NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9337 8.1633 120.6908 55.3308 34.2922 173.9326 2 R 4.7952 8.7713 116.3035 53.9177 34.3018 169.6019 3 V 5.0720 8.9435 123.8217 59.8941 36.0176 174.6443 4 V 4.8478 9.2873 122.0583 61.4743 34.2989 174.2372 5 I 4.7076 8.5122 129.5722 60.4301 39.1999 175.1546 6 Q 4.9552 8.7253 124.5785 53.9171 32.4188 174.5865 7 R 4.2236 8.9973 125.9389 56.3846 31.3048 175.7369 8 V 5.8154 8.7510 118.2485 58.8392 35.8848 175.8331 9 K 4.4303 8.3836 118.5947 56.4530 34.3612 176.1729 10 G 4.1074 7.1557 105.3220 45.6200 0.0000 171.8269 11 A 4.8931 7.1669 121.3972 51.6527 23.5126 175.8850 12 I 4.5765 8.3454 123.7967 59.3458 40.2326 174.4587 13 L 4.7925 8.0915 130.0882 54.4854 43.8354 175.7882 14 S 5.6753 9.1392 120.9184 56.3200 67.9878 172.6133 15 V 4.9739 7.8734 111.8465 60.3519 36.3846 174.4960 16 R 4.6939 8.4316 120.8793 55.6186 30.1367 176.7214 *26 E 4.2770 8.6912 122.8768 55.7691 31.3875 175.6390 27 L 4.5421 7.6631 117.3583 54.0640 43.3002 175.1974 28 E 4.7095 8.5040 119.6900 55.1519 33.3416 174.0437 29 I 4.6216 8.4940 128.4475 61.3572 37.4498 175.6523 30 I 4.5783 8.5869 118.7005 60.8438 39.0186 174.8102 31 S 4.7355 7.2403 117.7886 57.5114 67.8974 172.5239 32 E 5.5027 7.8292 115.9967 56.1992 31.1052 175.9039 33 I 4.7953 8.2861 116.8189 58.5654 41.5552 175.2237 34 K 4.6727 8.4965 122.8351 55.6372 31.1688 177.1078 35 N 4.4169 8.5798 123.5263 53.6841 39.4199 175.1566 36 G 4.2826 7.0007 107.4852 46.2805 0.0000 170.9010 37 L 5.2498 7.8890 120.2467 52.9097 46.3870 175.4921 38 I 4.5549 8.2637 121.3881 59.4963 40.3989 174.0428 39 C 4.9432 8.7711 128.1316 58.0604 29.9284 173.5085 40 F 4.9359 9.2512 125.3147 56.8326 39.4552 174.5667 41 L 5.1946 9.4032 127.5779 53.0433 44.7292 175.2131 42 G 4.6272 9.7537 114.0647 44.5446 0.0000 171.5858 43 I 5.0569 8.5786 125.4105 60.4109 38.8932 175.1328 44 H 3.7174 10.7593 130.7591 55.8879 30.6802 176.9858 45 K 3.8784 7.6367 123.9062 56.9812 31.5499 178.7606 46 N 4.9534 8.2482 112.2360 52.6686 39.3653 174.3569 47 D 4.5300 7.3298 118.7080 55.0090 41.7166 176.0229 48 T 5.0190 9.1638 111.5792 59.2123 71.9935 174.4040 49 W 4.7203 8.8695 128.9422 60.0358 30.7047 177.7091 50 E 3.9650 8.1320 119.2351 59.7131 28.9990 178.8714 51 D 4.3752 8.0563 118.3087 57.1070 40.8422 178.5979 52 A 3.9617 7.9402 120.7854 55.2302 18.3789 179.2863 53 L 3.5020 6.8903 116.7327 57.9624 41.5430 179.0282 54 Y 4.0657 7.7146 118.6926 60.8323 38.7365 177.9706 55 I 3.6895 7.7170 120.0661 64.8562 37.3725 178.1902 56 I 3.0308 7.8653 120.4059 64.3897 36.7428 178.4821 57 R 3.6992 8.4092 120.3776 59.0703 29.7826 178.6763 58 K 3.8411 7.8935 118.4571 59.2593 32.0491 178.9972 59 C 4.1495 8.2872 116.2652 62.7405 28.1327 175.6955 60 L 4.2490 7.8319 119.2208 56.0202 41.6018 177.2685 61 N 4.8475 7.5028 113.2024 52.5982 40.4027 174.9189 62 L 4.0485 7.7886 120.0570 54.7261 42.1374 176.7050 63 R 4.8491 8.2538 122.5634 55.0564 29.0794 175.8082 64 L 3.8495 7.9562 123.8340 53.5482 42.5520 176.6143 65 W 5.4212 8.0087 117.1950 55.2137 33.3089 173.9871 66 N 5.2985 9.0618 118.3339 52.4271 40.1404 173.4763 67 N 5.1452 8.0454 122.4557 52.6472 39.5153 176.0868 68 D 4.1243 8.0160 127.1583 54.4969 39.9761 174.8083 69 N 4.1482 8.9684 125.0661 57.9476 38.6805 175.2882 70 K 3.8395 7.8602 118.2171 55.4201 32.3451 177.6900 71 T 5.3831 8.0375 111.7304 59.4198 70.8849 174.1579 72 W 4.3231 8.8098 122.5504 58.3629 26.4138 174.6121 73 D 4.6858 8.6429 118.1851 55.0577 41.8656 176.2181 74 K 4.7959 8.0980 117.6586 54.4310 34.1671 175.1462 75 N 5.6062 8.6512 118.8843 50.1567 40.0107 175.9755 76 V 3.2880 8.5118 117.1572 64.9287 31.1013 178.4043 77 K 3.7254 8.8768 119.4440 59.0108 31.8676 178.7146 78 D 4.4361 7.4686 116.7312 56.0792 41.0920 177.1033 79 L 4.1900 6.7580 115.9765 52.9200 43.5913 176.2060 80 N 4.4020 8.6110 116.2202 54.4738 37.6417 173.3847 81 Y 4.8246 7.6723 114.1278 57.5615 39.2116 174.6284 82 E 4.9967 8.6644 119.6540 55.1539 32.8400 175.5958 83 L 4.9977 8.6370 120.8970 53.1124 44.8160 175.4377 84 L 5.0160 8.6005 126.7428 53.0006 44.0837 175.3630 85 I 4.9206 8.0947 125.3375 59.6141 40.6977 174.6329 86 V 4.5470 8.6421 126.8661 60.8891 34.5993 174.4594 87 S 4.8615 8.4710 122.3715 58.5598 63.3329 173.8649 88 Q 4.4510 9.4870 128.1309 54.2802 29.6965 174.9953 89 F 4.5605 8.6689 120.5624 58.9902 38.6493 177.9599 90 T 3.9410 6.7914 110.7118 63.0427 68.6544 175.8912 91 L 4.0283 7.7537 122.3122 57.1765 41.6634 177.5287 92 F 4.8152 8.4843 116.7477 57.0587 39.7704 176.0632 93 G 3.5311 8.0600 108.0202 46.0400 0.0000 173.8346 94 N 4.8186 8.9743 125.7021 53.5590 40.2255 175.3316 95 T 4.5301 8.2483 112.0089 60.9904 70.1533 174.9031 96 K 4.0493 10.4694 122.9908 58.7950 32.2194 177.1711 97 K 4.4734 7.6688 117.4998 55.1092 34.8435 177.4097 98 G 3.9279 8.5053 112.6130 45.7008 0.0000 172.5978 99 N 4.8591 8.5280 114.0220 52.3599 40.4778 174.0805 100 K 4.2267 7.8496 120.4651 54.7526 32.9728 174.2582 101 P 4.8295 0.0000 0.0000 61.5241 32.0710 175.2193 102 D 4.5467 8.2187 122.4110 53.1163 41.4906 175.9713 103 F 5.3461 8.3988 126.0723 57.7134 39.4458 177.8306 104 H 4.0150 8.2778 120.6552 58.4559 28.9817 175.9676 105 L 4.2918 7.8865 117.0736 54.3233 42.4614 175.8889 106 A 4.0298 7.5959 121.2598 51.0036 19.1782 177.5655 107 K 4.0737 8.2139 123.4177 56.0778 32.8903 176.7970 108 E 3.6928 9.1496 125.2265 56.5765 29.8910 175.6973 109 P 3.8184 0.0000 0.0000 64.7897 31.2972 177.8264 110 N 4.2595 8.3110 115.4343 57.1177 38.4982 176.7924 111 E 3.9963 8.3325 118.5905 59.7213 29.5692 179.5710 112 A 4.1662 8.5281 120.5568 55.5038 18.6081 179.5348 113 L 2.0000 8.8984 119.1301 57.3713 42.2836 178.5314 114 I 4.0123 7.3846 116.1520 62.1888 38.4595 177.2239 115 F 4.1400 7.8861 120.7753 61.3108 39.0707 176.1891 116 Y 4.4191 8.9877 120.1244 60.7293 38.5320 177.1429 117 N 4.2467 8.1948 120.0027 57.0428 38.7703 177.9704 118 K 4.1055 8.0159 124.8223 59.6715 31.7888 182.8508 119 I 4.1564 7.6978 120.8252 64.4892 37.0280 178.3066 120 I 3.7404 7.9415 121.0173 64.9547 36.7886 177.8662 121 D 4.3717 7.9497 119.2223 57.4001 40.6794 178.3193 122 E 3.7042 8.4404 119.0807 58.8859 29.0952 178.9634 123 F 4.0071 8.2555 117.9467 60.6709 39.2839 177.6249 124 K 4.0039 8.4993 118.3011 59.4314 31.6949 179.1513 125 K 3.8800 8.6646 119.7038 59.5762 32.0858 177.5523 126 Q 4.2882 7.7406 115.0088 57.0743 28.5552 175.0397 127 Y 4.8654 7.0981 117.2329 56.3134 41.8828 173.8353 128 N 4.0884 7.8958 107.6766 52.6640 43.1346 175.0092 129 D 4.2885 9.1389 125.7504 57.4625 41.2176 176.7345 130 D 4.6344 9.3062 116.5999 54.6061 41.3345 176.7747 131 K 4.3595 7.9537 118.7704 56.2667 33.7124 175.7040 132 I 4.8361 7.5693 121.3619 59.4873 38.3214 175.1078 133 K 4.8004 8.8299 126.7060 54.5164 35.3872 175.2776 134 I 4.6276 8.2806 115.4461 59.3742 40.8055 174.7775 135 G 4.2480 8.2360 110.4744 45.0660 0.0000 174.8753 136 K 4.4845 7.9274 115.2861 53.5556 31.9726 173.8864 137 F 3.5574 8.1071 121.7685 58.3126 40.3522 173.8686 138 G 4.2017 8.3252 117.0760 45.6620 0.0000 173.6205 139 N 4.7244 7.6966 115.3426 51.8765 39.5738 174.3313 140 Y 4.2667 8.3713 121.1461 58.1086 39.4707 175.0624 141 M 5.0470 7.1607 124.6758 52.2798 36.0379 173.9226 142 N 4.5886 8.3289 121.6002 52.2233 41.0394 173.4272 143 I 4.8734 8.1794 126.9059 58.9369 39.0215 173.7611 144 D 4.4671 8.8052 126.6398 54.5026 41.6165 175.6256 145 V 4.6947 8.4296 122.9702 61.2559 35.1601 174.9446 146 T 4.5290 8.0714 122.2222 61.8001 70.4312 173.1256 147 N 4.9486 8.7490 124.7159 52.9444 39.9953 174.4596 148 D 4.1717 10.0098 125.0691 56.2747 42.1155 174.6641 149 G 4.1032 9.3129 118.4443 45.1158 0.0000 172.4043 150 P 4.8289 0.0000 0.0000 60.8501 33.2639 176.4905 151 V 4.2067 7.9906 117.3339 61.5861 34.0368 173.9894 152 T 5.0753 8.5034 124.9389 61.9725 70.5139 174.0206 153 I 4.5274 8.6956 127.8974 59.9034 40.2221 174.4043 154 Y 5.1493 8.3645 124.5295 56.1924 41.4523 174.2382 155 I 4.3914 8.0813 127.0170 59.2795 40.7879 174.0383 156 D 5.2643 8.3417 124.4916 52.8172 43.5954 175.6473 157 T 3.9904 8.6311 114.5997 63.9758 69.6738 176.8529 158 H 4.4749 8.0875 114.7352 56.8031 27.9619 175.2415 159 D 4.9345 7.8771 116.9511 53.9651 41.3536 175.4707 160 I 4.6269 7.9684 119.5018 59.7461 41.2865 175.1359 161 N 4.5038 8.4943 117.7550 53.5712 38.6162 175.3525 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 1 M 8.16 4.93 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.77 4.80 0.00 1.40 1.69 0.00 2.21 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 3 V 8.94 5.07 2.11 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 0.64 0.00 0.00 1.03 0.00 0.00 4 V 9.29 4.85 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 1.14 0.00 0.00 1.17 0.00 0.00 5 I 8.51 4.71 1.78 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 1.19 0.79 0.81 0.00 0.00 6 Q 8.73 4.96 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 7 R 9.00 4.22 0.00 1.45 1.84 0.00 2.21 0.00 0.00 2.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.00 8 V 8.75 5.82 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 0.96 0.00 0.00 1.01 0.00 0.00 9 K 8.38 4.43 0.00 1.61 1.81 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.44 7.81 10 G 7.16 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 11 A 7.17 4.89 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 12 I 8.35 4.58 1.87 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 1.11 1.26 0.91 0.00 0.00 13 L 8.09 4.79 0.00 1.58 1.51 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.14 5.68 0.00 3.79 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 15 V 7.87 4.97 2.11 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 0.76 0.00 0.00 0.95 0.00 0.00 16 R 8.43 4.69 0.00 1.88 1.93 0.00 3.29 0.00 0.00 3.64 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 *26 E 8.69 4.28 0.00 2.00 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 2.29 2.30 0.00 27 L 7.66 4.54 0.00 1.70 1.62 0.95 0.90 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 28 E 8.50 4.71 0.00 2.05 1.75 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 2.22 2.30 0.00 29 I 8.49 4.62 1.87 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 1.40 0.65 1.01 0.00 0.00 30 I 8.59 4.58 1.89 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 1.23 0.71 0.96 0.00 0.00 31 S 7.24 4.74 0.00 3.75 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 32 E 7.83 5.50 0.00 1.92 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 2.01 2.11 0.00 33 I 8.29 4.80 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 0.89 0.00 0.00 34 K 8.50 4.67 0.00 1.76 1.42 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.50 7.81 35 N 8.58 4.42 0.00 1.44 1.95 0.00 0.00 6.64 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 36 G 7.00 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 0.00 0.00 0.00 37 L 7.89 5.25 0.00 1.60 1.47 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.26 4.55 1.70 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.56 0.41 0.00 0.00 39 C 8.77 4.94 0.00 2.74 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 40 F 9.25 4.94 0.00 3.09 2.95 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 41 L 9.40 5.19 0.00 1.86 1.70 1.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.75 4.63 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 0.00 0.00 0.00 43 I 8.58 5.06 1.98 0.00 0.00 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 1.47 0.78 0.62 0.00 0.00 44 H 10.76 3.72 0.00 3.52 3.59 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.64 3.88 0.00 1.86 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.29 7.81 46 N 8.25 4.95 0.00 2.65 2.85 0.00 0.00 6.88 8.06 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 47 D 7.33 4.53 0.00 2.46 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 48 T 9.16 5.02 4.42 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 1.34 0.00 0.00 49 W 8.87 4.72 0.00 3.45 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 50 E 8.13 3.96 0.00 2.02 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 2.41 2.55 0.00 51 D 8.06 4.38 0.00 2.95 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 52 A 7.94 3.96 0.81 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 53 L 6.89 3.50 0.00 1.50 1.51 0.64 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.71 4.07 0.00 3.22 3.10 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 0.00 0.00 0.00 55 I 7.72 3.69 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 1.93 0.72 1.04 0.00 0.00 56 I 7.87 3.03 1.54 0.00 0.00 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 0.60 0.75 -0.05 0.00 0.00 57 R 8.41 3.70 0.00 1.64 1.68 0.00 2.97 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 58 K 7.89 3.84 0.00 1.72 1.68 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.48 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.83 1.26 7.81 59 C 8.29 4.15 0.00 3.27 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 60 L 7.83 4.25 0.00 1.66 1.59 0.78 0.71 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 61 N 7.50 4.85 0.00 2.78 2.73 0.00 0.00 7.05 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 62 L 7.79 4.05 0.00 1.73 1.46 0.84 0.78 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 63 R 8.25 4.85 0.00 1.84 2.00 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 64 L 7.96 3.85 0.00 0.59 0.82 0.59 0.52 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 65 W 8.01 5.42 0.00 3.65 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 66 N 9.06 5.30 0.00 2.98 2.76 0.00 0.00 6.35 6.71 0.00 0.00 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 N 8.05 5.15 0.00 2.68 2.70 0.00 0.00 7.24 8.51 0.00 0.00 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 8.02 4.12 0.00 2.84 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 0.00 0.00 0.00 69 N 8.97 4.15 0.00 2.69 2.82 0.00 0.00 6.60 7.61 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 70 K 7.86 3.84 0.00 1.67 1.73 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.46 1.04 7.81 71 T 8.04 5.38 3.36 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 1.00 0.00 0.00 72 W 8.81 4.32 0.00 3.44 3.27 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 73 D 8.64 4.69 0.00 2.70 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 74 K 8.10 4.80 0.00 1.87 1.61 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.28 7.81 75 N 8.65 5.61 0.00 3.19 2.97 0.00 0.00 6.62 7.38 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 76 V 8.51 3.29 2.43 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 0.80 0.00 0.00 1.13 0.00 0.00 77 K 8.88 3.73 0.00 1.72 1.74 0.00 1.57 0.00 0.00 1.34 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 1.17 7.81 78 D 7.47 4.44 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 79 L 6.76 4.19 0.00 0.27 0.13 -0.15 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.61 4.40 0.00 2.78 2.92 0.00 0.00 7.18 8.08 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 81 Y 7.67 4.82 0.00 2.79 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 82 E 8.66 5.00 0.00 1.89 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 2.27 2.33 0.00 83 L 8.64 5.00 0.00 1.65 1.42 1.13 0.80 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 84 L 8.60 5.02 0.00 1.70 1.40 0.92 0.73 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 85 I 8.09 4.92 1.65 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 0.88 0.44 0.87 0.00 0.00 86 V 8.64 4.55 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 1.03 0.00 0.00 0.88 0.00 0.00 87 S 8.47 4.86 0.00 3.17 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 88 Q 9.49 4.45 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 89 F 8.67 4.56 0.00 3.30 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 90 T 6.79 3.94 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 0.05 0.00 0.00 91 L 7.75 4.03 0.00 1.70 1.61 1.07 0.84 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 92 F 8.48 4.82 0.00 3.33 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 93 G 8.06 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 94 N 8.97 4.82 0.00 2.76 2.62 0.00 0.00 6.27 7.12 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 95 T 8.25 4.53 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 96 K 10.47 4.05 0.00 1.79 1.89 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 97 K 7.67 4.47 0.00 1.65 1.61 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.36 7.81 98 G 8.51 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 99 N 8.53 4.86 0.00 2.65 2.78 0.00 0.00 6.69 7.61 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 0.00 100 K 7.85 4.23 0.00 1.70 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 101 P 0.00 4.83 0.00 1.31 1.60 0.00 3.74 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 102 D 8.22 4.55 0.00 2.66 2.45 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 0.00 0.00 0.00 0.00 103 F 8.40 5.35 0.00 3.27 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 0.00 104 H 8.28 4.01 0.00 3.19 3.45 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.89 4.29 0.00 1.74 1.31 1.07 1.07 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 0.00 106 A 7.60 4.03 1.38 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 0.00 0.00 0.00 107 K 8.21 4.07 0.00 1.80 1.69 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.35 7.81 108 E 9.15 3.69 0.00 2.04 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 2.34 2.33 0.00 109 P 0.00 3.82 0.00 2.21 1.98 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 110 N 8.31 4.26 0.00 2.73 2.88 0.00 0.00 6.84 7.66 0.00 0.00 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 E 8.33 4.00 0.00 2.19 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 2.42 2.41 0.00 112 A 8.53 4.17 1.64 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 0.00 0.00 113 L 8.90 2.00 0.00 1.53 1.73 0.45 0.85 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 0.00 114 I 7.38 4.01 1.83 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 1.37 1.07 0.93 0.00 0.00 115 F 7.89 4.14 0.00 3.48 3.24 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 0.00 116 Y 8.99 4.42 0.00 3.36 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 0.00 117 N 8.19 4.25 0.00 2.67 2.88 0.00 0.00 7.07 7.46 0.00 0.00 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 K 8.02 4.11 0.00 1.80 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 7.70 4.16 2.09 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.37 1.17 0.00 0.00 120 I 7.94 3.74 1.95 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.29 0.85 0.00 0.00 121 D 7.95 4.37 0.00 3.05 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 0.00 122 E 8.44 3.70 0.00 2.34 1.93 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 2.20 2.29 0.00 123 F 8.26 4.01 0.00 3.35 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 0.00 124 K 8.50 4.00 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 125 K 8.66 3.88 0.00 1.94 1.89 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.45 7.81 126 Q 7.74 4.29 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 127 Y 7.10 4.87 0.00 2.78 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 0.00 128 N 7.90 4.09 0.00 2.33 1.60 0.00 0.00 6.99 8.37 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 0.00 129 D 9.14 4.29 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.31 4.63 0.00 2.50 2.63 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 0.00 131 K 7.95 4.36 0.00 0.92 1.58 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.02 1.13 7.81 132 I 7.57 4.84 1.87 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.01 0.81 0.00 0.00 133 K 8.83 4.80 0.00 1.71 1.65 0.00 1.47 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.37 7.81 134 I 8.28 4.63 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 1.39 1.06 0.86 0.00 0.00 135 G 8.24 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 0.00 136 K 7.93 4.48 0.00 1.78 1.68 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 137 F 8.11 3.56 0.00 2.96 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 0.00 138 G 8.33 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 0.00 0.00 0.00 0.00 139 N 7.70 4.72 0.00 2.76 2.81 0.00 0.00 7.01 7.00 0.00 0.00 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 Y 8.37 4.27 0.00 2.90 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 0.00 141 M 7.16 5.05 0.00 1.72 1.70 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 142 N 8.33 4.59 0.00 2.81 2.64 0.00 0.00 6.98 7.82 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 0.00 143 I 8.18 4.87 1.92 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 1.37 0.64 0.92 0.00 0.00 144 D 8.81 4.47 0.00 2.64 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 0.00 145 V 8.43 4.69 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 0.83 0.00 0.00 1.04 0.00 0.00 146 T 8.07 4.53 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 1.22 0.00 0.00 147 N 8.75 4.95 0.00 2.62 2.75 0.00 0.00 7.00 8.06 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 0.00 148 D 10.01 4.17 0.00 2.56 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 0.00 149 G 9.31 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.83 0.00 2.19 2.08 0.00 3.34 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 151 V 7.99 4.21 1.81 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 0.63 0.00 0.00 0.81 0.00 0.00 152 T 8.50 5.08 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 1.25 0.00 0.00 153 I 8.70 4.53 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.65 0.86 0.00 0.00 154 Y 8.36 5.15 0.00 2.91 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 0.00 155 I 8.08 4.39 1.74 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 1.09 0.60 0.94 0.00 0.00 156 D 8.34 5.26 0.00 2.66 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 0.00 157 T 8.63 3.99 4.01 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 1.22 0.00 0.00 158 H 8.09 4.47 0.00 3.23 3.34 0.00 5.60 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.88 4.93 0.00 2.60 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 0.00 160 I 7.97 4.63 1.57 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 1.19 0.44 0.55 0.00 0.00 161 N 8.49 4.50 0.00 2.68 2.70 0.00 0.00 6.77 7.56 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 * Residues marked with a * may have inaccurate shift predictions.