NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4270 8.3044 118.1937 55.0166 33.4846 174.8669 5 S 4.4693 7.6208 115.7338 55.1031 64.5104 170.8795 6 L 4.5441 9.4449 129.9846 55.8029 43.4673 174.7680 7 Y 5.0885 9.5718 123.4706 56.1552 42.5707 174.4138 8 R 5.1487 9.0052 120.9927 54.6130 33.9042 173.6124 9 L 5.2621 9.0206 127.3326 53.3228 45.5511 174.8419 10 I 5.1009 8.8895 127.0919 59.6892 40.2463 174.2281 11 Y 5.4014 8.6999 123.8795 55.4688 42.0190 173.9239 12 S 5.4103 8.9582 114.6600 57.1004 67.1328 172.4160 13 S 5.0533 8.7727 113.4374 58.0714 67.0509 173.0544 14 Q 4.7950 9.0712 119.7568 53.8757 29.9698 176.2178 15 G 4.3206 9.6241 113.8760 46.0115 0.0000 172.8874 16 I 4.1455 8.6125 115.9831 60.0965 38.2705 175.6057 17 P 4.3367 0.0000 0.0000 65.0908 31.3681 176.9366 18 N 4.9085 7.9237 113.6706 52.1942 37.5518 174.7563 19 L 4.1328 7.7657 121.1119 56.4064 42.2384 177.2131 20 Q 4.8035 9.3097 120.6963 51.8468 32.1203 172.5148 21 P 4.3454 0.0000 0.0000 66.8181 31.0619 178.7990 22 Q 3.9874 8.1194 118.0241 59.2856 28.8111 178.0649 23 D 4.3193 8.0652 119.9684 57.2072 40.8442 178.5831 24 L 4.0170 7.9806 121.4790 58.4592 41.5921 180.2759 25 K 4.0290 8.0438 123.5239 59.7768 31.6226 180.6953 26 D 4.5353 8.3947 120.4266 57.4089 40.7421 178.9703 27 I 3.6487 7.9928 120.5407 64.1111 37.0488 178.3574 28 L 3.9481 8.0118 123.5738 58.7433 41.8494 179.1848 29 E 3.9859 8.3744 118.6484 61.4456 29.5871 181.2366 30 S 4.3253 8.0119 116.2031 61.4477 62.9447 176.9036 31 S 4.0832 8.0858 117.7721 61.9437 62.4455 176.9175 32 Q 4.3181 7.9540 118.4630 58.1520 28.4982 178.0173 33 R 4.1214 7.4825 119.3361 58.3384 30.6398 177.2351 34 N 4.6444 7.9185 115.7266 55.1870 39.2665 176.9764 35 N 4.4046 8.5854 118.1456 55.9547 38.6945 175.4061 36 P 4.2213 0.0000 0.0000 65.6834 31.2748 178.5163 37 A 4.0922 8.0217 118.0263 54.3597 18.4998 177.5287 38 N 4.7066 7.6024 110.3517 52.2424 39.0742 175.0590 39 G 3.9820 7.7359 106.2364 46.5090 0.0000 173.7087 40 I 4.5116 7.8583 120.3128 59.7373 38.4662 175.5423 41 T 4.6822 9.8383 114.5248 59.3826 71.6746 173.3616 42 G 3.5282 7.2019 105.5830 45.4066 0.0000 170.8591 43 L 4.8249 7.3121 121.3160 53.3226 45.7636 175.7182 44 L 5.0176 9.0127 128.6744 53.4465 44.4437 174.3668 45 C 5.3837 9.2121 126.5713 57.7237 34.9618 171.7070 46 Y 5.1021 9.1174 126.4257 56.0481 41.5147 174.0560 47 S 4.7285 8.9231 124.1473 54.7060 64.0639 172.4161 48 K 3.4598 7.3717 124.7943 53.7472 31.8189 173.1857 49 P 4.8246 0.0000 0.0000 61.6208 32.8635 174.2990 50 A 5.0973 8.0900 123.3666 51.1039 21.0112 177.1135 51 F 5.4472 8.8833 120.6468 56.3502 42.1011 175.1898 52 L 4.7904 8.8494 123.0582 54.1028 45.4217 174.2994 53 Q 5.0333 8.4096 127.6485 54.0197 32.8583 174.0482 54 V 4.8700 8.1457 124.4763 59.8597 34.1933 174.3847 55 L 5.1975 9.2858 123.9386 53.0478 44.9157 175.3112 56 E 5.1221 10.2793 121.4221 54.0739 34.2190 176.5856 57 G 3.9297 7.8744 109.1788 44.6477 0.0000 171.4841 58 E 4.4599 8.0727 119.4857 55.8300 31.5921 177.1900 59 C 3.5961 8.7484 125.4258 62.8910 31.5107 176.0691 60 E 3.8949 8.0259 119.9549 59.3516 29.2648 178.5101 61 Q 4.0354 7.9686 117.5378 58.3602 28.8266 178.5239 62 V 3.6252 8.0514 119.8871 65.9229 31.5181 177.8496 63 N 4.4029 8.1948 116.2169 56.2919 38.4316 176.8315 64 E 3.9322 8.3059 120.7114 59.7815 29.6298 179.0719 65 T 3.8441 7.8977 115.5533 66.7015 68.4934 176.0689 66 Y 3.9431 8.3254 121.7474 61.1666 38.6612 177.9317 67 H 3.9358 8.2319 115.6164 58.1059 29.0800 177.6426 68 R 3.9481 7.9137 121.1066 59.4927 29.9938 178.5146 69 I 3.5828 7.7358 119.8325 64.3227 36.7898 178.4917 70 V 3.2836 7.1228 118.1948 65.7757 31.2925 177.3963 71 Q 4.1591 7.5407 114.9274 55.7265 29.4808 175.8197 72 D 4.3177 7.7326 124.1820 55.0234 41.6359 176.9212 73 E 4.4479 8.6812 120.9928 56.8963 30.3052 174.4886 74 R 4.6394 8.3766 117.5021 58.1361 31.1462 175.4296 75 H 5.5756 7.9951 112.8219 55.0013 32.2351 171.7392 76 H 4.7880 9.0518 114.0603 53.7937 32.4765 172.8611 77 S 3.7522 8.5382 111.9850 59.0216 59.8019 171.2842 78 P 4.6308 0.0000 0.0000 63.0765 32.4207 176.6060 79 Q 4.5063 9.2860 118.9244 54.1211 32.3748 174.6461 80 I 4.0584 8.6053 125.9052 61.9308 37.1228 176.1213 81 I 4.2421 8.9450 128.2301 63.0567 38.4901 176.1081 82 E 4.7437 7.7553 120.9686 55.0427 33.1912 173.5157 83 C 5.3187 8.3705 126.0881 58.2352 34.5433 172.5870 84 M 4.3263 8.7087 121.1333 53.6418 34.3583 172.5787 85 P 4.2042 0.0000 0.0000 62.4394 32.2008 175.6413 86 I 4.6666 8.1620 115.2631 59.3356 40.2501 175.7792 87 R 4.1924 8.7035 121.6784 58.1345 30.5723 176.8620 88 R 4.5333 7.2480 110.8709 55.0203 31.5649 174.7339 89 R 4.3292 8.4562 118.5552 56.5833 30.8516 176.3842 90 N 4.4859 9.2004 118.0485 54.8700 39.4735 176.6035 91 F 4.1703 8.5087 117.2027 57.8853 39.6329 176.2772 92 E 3.8189 8.3804 115.0437 57.1202 29.0031 174.9309 93 V 3.9097 8.2214 118.6748 64.4909 32.9006 175.4179 *96 M 4.1633 7.7548 118.4128 55.4873 32.8121 174.5038 97 Q 4.7828 8.3353 126.2798 54.4740 31.9759 173.9641 98 A 5.3379 8.3256 124.1419 50.3742 22.5049 175.5090 99 I 4.6145 8.7788 120.7640 59.7650 41.8662 174.2041 100 T 5.0124 8.5641 116.2805 60.1913 70.8645 174.2981 101 V 4.4476 9.2308 125.2072 61.3943 34.4311 173.5238 102 N 5.2068 9.2090 126.8938 51.7730 39.9977 175.0245 103 D 4.7562 8.7314 118.8957 55.2845 40.6466 176.7845 104 L 4.6362 7.5565 117.9741 54.5392 43.3091 177.0422 105 S 4.3934 7.5647 114.4353 58.1763 63.5932 174.2543 106 T 4.0441 8.4004 118.6959 64.0596 68.7893 175.4075 107 E 4.0870 8.7192 122.8169 59.0883 29.2485 179.4924 108 Q 3.9820 7.9782 119.9112 58.9857 29.1438 177.8816 109 V 3.7511 7.9098 119.3784 65.7037 31.5631 178.2568 110 K 4.0437 8.0301 117.8742 59.8512 32.0206 179.2143 111 T 3.8721 7.7855 115.8021 66.5834 68.0791 176.4302 112 L 4.1014 7.5515 121.7280 57.9659 42.1972 178.8400 113 V 3.8490 8.3536 118.6658 66.0423 31.4428 177.7829 114 L 4.0419 8.1923 120.1851 58.0274 41.6642 178.6936 115 K 3.7853 7.9708 118.7914 58.6952 32.0452 176.7225 116 Y 4.6937 7.2440 113.6056 57.4397 38.5997 174.6984 117 S 4.5644 7.5502 113.8098 57.5857 65.8359 174.5130 118 G 3.6891 8.6263 108.1680 47.5000 0.0000 172.9718 119 F 4.7563 7.7069 116.4523 55.8660 43.0805 174.2698 120 T 4.1275 8.7328 114.9537 63.7704 67.3986 173.9013 121 T 4.5136 7.5723 110.7302 59.8182 70.7041 173.8845 122 L 3.8450 8.2936 126.4459 55.0023 42.4685 176.6150 123 R 4.4197 8.1310 124.7652 53.5469 31.8174 174.1046 124 P 4.2708 0.0000 0.0000 65.0974 31.6204 179.2335 125 S 4.1012 8.1349 111.4069 60.2597 62.8900 174.6079 126 A 4.7146 7.6883 122.3405 51.7969 19.0355 175.7225 127 M 4.9671 7.9537 117.4521 54.0779 35.3118 176.1368 128 D 4.7314 8.6182 122.8018 51.8867 42.2566 175.8160 129 P 4.2282 0.0000 0.0000 65.9842 31.1886 178.5692 130 E 3.9680 8.1990 117.3932 59.2432 29.5285 178.7673 131 Q 3.9226 8.7335 118.4671 58.9638 28.8104 178.1307 132 C 4.0483 8.1144 117.8074 62.8658 28.1445 176.1657 133 L 3.9812 7.8512 121.4743 58.3652 41.7791 178.4507 134 N 4.1366 8.1050 116.5166 56.2889 38.3207 177.1316 135 F 3.9300 7.9520 122.0008 61.2716 39.5177 177.2292 136 L 3.8836 8.1012 118.5959 57.5898 41.3874 179.5589 137 L 3.8696 8.2050 119.0883 58.0450 41.7465 179.2130 138 D 4.4158 8.0877 118.7447 57.4974 40.5057 178.9041 139 I 3.7261 7.7031 118.4430 63.6433 38.1220 177.6486 140 A 4.1609 8.2618 121.7732 55.1199 18.1172 179.2047 141 K 3.9225 8.2756 117.4285 59.7576 32.2694 177.9684 142 I 4.2720 7.2851 109.5819 59.5678 38.0112 174.9827 143 Y 4.4332 8.1959 115.7688 57.9962 38.1511 175.4184 144 E 4.2017 9.8262 127.0363 57.6665 29.7287 174.2573 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 4 M 8.30 4.43 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 5 S 7.62 4.47 0.00 4.13 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 6 L 9.44 4.54 0.00 1.86 1.72 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.57 5.09 0.00 2.99 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 8 R 9.01 5.15 0.00 1.84 1.70 0.00 3.12 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 1.54 1.71 0.00 9 L 9.02 5.26 0.00 1.75 1.48 0.57 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.89 5.10 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.94 0.00 0.00 11 Y 8.70 5.40 0.00 3.17 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 12 S 8.96 5.41 0.00 4.02 3.99 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 13 S 8.77 5.05 0.00 4.18 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 0.00 14 Q 9.07 4.79 0.00 1.65 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 15 G 9.62 4.32 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 0.00 16 I 8.61 4.15 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 1.05 0.00 0.00 17 P 0.00 4.34 0.00 2.09 2.19 0.00 3.70 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 2.06 2.12 0.00 18 N 7.92 4.91 0.00 2.83 2.89 0.00 0.00 6.05 7.79 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 19 L 7.77 4.13 0.00 1.83 1.60 0.65 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 9.31 4.80 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.77 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 21 P 0.00 4.35 0.00 2.16 2.15 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 22 Q 8.12 3.99 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 23 D 8.07 4.32 0.00 2.85 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 24 L 7.98 4.02 0.00 1.87 1.71 0.83 0.59 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 25 K 8.04 4.03 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 26 D 8.39 4.54 0.00 2.80 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 27 I 7.99 3.65 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.76 0.00 0.00 28 L 8.01 3.95 0.00 1.88 1.85 0.92 1.06 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 29 E 8.37 3.99 0.00 1.99 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 2.25 2.24 0.00 30 S 8.01 4.33 0.00 3.96 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 31 S 8.09 4.08 0.00 3.84 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 32 Q 7.95 4.32 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 33 R 7.48 4.12 0.00 1.77 2.19 0.00 3.24 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 34 N 7.92 4.64 0.00 2.77 2.81 0.00 0.00 6.92 6.97 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 35 N 8.59 4.40 0.00 2.84 3.09 0.00 0.00 7.03 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 36 P 0.00 4.22 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 37 A 8.02 4.09 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 38 N 7.60 4.71 0.00 2.81 2.85 0.00 0.00 6.93 7.53 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 39 G 7.74 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 40 I 7.86 4.51 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.93 0.00 0.00 41 T 9.84 4.68 4.32 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 1.25 0.00 0.00 42 G 7.20 3.53 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 0.00 0.00 0.00 43 L 7.31 4.82 0.00 1.36 0.98 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.01 5.02 0.00 1.70 1.59 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.21 5.38 0.00 3.05 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 46 Y 9.12 5.10 0.00 3.05 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 47 S 8.92 4.73 0.00 3.77 3.48 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 48 K 7.37 3.46 0.00 1.81 1.64 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.05 7.81 49 P 0.00 4.82 0.00 2.09 2.27 0.00 3.53 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 1.96 1.91 0.00 50 A 8.09 5.10 1.19 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 0.00 0.00 51 F 8.88 5.45 0.00 3.22 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 52 L 8.85 4.79 0.00 1.72 1.49 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.41 5.03 0.00 1.77 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 54 V 8.15 4.87 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 0.12 0.00 0.00 0.91 0.00 0.00 55 L 9.29 5.20 0.00 1.61 1.62 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 E 10.28 5.12 0.00 2.02 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 2.31 2.32 0.00 57 G 7.87 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 58 E 8.07 4.46 0.00 2.07 1.84 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 2.43 2.48 0.00 59 C 8.75 3.60 0.00 2.78 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 60 E 8.03 3.89 0.00 2.03 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 2.36 2.37 0.00 61 Q 7.97 4.04 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 62 V 8.05 3.63 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 1.17 0.00 0.00 1.08 0.00 0.00 63 N 8.19 4.40 0.00 2.93 2.91 0.00 0.00 6.68 7.06 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 64 E 8.31 3.93 0.00 2.10 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 2.30 2.50 0.00 65 T 7.90 3.84 4.33 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 1.23 0.00 0.00 66 Y 8.33 3.94 0.00 2.92 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 67 H 8.23 3.94 0.00 3.12 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.91 3.95 0.00 1.88 2.12 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 69 I 7.74 3.58 1.68 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.79 0.00 0.00 70 V 7.12 3.28 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 0.66 0.00 0.00 0.01 0.00 0.00 71 Q 7.54 4.16 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 72 D 7.73 4.32 0.00 2.72 2.48 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 73 E 8.68 4.45 0.00 2.03 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 2.21 1.89 0.00 74 R 8.38 4.64 0.00 1.82 2.02 0.00 3.07 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 75 H 8.00 5.58 0.00 3.48 3.46 0.00 5.55 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.05 4.79 0.00 3.22 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.54 3.75 0.00 4.05 3.99 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 78 P 0.00 4.63 0.00 2.25 1.94 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 79 Q 9.29 4.51 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 80 I 8.61 4.06 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 0.92 0.47 0.80 0.00 0.00 81 I 8.94 4.24 2.01 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 1.13 0.72 0.92 0.00 0.00 82 E 7.76 4.74 0.00 2.00 1.72 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 2.26 2.30 0.00 83 C 8.37 5.32 0.00 2.93 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 84 M 8.71 4.33 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 85 P 0.00 4.20 0.00 1.76 1.81 0.00 3.35 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 86 I 8.16 4.67 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.86 0.00 0.00 87 R 8.70 4.19 0.00 1.81 2.02 0.00 3.39 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 88 R 7.25 4.53 0.00 1.85 1.84 0.00 3.01 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 89 R 8.46 4.33 0.00 1.85 1.96 0.00 3.23 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 90 N 9.20 4.49 0.00 2.48 2.35 0.00 0.00 6.95 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 91 F 8.51 4.17 0.00 3.32 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 92 E 8.38 3.82 0.00 2.23 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 2.21 2.29 0.00 93 V 8.22 3.91 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 0.81 0.00 0.00 0.96 0.00 0.00 *96 M 7.75 4.16 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 97 Q 8.34 4.78 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 98 A 8.33 5.34 1.18 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 0.00 0.00 99 I 8.78 4.61 1.65 0.00 0.00 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 0.47 0.47 0.47 0.00 0.00 100 T 8.56 5.01 4.54 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 1.32 0.00 0.00 101 V 9.23 4.45 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 1.16 0.00 0.00 1.08 0.00 0.00 102 N 9.21 5.21 0.00 2.78 2.80 0.00 0.00 6.75 8.11 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 0.00 103 D 8.73 4.76 0.00 2.68 2.73 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 0.00 104 L 7.56 4.64 0.00 1.62 1.69 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.56 4.39 0.00 4.01 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 0.00 106 T 8.40 4.04 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 1.20 0.00 0.00 107 E 8.72 4.09 0.00 1.98 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 2.41 2.32 0.00 108 Q 7.98 3.98 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 109 V 7.91 3.75 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 1.25 0.00 0.00 1.03 0.00 0.00 110 K 8.03 4.04 0.00 1.87 1.88 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.58 7.81 111 T 7.79 3.87 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 1.21 0.00 0.00 112 L 7.55 4.10 0.00 1.91 2.11 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.35 3.85 2.37 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 0.92 0.00 0.00 1.16 0.00 0.00 114 L 8.19 4.04 0.00 2.02 1.79 0.86 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.97 3.79 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.58 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.54 1.18 7.81 116 Y 7.24 4.69 0.00 3.06 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 0.00 117 S 7.55 4.56 0.00 3.92 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 0.00 118 G 8.63 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 0.00 0.00 0.00 119 F 7.71 4.76 0.00 2.91 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 0.00 120 T 8.73 4.13 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 1.32 0.00 0.00 121 T 7.57 4.51 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 0.00 122 L 8.29 3.84 0.00 1.47 1.52 0.23 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.13 4.42 0.00 1.82 1.76 0.00 3.10 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 124 P 0.00 4.27 0.00 2.16 2.07 0.00 3.56 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 2.09 2.01 0.00 125 S 8.13 4.10 0.00 3.98 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 0.00 126 A 7.69 4.71 1.29 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 0.00 127 M 7.95 4.97 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 128 D 8.62 4.73 0.00 2.96 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 0.00 129 P 0.00 4.23 0.00 2.18 2.23 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 130 E 8.20 3.97 0.00 2.05 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 0.00 2.40 2.41 0.00 131 Q 8.73 3.92 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 132 C 8.11 4.05 0.00 3.14 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 0.00 133 L 7.85 3.98 0.00 1.80 1.65 1.07 0.76 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 0.00 134 N 8.11 4.14 0.00 2.40 2.47 0.00 0.00 6.73 7.65 0.00 0.00 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 F 7.95 3.93 0.00 2.87 3.17 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 0.00 136 L 8.10 3.88 0.00 2.04 1.83 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.21 3.87 0.00 1.60 1.59 0.83 0.74 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 0.00 138 D 8.09 4.42 0.00 3.01 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 0.00 139 I 7.70 3.73 1.15 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 1.45 0.65 0.67 0.00 0.00 140 A 8.26 4.16 1.54 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 0.00 0.00 141 K 8.28 3.92 0.00 1.91 1.99 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 142 I 7.29 4.27 1.80 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 1.84 0.64 1.00 0.00 0.00 143 Y 8.20 4.43 0.00 3.14 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.83 4.20 0.00 2.14 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 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.