 0.00 0.00 17 D 8.47 4.92 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.40 3.62 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 0.76 0.00 0.00 0.93 0.00 0.00 19 E 9.23 3.93 0.00 1.88 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 2.30 2.37 0.00 20 I 7.83 3.89 1.99 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 1.52 0.77 0.91 0.00 0.00 21 A 8.32 4.09 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 22 K 8.06 4.01 0.00 1.87 2.11 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 Q 7.65 4.30 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.47 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 24 S 7.53 4.61 0.00 3.86 3.89 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 0.00 0.00 0.00 25 V 8.29 3.68 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 1.04 0.00 0.00 0.95 0.00 0.00 26 T 7.80 3.74 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 0.85 0.00 0.00 27 I 7.78 3.69 1.99 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 1.37 0.46 0.91 0.00 0.00 28 K 8.21 3.85 0.00 1.99 2.01 0.00 1.96 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.44 7.81 29 T 8.12 3.96 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 1.28 0.00 0.00 30 M 7.81 4.07 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 31 L 7.73 4.28 0.00 1.78 1.73 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.97 4.53 0.00 2.16 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 2.21 2.38 0.00 33 D 8.80 4.63 0.00 2.72 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 34 L 8.76 4.43 0.00 1.79 1.66 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.27 4.41 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 *43 D 7.64 5.05 0.00 2.68 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 44 P 0.00 4.64 0.00 1.96 2.05 0.00 3.70 0.00 0.00 3.60 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 45 V 8.81 3.63 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 0.96 0.00 0.00 1.03 0.00 0.00 46 P 0.00 4.62 0.00 2.03 2.05 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 2.06 2.28 0.00 47 L 8.29 5.09 0.00 1.87 1.76 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.31 0.00 2.16 2.21 0.00 3.99 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 2.02 2.04 0.00 49 N 7.87 4.48 0.00 1.44 2.12 0.00 0.00 6.62 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 50 V 7.62 4.32 2.21 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 0.99 0.00 0.00 1.20 0.00 0.00 51 N 8.84 5.02 0.00 3.11 2.98 0.00 0.00 6.62 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.56 4.29 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 0.00 0.00 0.00 0.00 0.00 53 A 8.14 4.08 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 54 I 8.11 3.61 1.90 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 1.72 0.94 0.95 0.00 0.00 55 L 7.88 3.91 0.00 1.90 1.32 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.67 3.55 0.00 1.97 2.00 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.60 7.81 57 K 7.79 4.27 0.00 2.15 2.04 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.51 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.73 1.37 7.81 58 V 8.45 3.83 2.25 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 1.11 0.00 0.00 1.05 0.00 0.00 59 I 8.09 3.85 1.83 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 1.38 0.72 0.94 0.00 0.00 60 Q 7.90 4.00 0.00 2.49 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.82 2.63 0.00 61 W 8.89 3.92 0.00 2.84 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 62 C 8.34 4.22 0.00 3.08 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 63 T 7.88 3.88 4.36 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 1.14 0.00 0.00 64 H 7.48 3.46 0.00 1.75 2.19 0.00 5.93 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 65 H 7.27 5.27 0.00 2.39 2.79 0.00 5.88 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.50 3.95 0.00 1.79 1.92 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.29 7.81 67 D 7.64 4.57 0.00 2.55 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 68 D 7.23 4.48 0.00 2.77 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 *85 I 8.10 4.28 1.95 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 1.51 0.54 1.04 0.00 0.00 86 P 0.00 4.58 0.00 2.57 2.09 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 87 V 8.36 3.64 2.18 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 1.09 0.00 0.00 0.99 0.00 0.00 88 W 8.43 4.11 0.00 3.44 3.18 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 0.00 89 D 8.57 4.76 0.00 3.19 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 90 Q 8.11 4.08 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.77 0.00 91 E 8.81 4.02 0.00 2.08 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 2.13 2.32 0.00 92 F 8.05 3.73 0.00 1.77 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 93 L 7.79 4.34 0.00 1.66 1.65 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.63 4.23 0.00 1.84 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.51 7.81 95 V 7.06 4.52 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 0.65 0.00 0.00 0.86 0.00 0.00 96 D 8.25 4.56 0.00 2.88 2.77 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 0.00 0.00 0.00 97 Q 8.88 4.20 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 98 G 8.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 3.88 4.34 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 1.14 0.00 0.00 100 L 8.06 3.95 0.00 1.79 1.90 0.90 0.84 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 0.00 101 F 8.52 4.08 0.00 3.24 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 0.00 102 E 8.51 4.18 0.00 2.24 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 2.60 2.53 0.00 103 L 8.39 4.03 0.00 1.79 1.68 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.84 3.62 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.73 0.00 0.00 105 L 7.60 3.87 0.00 1.84 1.70 1.14 0.60 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 0.00 106 A 8.46 4.16 1.42 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 0.00 0.00 0.00 107 A 8.62 3.85 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 0.00 108 N 8.16 4.19 0.00 2.91 2.97 0.00 0.00 6.89 7.11 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 0.00 109 Y 8.47 4.18 0.00 2.86 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 0.00 110 L 8.77 3.72 0.00 1.62 1.57 0.93 0.41 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 0.00 111 D 7.60 4.82 0.00 2.84 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 0.00 112 I 7.92 4.48 1.81 0.00 0.00 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 1.35 0.54 1.09 0.00 0.00 113 K 8.60 3.91 0.00 1.85 1.86 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.63 7.81 114 G 8.25 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 0.00 115 L 7.36 2.66 0.00 0.27 1.07 0.67 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.75 3.86 0.00 1.85 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.14 4.22 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 3.71 2.18 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 0.95 0.00 0.00 0.83 0.00 0.00 119 T 7.60 3.84 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 1.12 0.00 0.00 120 C 7.91 4.15 0.00 3.15 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 0.00 121 K 8.16 4.10 0.00 1.97 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.47 1.68 7.81 122 T 8.19 3.97 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 123 V 7.76 3.73 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 0.98 0.00 0.00 124 A 7.93 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.35 0.00 2.86 2.93 0.00 0.00 7.15 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 0.00 126 M 7.84 4.28 0.00 2.07 2.58 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 3.02 2.62 0.00 127 I 7.89 3.98 2.11 0.00 0.00 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 1.85 1.12 0.98 0.00 0.00 128 K 7.50 3.80 0.00 1.90 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.74 7.81 129 G 9.03 4.36 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 0.00 130 K 7.19 4.07 0.00 1.85 1.74 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.43 7.81 131 T 8.08 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 1.24 0.00 0.00 132 P 0.00 4.28 0.00 2.20 2.22 0.00 3.60 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 2.12 2.18 0.00 133 E 8.08 3.92 0.00 2.09 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 2.38 2.46 0.00 134 E 7.91 4.01 0.00 2.20 1.95 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 2.31 2.34 0.00 135 I 7.64 3.89 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.05 1.17 0.00 0.00 136 R 8.08 4.02 0.00 2.01 2.17 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 137 K 8.29 3.85 0.00 1.88 1.75 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.70 7.81 138 T 8.05 3.54 3.58 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 1.06 0.00 0.00 139 F 7.62 5.23 0.00 3.11 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 0.00 140 N 7.78 4.68 0.00 2.79 2.82 0.00 0.00 6.92 7.73 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 0.00 141 I 7.76 4.65 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.93 0.00 0.00 142 K 8.54 4.06 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.41 7.81 143 N 8.40 4.63 0.00 2.77 2.78 0.00 0.00 7.09 8.47 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 0.00 144 D 8.02 4.41 0.00 2.30 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.88 5.03 0.00 3.43 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 0.00 146 T 8.63 4.75 4.35 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 1.25 0.00 0.00 147 E 8.73 4.00 0.00 2.02 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 2.42 2.39 0.00 148 E 8.08 3.98 0.00 2.04 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 2.35 2.39 0.00 149 E 7.93 3.99 0.00 2.34 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 2.47 2.47 0.00 150 E 8.29 3.69 0.00 1.90 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 1.94 2.45 0.00 151 A 7.25 3.97 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 0.00 152 Q 7.75 3.81 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 153 V 7.63 3.90 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 1.07 0.00 0.00 0.63 0.00 0.00 154 R 7.72 3.96 0.00 1.97 2.07 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 155 K 8.04 3.94 0.00 2.02 1.92 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 156 E 9.18 4.37 0.00 2.15 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 2.37 2.58 0.00 157 N 7.39 5.08 0.00 2.58 2.60 0.00 0.00 6.98 8.63 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 0.00 158 Q 8.30 4.04 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 159 W 8.33 4.43 0.00 3.57 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 0.00 160 C 6.63 3.57 0.00 1.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 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.