NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5319 8.2893 120.3349 56.0010 33.5247 174.3517 2 T 5.0398 8.1655 107.0570 58.9287 69.7476 171.0926 3 E 4.4603 8.2956 119.9022 56.3286 30.9841 175.8681 4 P 4.3813 0.0000 0.0000 63.3080 32.9117 174.8390 5 I 4.7909 8.2046 123.1070 59.8042 39.4521 174.4732 6 F 5.1220 9.0838 126.9183 56.5892 40.7748 174.7669 7 M 5.0982 9.4003 124.3089 54.0893 33.7403 175.7479 8 V 4.7731 10.4241 117.0059 59.0102 36.4487 175.2670 9 G 3.8403 8.1454 109.4879 43.5701 0.0000 172.1730 10 A 4.7663 7.6893 122.6025 49.9687 19.4631 177.1857 11 R 4.1764 8.3806 116.3067 58.1207 29.5407 177.3910 12 G 3.9610 9.0693 110.1656 45.3908 0.0000 173.4360 13 C 4.1746 7.9002 113.3744 58.5116 30.3491 174.4767 14 G 3.8895 8.2548 109.0767 45.9520 0.0000 175.4314 15 K 3.8894 8.4110 120.1475 59.9784 32.4275 179.3383 16 T 4.1793 8.1943 114.6155 67.1278 68.3971 176.7896 17 T 3.7692 7.7980 117.0242 66.5678 68.5792 176.9581 18 V 3.5901 8.2863 120.7312 65.7261 31.5492 177.9174 19 G 3.7843 8.2275 105.9077 48.0360 0.0000 175.3313 20 R 2.7983 7.1038 121.6250 58.7066 30.0228 178.5266 21 E 3.8964 7.8845 118.2269 58.9865 29.3199 179.1547 22 L 3.8190 8.2691 120.7939 57.9768 42.1504 178.7408 23 A 3.9923 7.9817 120.7961 55.2299 18.3477 179.6055 24 R 3.7907 8.0331 116.8369 59.5334 30.1469 178.5751 25 A 3.9531 7.9298 120.5671 54.9656 18.1925 179.0037 26 L 4.0737 7.8569 115.0936 54.5552 41.8570 177.6687 27 G 3.8780 7.4951 106.3056 46.5889 0.0000 173.2420 28 Y 4.9231 8.1023 117.6329 56.2479 40.5035 175.1388 29 E 4.7658 8.9942 121.0376 56.5415 31.2602 175.9520 30 F 5.5105 8.4444 122.1848 57.0256 42.5374 173.6578 31 V 4.0737 7.9439 124.5906 61.0251 35.5819 172.9537 32 D 5.2192 8.1173 125.9650 52.3435 43.3376 176.5428 33 T 3.8786 9.0986 118.2098 65.1245 68.6135 176.2782 34 D 4.4973 8.2553 121.0510 57.4022 41.0419 178.6556 35 I 3.8621 8.3367 120.3682 64.1433 37.0640 178.2683 36 F 4.1333 8.6071 121.8594 61.5365 39.2192 176.9977 37 M 3.9453 8.4134 118.2756 58.4956 31.9397 178.3917 38 Q 4.1379 7.9956 120.8226 58.7201 29.0499 177.4987 39 H 4.6059 7.9818 113.7257 56.4053 29.2088 176.4179 40 T 4.1468 7.2423 111.2563 63.0804 69.7042 175.8667 41 S 4.1834 8.0075 115.0847 58.1216 63.7575 175.4419 42 G 3.8767 8.3089 107.8562 45.3982 0.0000 172.7467 43 M 4.7488 7.8061 119.9935 53.3955 34.2688 176.1596 44 T 4.8012 8.9913 115.8963 60.3421 71.4147 176.3428 45 V 3.2615 8.0706 120.3801 64.6433 31.2486 178.1304 46 A 3.7376 7.7194 120.9063 54.8380 18.2417 179.0654 47 D 4.2009 8.0261 117.4080 57.5145 40.8929 179.2773 48 V 3.5028 7.8111 118.7215 65.9527 31.5260 178.1954 49 V 3.0603 7.7438 118.1036 65.8116 31.0237 177.8047 50 A 3.9254 8.0193 119.4725 54.9439 18.2472 178.9299 51 A 4.2666 7.7631 118.0278 53.9093 19.1596 177.9705 52 E 4.4019 8.1232 113.0002 54.9786 32.4979 176.4513 53 G 3.9371 8.4527 109.5081 44.5313 0.0000 174.8090 54 W 4.3928 8.6213 117.6156 59.5289 28.8633 177.0059 55 P 4.4889 0.0000 0.0000 65.5401 30.8267 178.9229 56 G 3.6028 7.8944 104.7022 47.6483 0.0000 175.5525 57 F 4.1971 8.3760 123.2106 61.2519 39.3361 177.4931 58 R 3.9015 8.6887 118.0117 59.0780 29.7054 179.4222 59 R 3.8507 7.8412 117.5867 59.2632 30.0355 179.1662 60 R 3.8290 7.8663 117.8427 59.1655 29.9940 178.7173 61 E 3.6816 8.0543 119.4076 59.2577 29.6073 178.9558 62 S 4.0372 8.1117 115.3742 61.7723 62.8171 176.6719 63 E 3.8721 8.2453 121.0477 59.0898 29.1302 179.2858 64 A 3.8668 8.2003 121.2521 54.8639 18.5758 179.0860 65 L 3.7440 7.7591 118.9422 58.7005 41.8319 179.4112 66 Q 3.5631 7.1415 115.3598 58.6997 28.6211 178.3896 67 A 4.0734 7.8324 121.2019 54.5814 18.5191 179.2480 68 V 3.9088 7.3747 108.1949 60.5739 32.4136 176.5056 69 A 4.1886 7.4015 122.7422 52.4947 18.6546 176.6100 70 T 4.4437 7.8973 115.4593 60.3382 70.1501 171.1223 71 P 4.3453 0.0000 0.0000 63.3271 32.0418 175.3912 72 N 3.1400 8.5639 114.4871 53.3919 36.7036 174.1481 73 R 5.0990 7.0002 115.6799 54.9728 34.2950 173.3141 74 V 4.7141 9.0784 126.2102 61.4410 33.9202 174.5540 75 V 4.6598 8.9233 127.7111 61.0321 33.7624 174.1039 76 A 4.9416 9.1082 131.7433 51.6910 19.8077 176.0701 77 T 5.3591 7.7896 111.9120 58.6822 71.8138 174.5894 78 G 3.9839 8.7660 111.9162 44.9798 0.0000 174.6521 79 G 4.3028 8.9921 109.2171 48.1772 0.0000 174.6991 80 G 4.0376 8.1005 106.2074 45.2683 0.0000 174.8921 81 M 4.1901 8.1552 121.1101 58.3823 32.2456 177.6105 82 V 3.9126 7.6903 109.3101 62.1606 32.2605 177.0306 83 L 4.0157 7.6564 120.6264 57.3665 41.9348 177.7502 84 L 4.3504 7.6122 118.5291 53.6361 42.9178 177.2778 85 E 3.9211 8.8688 124.0339 59.4186 29.6746 179.0591 86 Q 4.0600 8.0647 117.1104 59.2875 28.5247 178.3398 87 N 4.3179 7.9821 118.3881 56.1792 38.6950 177.5638 88 R 3.8991 7.7851 119.0659 59.1994 30.1127 178.7786 89 Q 3.9297 8.2317 119.4285 58.9255 29.0062 177.7975 90 F 3.9277 8.2405 121.6914 61.6391 39.4443 177.0564 91 M 3.2905 7.9609 118.0854 58.3512 31.4762 179.1169 92 R 4.0906 7.6948 116.4223 59.1620 30.2180 178.5028 93 A 4.0407 8.0922 120.7717 55.4713 18.4837 179.0930 94 H 4.1679 8.4336 114.9388 59.6133 29.3614 176.1802 95 G 4.0579 8.5494 110.4545 46.1218 0.0000 173.3340 96 T 5.0572 9.5048 120.3958 61.7464 72.4675 173.1156 97 V 5.0644 8.9963 125.2177 61.2471 34.5154 174.2039 98 V 5.0559 9.1097 127.3018 61.3848 34.6289 173.2458 99 Y 5.2981 9.1792 129.7679 56.4401 40.3949 174.3319 100 L 4.4587 9.0836 128.5462 53.6075 42.1605 175.7624 101 F 4.0855 8.4706 127.3295 56.8064 40.8277 174.4093 102 A 4.2173 7.1935 125.9152 49.3398 22.1409 174.2749 103 P 4.1255 0.0000 0.0000 62.1135 32.4923 177.2868 104 A 3.9400 8.7693 122.9777 55.5365 17.9992 179.5434 105 E 3.8154 8.2225 116.9525 59.9134 29.6125 178.9787 106 E 3.9304 8.0096 117.6679 59.1375 29.3701 179.0613 107 L 3.8737 7.9420 118.3290 57.7984 41.8188 179.0388 108 A 4.1300 8.2292 119.2672 55.2013 18.3922 179.0027 109 L 4.2662 7.8803 116.4321 57.1028 41.8936 178.2897 110 R 3.9957 7.5171 119.7310 56.6666 29.9622 177.3916 111 L 4.6766 8.0481 126.7008 55.2720 40.3555 176.3866 112 Q 4.2610 7.9233 117.4914 56.3707 28.7679 177.6648 *128 I 4.2007 7.7231 120.3684 61.9749 40.0836 177.6505 129 A 4.0701 8.0572 124.0993 55.6171 18.4124 179.6326 130 E 4.1704 8.0717 115.7023 60.1946 30.1093 180.2653 131 E 4.2398 7.9989 117.5686 59.7624 29.7488 178.3269 132 M 4.1709 8.1426 118.9054 57.8166 32.0513 178.1830 133 E 3.9156 8.1198 119.1321 59.3194 29.8433 178.7828 134 A 4.0763 8.0020 120.3834 54.7434 18.3660 179.8230 135 V 3.5209 7.8127 117.0243 66.2989 31.6776 178.3736 136 L 4.1237 8.2584 118.8893 57.6897 41.1972 179.4534 137 R 4.0032 7.8984 118.2180 59.2992 30.0606 177.9014 138 E 4.0671 8.0454 118.3539 58.3687 29.9322 177.8965 139 R 4.2195 8.0716 115.9801 55.5783 31.8692 177.3705 140 E 4.1365 8.5578 120.1942 59.7001 29.4990 178.8513 141 A 4.0064 7.9100 119.7934 54.9996 18.4735 179.4799 142 L 3.8202 7.4777 117.2333 57.9148 41.2192 179.0135 143 Y 4.0154 7.5702 116.9493 61.1326 37.4212 178.7727 144 Q 4.0943 7.8200 117.5858 58.9654 28.8842 178.0561 145 D 4.5046 8.1258 119.5249 57.4942 41.0124 179.0697 146 V 3.7679 7.6473 117.3676 62.7903 32.0983 176.5843 147 A 4.3747 7.4463 122.9186 52.4411 18.8992 176.9243 148 H 4.4623 9.0502 120.3627 57.7555 29.8226 175.8003 149 Y 4.8851 7.9292 114.6490 55.9887 41.8680 174.7522 150 V 5.0337 8.7386 123.1284 61.0639 34.1361 174.8675 151 V 4.5546 8.4289 126.5608 59.5230 34.9079 174.5012 152 D 4.8317 8.6662 121.8621 54.3208 41.6180 175.7493 153 A 4.5700 8.9907 128.2226 52.7118 18.5046 177.7783 154 T 4.1767 8.3490 106.0694 62.2310 69.5753 175.4441 155 Q 4.2427 7.3239 120.3196 54.7676 29.7868 174.7014 156 P 4.4126 0.0000 0.0000 62.0359 33.2650 175.8696 157 P 4.2093 0.0000 0.0000 65.9133 31.2803 178.9567 158 A 3.9371 7.9251 118.7601 55.0493 18.3775 179.4062 159 A 3.9560 7.8931 118.8748 55.1831 18.4504 179.7882 160 I 3.6180 7.6630 118.1790 64.3682 37.1833 178.5397 161 V 3.5315 7.9919 119.4319 66.3298 31.4289 177.7232 162 C 4.0218 7.9921 116.0629 62.8474 27.9450 175.8176 163 E 3.8914 8.1495 120.6200 59.2734 29.2264 178.7378 164 L 3.8525 8.5171 119.3780 58.1478 41.6774 179.4108 165 M 3.9881 7.9505 118.5197 58.2624 31.6844 178.7296 166 Q 3.8410 7.8966 119.1981 59.5023 29.1217 178.2784 167 T 3.8030 7.8121 115.5041 67.0406 68.4723 175.6455 168 M 3.7213 7.9923 117.9711 55.2860 32.6588 176.2005 169 R 3.7587 7.2355 117.3904 57.4785 27.8989 176.1089 170 L 4.7336 7.7822 116.2863 52.0383 44.6477 175.7251 171 P 4.4115 0.0000 0.0000 61.9734 32.3359 176.0322 172 A 4.2054 8.1702 122.6426 51.6103 19.2000 177.5916 173 A 4.1585 8.5975 122.1798 52.5437 18.3424 177.8902 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 8.29 4.53 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 2 T 8.17 5.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 3 E 8.30 4.46 0.00 2.16 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 2.33 2.31 0.00 4 P 0.00 4.38 0.00 1.45 2.23 0.00 3.80 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 2.17 2.07 0.00 5 I 8.20 4.79 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.99 0.00 0.00 6 F 9.08 5.12 0.00 3.14 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 7 M 9.40 5.10 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.79 0.00 8 V 10.42 4.77 2.29 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 0.87 0.00 0.00 1.13 0.00 0.00 9 G 8.15 3.84 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 0.00 0.00 0.00 10 A 7.69 4.77 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 11 R 8.38 4.18 0.00 1.97 2.03 0.00 3.06 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 G 9.07 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 13 C 7.90 4.17 0.00 3.13 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 14 G 8.25 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 0.00 0.00 0.00 15 K 8.41 3.89 0.00 1.91 2.01 0.00 1.99 0.00 0.00 1.97 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.53 7.81 16 T 8.19 4.18 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 1.46 0.00 0.00 17 T 7.80 3.77 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 1.17 0.00 0.00 18 V 8.29 3.59 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 0.98 0.00 0.00 0.93 0.00 0.00 19 G 8.23 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.10 2.80 0.00 1.04 1.68 0.00 3.00 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 21 E 7.88 3.90 0.00 1.94 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 2.47 2.38 0.00 22 L 8.27 3.82 0.00 1.73 1.79 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.98 3.99 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.03 3.79 0.00 1.86 2.03 0.00 3.07 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 1.59 1.63 0.00 25 A 7.93 3.95 1.32 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 26 L 7.86 4.07 0.00 0.92 0.66 0.39 0.54 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 27 G 7.50 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.10 4.92 0.00 2.90 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 29 E 8.99 4.77 0.00 1.92 1.91 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 2.36 2.28 0.00 30 F 8.44 5.51 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.94 4.07 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 0.77 0.00 0.00 0.84 0.00 0.00 32 D 8.12 5.22 0.00 2.65 2.44 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 33 T 9.10 3.88 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 1.16 0.00 0.00 34 D 8.26 4.50 0.00 3.05 2.88 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 0.00 0.00 0.00 35 I 8.34 3.86 1.94 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 1.50 0.99 1.00 0.00 0.00 36 F 8.61 4.13 0.00 3.02 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 37 M 8.41 3.95 0.00 2.19 2.37 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 2.96 2.67 0.00 38 Q 8.00 4.14 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.25 1.88 0.00 39 H 7.98 4.61 0.00 3.16 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.24 4.15 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 0.45 0.00 0.00 41 S 8.01 4.18 0.00 3.95 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 42 G 8.31 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 43 M 7.81 4.75 0.00 2.04 1.93 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 2.66 2.40 0.00 44 T 8.99 4.80 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 1.20 0.00 0.00 45 V 8.07 3.26 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 0.83 0.00 0.00 -0.28 0.00 0.00 46 A 7.72 3.74 1.24 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 0.00 0.00 47 D 8.03 4.20 0.00 2.78 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 48 V 7.81 3.50 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 1.10 0.00 0.00 1.04 0.00 0.00 49 V 7.74 3.06 1.55 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 0.38 0.00 0.00 -0.79 0.00 0.00 50 A 8.02 3.93 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 51 A 7.76 4.27 1.32 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 52 E 8.12 4.40 0.00 2.09 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 2.21 2.21 0.00 53 G 8.45 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 54 W 8.62 4.39 0.00 3.47 3.30 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 55 P 0.00 4.49 0.00 2.21 2.16 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 56 G 7.89 3.60 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 0.00 0.00 0.00 57 F 8.38 4.20 0.00 2.96 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 58 R 8.69 3.90 0.00 1.90 1.99 0.00 3.43 0.00 0.00 3.46 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 59 R 7.84 3.85 0.00 2.00 1.93 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 60 R 7.87 3.83 0.00 1.84 1.90 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 61 E 8.05 3.68 0.00 1.31 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 0.00 2.18 2.23 0.00 62 S 8.11 4.04 0.00 3.90 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 63 E 8.25 3.87 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 64 A 8.20 3.87 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 65 L 7.76 3.74 0.00 1.56 1.53 0.85 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.14 3.56 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 1.38 1.84 0.00 67 A 7.83 4.07 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 68 V 7.37 3.91 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 -0.17 0.00 0.00 0.81 0.00 0.00 69 A 7.40 4.19 1.76 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 70 T 7.90 4.44 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 1.21 0.00 0.00 71 P 0.00 4.35 0.00 1.99 1.97 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 72 N 8.56 3.14 0.00 2.62 2.59 0.00 0.00 6.73 7.55 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 73 R 7.00 5.10 0.00 1.73 1.75 0.00 3.16 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 74 V 9.08 4.71 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 1.07 0.00 0.00 1.14 0.00 0.00 75 V 8.92 4.66 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 1.02 0.00 0.00 0.79 0.00 0.00 76 A 9.11 4.94 1.57 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 0.00 0.00 77 T 7.79 5.36 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 1.40 0.00 0.00 78 G 8.77 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 79 G 8.99 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 0.00 0.00 0.00 80 G 8.10 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 0.00 0.00 0.00 0.00 81 M 8.16 4.19 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 82 V 7.69 3.91 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 0.88 0.00 0.00 0.46 0.00 0.00 83 L 7.66 4.02 0.00 1.81 1.69 0.80 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.61 4.35 0.00 1.66 1.54 0.89 0.83 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 85 E 8.87 3.92 0.00 2.00 1.92 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 2.36 2.34 0.00 86 Q 8.06 4.06 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 87 N 7.98 4.32 0.00 2.97 2.85 0.00 0.00 6.89 7.33 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 88 R 7.79 3.90 0.00 1.94 1.93 0.00 3.06 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 89 Q 8.23 3.93 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 90 F 8.24 3.93 0.00 3.20 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 91 M 7.96 3.29 0.00 1.65 1.89 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 2.48 1.28 0.00 92 R 7.69 4.09 0.00 1.80 2.00 0.00 3.21 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 93 A 8.09 4.04 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 94 H 8.43 4.17 0.00 2.92 3.42 0.00 5.88 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.55 4.06 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 0.00 0.00 0.00 96 T 9.50 5.06 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 97 V 9.00 5.06 2.29 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 1.21 0.00 0.00 1.09 0.00 0.00 98 V 9.11 5.06 2.22 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 1.01 0.00 0.00 1.08 0.00 0.00 99 Y 9.18 5.30 0.00 3.10 2.90 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 0.00 100 L 9.08 4.46 0.00 1.51 1.57 0.94 0.72 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 0.00 101 F 8.47 4.09 0.00 2.20 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 0.00 102 A 7.19 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.13 0.00 2.14 2.00 0.00 3.62 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 104 A 8.77 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.22 3.82 0.00 2.03 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 2.37 2.42 0.00 106 E 8.01 3.93 0.00 1.94 1.91 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 2.36 2.35 0.00 107 L 7.94 3.87 0.00 1.70 1.72 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.23 4.13 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 0.00 109 L 7.88 4.27 0.00 1.84 1.76 0.95 0.90 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 0.00 110 R 7.52 4.00 0.00 1.93 1.90 0.00 3.22 0.00 0.00 3.51 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 111 L 8.05 4.68 0.00 1.69 1.62 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.92 4.26 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.27 1.91 0.00 *128 I 7.72 4.20 1.88 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 1.05 0.91 0.00 0.00 129 A 8.06 4.07 1.32 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 0.00 130 E 8.07 4.17 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 2.29 1.92 0.00 131 E 8.00 4.24 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 132 M 8.14 4.17 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.83 0.00 133 E 8.12 3.92 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 134 A 8.00 4.08 1.39 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 0.00 0.00 135 V 7.81 3.52 2.26 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 1.20 0.00 0.00 0.96 0.00 0.00 136 L 8.26 4.12 0.00 1.81 1.84 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.90 4.00 0.00 2.00 1.96 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 138 E 8.05 4.07 0.00 1.99 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 2.22 2.27 0.00 139 R 8.07 4.22 0.00 1.81 1.05 0.00 3.23 0.00 0.00 2.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 140 E 8.56 4.14 0.00 2.24 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 0.00 2.46 2.51 0.00 141 A 7.91 4.01 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 0.00 142 L 7.48 3.82 0.00 1.40 1.50 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.57 4.02 0.00 2.13 1.43 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 0.00 0.00 0.00 0.00 144 Q 7.82 4.09 0.00 2.17 2.19 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 2.63 2.68 0.00 145 D 8.13 4.50 0.00 2.71 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 0.00 146 V 7.65 3.77 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 0.84 0.00 0.00 0.93 0.00 0.00 147 A 7.45 4.37 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.05 4.46 0.00 2.99 2.74 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.93 4.89 0.00 2.95 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 0.00 150 V 8.74 5.03 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 1.15 0.00 0.00 151 V 8.43 4.55 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 1.02 0.00 0.00 152 D 8.67 4.83 0.00 2.88 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 0.00 153 A 8.99 4.57 1.24 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 0.00 0.00 154 T 8.35 4.18 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 1.22 0.00 0.00 155 Q 7.32 4.24 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 156 P 0.00 4.41 0.00 2.13 1.95 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 157 P 0.00 4.21 0.00 2.11 2.06 0.00 3.57 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 2.08 2.13 0.00 158 A 7.93 3.94 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 0.00 159 A 7.89 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.66 3.62 1.98 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 1.38 0.92 0.89 0.00 0.00 161 V 7.99 3.53 2.17 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 0.96 0.00 0.00 0.90 0.00 0.00 162 C 7.99 4.02 0.00 3.12 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 0.00 163 E 8.15 3.89 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 164 L 8.52 3.85 0.00 1.74 1.60 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 165 M 7.95 3.99 0.00 2.13 2.17 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 2.71 2.43 0.00 166 Q 7.90 3.84 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 167 T 7.81 3.80 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 1.20 0.00 0.00 168 M 7.99 3.72 0.00 1.70 1.96 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.05 0.00 169 R 7.24 3.76 0.00 1.88 1.95 0.00 3.12 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 170 L 7.78 4.73 0.00 1.50 1.42 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.41 0.00 2.16 2.03 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 172 A 8.17 4.21 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 0.00 173 A 8.60 4.16 1.25 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 * Residues marked with a * may have inaccurate shift predictions.