NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 S 5.2884 8.5598 114.8102 58.6746 64.1858 172.9999 24 N 4.9409 8.8767 117.7768 51.9483 38.4106 172.3767 25 A 4.4654 7.8652 120.7927 50.6666 23.4726 176.6167 26 I 4.5551 7.8665 120.6717 59.4933 40.0700 174.5256 27 Y 4.6282 8.2204 128.0024 56.2142 40.0929 175.9478 28 G 4.2609 9.4622 110.1190 45.6158 0.0000 173.3057 29 Y 4.4650 8.6979 116.6200 58.3264 39.3746 175.6089 30 V 4.2879 6.6978 120.1500 60.8802 34.8148 173.9434 31 E 4.7603 8.5326 125.2994 54.4830 34.4206 174.4849 32 K 4.9226 8.8742 120.8794 56.1083 33.2713 176.3467 33 A 4.8483 9.0524 125.3363 50.3978 23.1058 174.7445 34 T 4.8651 8.7865 117.1843 61.8391 71.8164 173.9070 35 L 4.9574 9.2086 127.8684 53.3595 41.3277 177.6400 36 I 3.8676 8.5356 119.2430 63.3617 37.8922 178.8590 37 D 4.4652 8.4199 120.3520 56.6817 40.7838 176.8837 38 Q 4.4564 8.0144 115.0084 54.5009 29.7567 175.1199 39 N 4.0494 7.6515 113.7564 54.3286 36.9089 174.7567 40 L 4.3409 7.6474 119.6153 53.8058 44.2021 175.2422 41 T 4.9537 8.3260 123.6677 62.3580 69.7571 174.4494 42 L 4.9521 8.8739 125.8824 52.6320 46.0329 176.0588 43 S 4.8491 8.7742 117.5227 58.6433 64.2329 172.9852 44 A 5.0298 9.0612 126.5046 49.8909 22.1182 174.6471 45 K 4.2473 8.5338 123.4320 55.1136 34.0618 175.3325 46 L 4.8616 8.5656 128.2762 53.5561 42.7393 175.9174 47 D 4.8913 9.0354 125.6503 52.4538 42.6033 176.4119 48 T 4.1284 8.6896 115.9210 63.0459 69.3184 176.0116 49 G 3.7019 8.2099 110.5934 46.7370 0.0000 173.3623 50 A 4.7191 7.5792 121.9359 50.0124 21.7143 177.2289 51 K 3.9384 8.7714 123.1270 59.4664 33.9129 177.2465 52 S 4.9033 8.0385 114.7430 57.6676 65.0103 173.3163 53 A 5.0257 8.3474 123.3637 51.0224 21.3705 176.2483 54 S 5.0147 8.8524 113.4887 56.8153 67.1688 172.8542 55 L 4.9978 8.7385 123.3677 53.5369 45.4694 174.6601 56 H 4.8752 8.4767 126.6471 56.2521 30.1965 174.2663 57 A 4.9322 8.3687 126.1278 50.6318 22.5459 175.1165 58 V 4.4043 8.8105 112.9700 59.0802 36.3873 174.9623 59 N 4.2583 8.5040 115.4006 54.5948 35.5142 175.1101 60 I 4.6345 7.7086 118.1253 61.0343 38.5841 176.8967 61 T 4.7226 9.1363 117.1762 59.8071 72.1376 172.3588 62 E 5.1144 8.8614 125.1617 55.1598 31.0908 174.8317 63 I 4.8754 9.1787 119.3641 59.2077 41.8434 173.6212 64 E 5.2248 8.8126 121.5062 54.5746 32.1454 175.8988 65 K 4.3159 9.3986 124.6184 55.1665 33.1204 176.5507 66 K 3.8284 9.6020 125.7348 57.5293 29.4488 176.8524 67 G 3.9501 8.4610 104.4132 45.6240 0.0000 173.5972 68 I 4.4120 7.7558 122.1490 58.7295 38.6717 173.1714 69 P 5.1587 0.0000 0.0000 63.1042 32.7026 174.8996 70 Y 5.1178 9.4859 120.2286 56.2221 42.5043 174.1230 71 L 5.2338 8.9562 121.4639 53.1497 44.6754 175.5205 72 R 5.0998 9.1607 124.5201 55.2796 32.0111 174.9893 73 F 5.4555 8.7400 119.5308 56.2370 42.1257 172.7699 74 T 5.1038 9.1188 116.7805 61.9905 71.2543 173.7573 75 V 4.7271 9.2554 127.0023 60.9307 32.9645 172.9711 76 P 5.3478 0.0000 0.0000 61.9246 32.8637 175.3689 77 T 4.8811 8.7848 111.6937 59.8739 72.1526 174.8139 78 K 4.1031 8.7897 120.2910 59.1283 32.0560 178.1311 79 T 4.4075 7.9807 108.1597 61.3731 69.1357 174.7605 80 G 3.7598 8.1429 109.4109 44.9548 0.0000 172.1615 81 D 5.4380 8.1841 116.9508 53.0718 43.5291 175.4985 82 Y 4.4074 8.8924 119.0537 56.2068 41.3756 174.3866 83 S 5.0596 8.4578 118.8538 56.9637 64.0577 172.9353 84 F 4.7471 8.8844 124.5296 55.5606 43.2405 173.5194 85 E 5.2791 8.8094 118.8929 54.8347 32.7457 175.7711 86 G 4.5225 9.4452 109.3009 44.3351 0.0000 171.7904 87 E 3.3519 8.7474 121.8971 56.4139 30.7493 175.4505 88 Y 4.7281 8.4986 126.2999 56.9757 38.9224 175.3213 89 V 4.2188 9.7971 120.2284 60.4266 33.4056 176.1476 90 G 3.9570 6.9491 106.5246 46.2990 0.0000 171.1616 91 K 5.3622 8.2273 117.7629 54.7308 35.9519 176.6462 92 V 4.5919 8.8278 115.2667 59.4074 36.2332 175.2080 93 K 4.6279 8.6844 123.1228 56.3994 32.6390 177.0315 94 I 4.2144 8.7139 124.3424 61.4215 39.7428 174.2673 *110 P 4.2915 0.0000 0.0000 62.4861 31.3013 177.1096 111 I 4.2966 7.4662 120.3393 61.1954 39.3290 176.6143 112 K 4.9115 8.6013 126.2043 55.6735 33.2488 176.3118 113 R 4.8865 8.9842 123.3574 53.5238 34.3547 173.3046 114 P 5.0799 0.0000 0.0000 62.6826 33.3949 174.8261 115 V 4.8369 9.0581 121.6368 61.3784 34.0027 174.8991 116 V 5.5914 8.5241 119.7282 58.5057 36.1124 174.2212 117 L 4.9526 8.3647 121.7425 53.7370 43.0911 176.2248 118 L 4.7996 8.7343 124.8462 53.3527 45.8031 174.7828 119 N 5.2032 8.9183 123.7215 52.9771 39.9289 174.0322 120 I 4.9208 8.9262 124.7822 59.3194 41.4361 174.2722 121 K 5.0910 9.2882 128.2718 54.6316 34.6655 174.5653 122 L 4.5116 8.6645 129.1315 52.6838 44.5792 176.0473 123 G 3.7735 8.8028 117.1184 47.5391 0.0000 173.2528 124 D 4.7892 8.9372 124.7540 53.7038 40.9842 175.6135 125 K 4.7179 8.1042 120.1906 54.4901 34.1891 175.3620 126 V 5.0091 8.3589 122.2131 61.2324 33.9705 174.6266 127 R 4.6487 8.8272 124.1875 54.8984 35.0586 174.0005 128 T 4.9053 8.3444 117.4422 62.2112 70.1157 174.2148 129 I 4.6331 8.4288 127.0123 59.0580 41.4461 175.0872 130 K 4.6649 8.6564 125.6740 56.4858 32.7163 176.8609 131 V 4.6138 8.7864 118.2939 59.4105 35.6813 174.9058 132 N 4.8435 9.2361 123.0606 53.1860 39.9347 174.1417 133 L 4.8140 8.3390 123.6833 53.6029 42.7460 176.1156 134 T 4.6760 8.6762 114.7144 60.0894 71.4311 175.0234 135 N 4.6619 8.7469 119.0078 54.3058 39.5197 175.7657 136 R 4.0634 7.9379 119.1272 56.0730 30.4931 175.6644 137 K 4.4931 8.6495 125.0640 56.1772 32.7296 175.3464 138 R 4.1327 7.6472 118.7813 55.4175 30.6497 175.1435 139 F 4.6421 7.3266 120.3819 56.9289 39.4030 173.2032 140 L 4.0601 8.6911 122.8581 56.1983 42.5113 176.2780 141 Y 4.8694 7.7097 115.7175 55.2472 40.3243 173.8632 142 P 3.7622 0.0000 0.0000 64.4157 32.9433 175.6637 143 L 5.0945 7.6711 123.2277 52.9056 45.3574 174.7450 144 L 5.1440 9.0732 128.0334 53.2050 45.1158 174.6636 145 L 4.7168 9.0328 126.8473 53.3670 43.8238 176.4400 146 G 4.2272 7.7361 113.9696 44.6877 0.0000 173.6495 147 R 3.9097 8.8258 117.8562 59.4171 29.9469 178.6608 148 D 4.3362 8.1438 118.4578 57.3838 40.8676 178.8725 149 A 4.1416 7.9141 120.5663 55.3052 18.5077 179.5275 150 I 3.7992 8.0130 118.4781 64.6574 37.1320 178.7878 151 I 3.7641 8.1840 120.9676 64.4870 36.7102 178.0138 152 D 4.3491 8.0014 118.7165 57.2900 40.7043 178.1514 153 F 4.5306 8.0404 114.9422 56.3686 39.7021 174.8857 154 N 4.2282 8.6458 117.5857 54.7432 37.8454 173.3924 155 G 4.7603 8.3433 101.7680 44.4811 0.0000 173.5616 156 A 5.0476 8.7602 122.0900 49.8296 22.6844 175.4971 157 V 4.7200 8.3228 118.8082 61.1979 34.0102 174.3793 158 D 4.9049 9.2928 129.1785 52.0266 41.9632 174.9822 159 P 4.5612 0.0000 0.0000 63.9778 31.7300 177.2379 160 A 4.1598 8.3883 122.1326 53.8786 18.8966 177.3737 161 L 4.9138 7.9634 116.1786 53.0902 44.3338 175.6417 162 T 4.5378 7.6552 109.4916 60.8392 72.1493 173.2996 163 F 4.0196 8.2649 119.8714 59.0832 36.7222 177.6449 164 T 4.0661 8.0125 111.1498 64.4832 69.3290 176.4838 165 T 4.0873 7.8935 111.0740 62.5075 69.2073 174.6198 166 K 4.2656 7.7538 126.6806 56.7649 32.7889 175.8109 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 23 S 8.56 5.29 0.00 4.14 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 24 N 8.88 4.94 0.00 2.67 2.90 0.00 0.00 6.64 6.39 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 25 A 7.87 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.87 4.56 1.79 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 1.30 0.81 0.82 0.00 0.00 27 Y 8.22 4.63 0.00 2.93 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 28 G 9.46 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 0.00 0.00 0.00 0.00 29 Y 8.70 4.47 0.00 3.00 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 30 V 6.70 4.29 0.95 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 0.43 0.00 0.00 -0.40 0.00 0.00 31 E 8.53 4.76 0.00 1.62 1.60 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 2.00 2.20 0.00 32 K 8.87 4.92 0.00 1.70 1.76 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.50 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.59 1.36 7.81 33 A 9.05 4.85 1.07 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 34 T 8.79 4.87 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 1.27 0.00 0.00 35 L 9.21 4.96 0.00 1.72 1.74 0.87 0.17 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 36 I 8.54 3.87 1.92 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 1.53 0.68 0.96 0.00 0.00 37 D 8.42 4.47 0.00 2.97 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 38 Q 8.01 4.46 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.00 39 N 7.65 4.05 0.00 2.86 2.85 0.00 0.00 6.68 7.22 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 40 L 7.65 4.34 0.00 1.45 1.59 0.05 0.74 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 41 T 8.33 4.95 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 1.26 0.00 0.00 42 L 8.87 4.95 0.00 1.51 1.52 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.77 4.85 0.00 4.04 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 44 A 9.06 5.03 1.10 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 45 K 8.53 4.25 0.00 1.32 1.57 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.49 7.81 46 L 8.57 4.86 0.00 1.42 1.57 0.67 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.04 4.89 0.00 2.66 2.51 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 0.00 0.00 0.00 0.00 48 T 8.69 4.13 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 1.23 0.00 0.00 49 G 8.21 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.58 4.72 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.77 3.94 0.00 1.85 1.80 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.46 7.81 52 S 8.04 4.90 0.00 3.80 3.72 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 53 A 8.35 5.03 1.26 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 0.00 0.00 54 S 8.85 5.01 0.00 3.76 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 55 L 8.74 5.00 0.00 1.58 1.30 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.48 4.88 0.00 2.90 2.97 0.00 5.80 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 57 A 8.37 4.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.81 4.40 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 0.77 0.00 0.00 0.98 0.00 0.00 59 N 8.50 4.26 0.00 2.92 2.92 0.00 0.00 6.92 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 60 I 7.71 4.63 1.86 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 0.42 0.83 0.00 0.00 61 T 9.14 4.72 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 62 E 8.86 5.11 0.00 2.08 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 2.37 2.66 0.00 63 I 9.18 4.88 1.91 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 1.45 1.28 0.95 0.00 0.00 64 E 8.81 5.22 0.00 1.87 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 2.25 2.58 0.00 65 K 9.40 4.32 0.00 1.63 1.59 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.63 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.14 1.13 7.81 66 K 9.60 3.83 0.00 1.92 1.90 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.42 7.81 67 G 8.46 3.95 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 0.00 0.00 0.00 68 I 7.76 4.41 2.26 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.92 0.00 0.00 69 P 0.00 5.16 0.00 2.30 2.34 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.94 0.00 70 Y 9.49 5.12 0.00 2.90 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 71 L 8.96 5.23 0.00 1.59 1.55 0.20 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.16 5.10 0.00 1.89 1.83 0.00 3.10 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 73 F 8.74 5.46 0.00 3.09 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 74 T 9.12 5.10 4.46 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 0.00 0.00 0.00 1.28 0.00 0.00 75 V 9.26 4.73 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 1.08 0.00 0.00 1.09 0.00 0.00 76 P 0.00 5.35 0.00 2.24 2.12 0.00 3.45 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 77 T 8.78 4.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 78 K 8.79 4.10 0.00 1.82 1.96 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.40 7.81 79 T 7.98 4.41 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 1.28 0.00 0.00 80 G 8.14 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 81 D 8.18 5.44 0.00 2.52 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 82 Y 8.89 4.41 0.00 3.06 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 83 S 8.46 5.06 0.00 3.76 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.88 4.75 0.00 1.51 2.42 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 85 E 8.81 5.28 0.00 1.87 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 2.20 2.23 0.00 86 G 9.45 4.52 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 87 E 8.75 3.35 0.00 1.78 1.63 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 1.74 2.02 0.00 88 Y 8.50 4.73 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 9.80 4.22 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 0.72 0.00 0.00 0.99 0.00 0.00 90 G 6.95 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 91 K 8.23 5.36 0.00 1.61 1.70 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.54 7.81 92 V 8.83 4.59 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 0.75 0.00 0.00 0.97 0.00 0.00 93 K 8.68 4.63 0.00 1.74 1.75 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 94 I 8.71 4.21 1.87 0.00 0.00 nan 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 0.59 0.91 0.00 0.00 *110 P 0.00 4.29 0.00 2.10 2.16 0.00 3.76 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 1.89 2.01 0.00 111 I 7.47 4.30 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.92 0.00 0.00 112 K 8.60 4.91 0.00 1.65 1.75 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.47 7.81 113 R 8.98 4.89 0.00 1.64 1.88 0.00 3.27 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 114 P 0.00 5.08 0.00 1.75 2.04 0.00 3.74 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 1.86 1.79 0.00 115 V 9.06 4.84 2.20 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 1.08 0.00 0.00 0.98 0.00 0.00 116 V 8.52 5.59 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 0.42 0.00 0.00 0.73 0.00 0.00 117 L 8.36 4.95 0.00 1.52 1.60 0.95 0.83 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 0.00 118 L 8.73 4.80 0.00 1.72 1.58 0.74 0.36 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 0.00 119 N 8.92 5.20 0.00 2.77 2.80 0.00 0.00 6.90 7.32 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 0.00 120 I 8.93 4.92 2.07 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 1.13 0.91 0.95 0.00 0.00 121 K 9.29 5.09 0.00 1.83 1.67 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 122 L 8.66 4.51 0.00 0.83 0.18 0.48 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.80 3.77 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 0.00 0.00 0.00 124 D 8.94 4.79 0.00 2.73 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 0.00 125 K 8.10 4.72 0.00 2.29 2.03 0.00 1.98 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.50 7.81 126 V 8.36 5.01 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 0.89 0.00 0.00 1.00 0.00 0.00 127 R 8.83 4.65 0.00 1.06 1.34 0.00 3.03 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 128 T 8.34 4.91 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 1.26 0.00 0.00 129 I 8.43 4.63 1.87 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 1.35 0.65 0.91 0.00 0.00 130 K 8.66 4.66 0.00 1.61 1.73 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.44 7.81 131 V 8.79 4.61 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 0.69 0.00 0.00 0.85 0.00 0.00 132 N 9.24 4.84 0.00 2.54 2.67 0.00 0.00 6.67 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.34 4.81 0.00 1.30 1.34 0.15 -0.13 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 0.00 134 T 8.68 4.68 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 1.16 0.00 0.00 135 N 8.75 4.66 0.00 2.76 2.95 0.00 0.00 6.91 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 0.00 136 R 7.94 4.06 0.00 1.79 1.91 0.00 3.30 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 137 K 8.65 4.49 0.00 1.76 1.77 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.47 7.81 138 R 7.65 4.13 0.00 1.72 1.80 0.00 3.56 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 139 F 7.33 4.64 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.69 4.06 0.00 1.44 0.86 0.81 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.71 4.87 0.00 3.03 2.85 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 0.00 142 P 0.00 3.76 0.00 2.07 2.37 0.00 4.00 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 143 L 7.67 5.09 0.00 1.78 1.46 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.07 5.14 0.00 1.65 1.42 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 145 L 9.03 4.72 0.00 1.50 1.53 0.73 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.74 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 0.00 0.00 0.00 0.00 147 R 8.83 3.91 0.00 1.82 2.00 0.00 3.14 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 148 D 8.14 4.34 0.00 2.77 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 0.00 149 A 7.91 4.14 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 0.00 150 I 8.01 3.80 1.92 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 1.52 0.72 1.04 0.00 0.00 151 I 8.18 3.76 2.06 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 1.54 0.71 0.92 0.00 0.00 152 D 8.00 4.35 0.00 2.57 2.39 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 0.00 153 F 8.04 4.53 0.00 3.17 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 0.00 154 N 8.65 4.23 0.00 2.94 3.03 0.00 0.00 6.92 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 0.00 155 G 8.34 4.76 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 0.00 156 A 8.76 5.05 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 0.00 157 V 8.32 4.72 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 0.87 0.00 0.00 1.00 0.00 0.00 158 D 9.29 4.90 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.56 0.00 2.04 2.05 0.00 3.81 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 1.93 1.90 0.00 160 A 8.39 4.16 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 0.00 161 L 7.96 4.91 0.00 1.73 1.56 0.92 0.34 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 0.00 162 T 7.66 4.54 3.46 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 0.00 0.00 0.00 0.90 0.00 0.00 163 F 8.26 4.02 0.00 3.32 3.08 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 0.00 0.00 0.00 0.00 164 T 8.01 4.07 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 1.24 0.00 0.00 165 T 7.89 4.09 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 1.31 0.00 0.00 166 K 7.75 4.27 0.00 1.82 2.21 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.