NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4333 8.3049 120.3285 54.0152 33.0692 172.7300 2 S 4.1263 7.6215 113.6533 58.1232 67.1747 174.5437 3 N 4.5772 9.2188 117.4623 53.8024 39.2519 172.8941 4 T 4.5219 8.0033 116.2938 63.2249 69.4739 174.6352 5 L 4.7649 8.3870 122.0954 55.9098 44.7504 176.4229 6 F 5.0460 8.5236 118.8636 57.3278 43.5996 173.2644 7 D 4.1424 6.8941 119.6719 53.7314 43.6153 173.6617 8 D 4.6815 8.3972 125.7641 53.5674 45.5354 173.0326 9 I 5.2573 8.2605 118.2082 59.7125 40.5400 175.0719 10 F 5.2754 9.2765 123.7722 55.7106 43.7974 173.5705 11 Q 4.9826 9.6821 123.6004 54.2383 31.4679 174.6817 12 V 4.3049 8.5961 127.8901 63.0467 32.0373 176.2974 13 S 4.7144 9.2499 122.3752 58.8076 65.2948 174.1649 14 E 4.6261 7.9772 120.9513 55.2634 32.8706 174.0802 15 V 4.3045 8.6549 127.7447 60.2266 32.6977 173.9951 16 D 4.7306 8.5024 127.5802 52.2949 42.9415 173.6370 17 P 4.7302 0.0000 0.0000 61.6554 29.9794 176.2223 18 G 3.7458 8.5013 112.9827 45.9338 0.0000 171.4402 19 R 3.7844 8.0533 128.8811 57.2808 28.1745 175.9937 20 Y 5.1342 7.2935 112.9818 56.8010 42.4563 175.4584 21 N 4.7545 9.0008 120.0111 55.3842 39.7178 177.1118 22 K 4.0728 8.0409 117.0537 58.3069 32.4673 176.7479 23 V 4.5581 7.3274 116.6707 61.6314 34.6360 174.9672 24 C 4.7498 8.5542 119.7384 58.6830 33.1128 173.4211 25 R 4.7846 8.5480 124.2103 55.9374 31.0929 174.6400 26 I 4.6390 9.2388 127.7664 59.2961 40.6627 173.6745 27 E 5.1707 8.9642 129.9018 54.6015 31.7203 174.3290 28 A 5.3043 9.1797 127.9652 50.5694 23.3763 174.1728 29 A 5.1518 8.9825 120.2000 50.2246 23.4754 175.6413 30 S 4.5981 8.3840 113.8701 57.5174 64.0622 173.0000 31 T 4.4512 7.5799 118.4998 62.9445 70.1200 177.1193 32 T 3.4215 8.7687 120.8162 65.0052 67.7280 172.5945 33 Q 4.5523 8.1478 119.4257 58.3003 30.2314 178.8529 34 D 4.0326 7.6598 120.5325 54.3690 42.0959 178.1333 35 Q 4.1364 8.9041 133.7781 57.8212 27.0457 174.3920 36 C 4.8441 8.0609 121.9361 58.7372 34.7175 172.3866 37 K 4.8154 8.2869 120.7769 56.2073 36.7469 174.5977 38 L 4.8368 8.8070 121.7511 54.5678 45.8047 173.8670 39 T 5.0356 8.8847 124.0244 62.0197 70.3421 173.5511 40 L 5.1976 9.0759 128.4702 53.4347 46.2662 174.7292 41 D 5.2137 8.6930 125.0916 53.3872 41.8822 175.8472 42 I 4.5148 8.8298 125.6360 59.5024 40.1747 175.5955 43 N 5.1231 9.3324 126.3065 52.5031 37.0525 175.3624 44 V 4.1438 8.3129 123.6600 64.5888 32.1854 177.9024 45 E 3.9798 7.7248 119.9265 58.5675 29.5986 177.4473 46 L 4.2643 7.8354 116.9727 55.3920 42.6275 175.9991 47 F 4.6156 7.6620 120.5186 55.2035 40.4161 171.5506 48 P 4.4494 0.0000 0.0000 62.1541 31.5177 175.9853 49 V 4.1554 8.3157 122.9823 60.6303 33.3662 174.3681 50 A 4.7334 7.8053 129.3023 49.7114 21.2908 176.0786 51 A 4.0117 8.3336 122.6834 53.4869 19.4105 176.9227 52 Q 3.4477 8.2060 119.7071 57.0852 27.2896 170.9656 53 D 5.2363 7.4664 119.9351 52.4310 46.6204 175.5218 54 S 5.7478 8.4891 112.6353 56.1166 65.6482 173.4579 55 L 5.0320 8.8202 122.6765 53.1183 46.2120 175.0239 56 T 5.1282 8.2696 115.1891 61.9287 71.4613 173.5560 57 V 4.7661 9.1301 126.8714 61.3685 34.2432 174.3511 58 T 4.8918 8.4157 123.4902 61.8080 72.3854 173.1661 59 I 4.9132 8.6702 125.2639 59.3558 41.3105 174.3364 60 A 4.7620 7.5750 125.5055 51.8371 22.0403 176.4128 61 S 4.4375 7.9584 112.6091 57.8605 63.4717 174.7334 62 S 3.9619 8.1194 114.8666 60.3740 63.6928 175.2958 63 L 3.2901 7.7646 116.0708 56.4006 37.4262 174.8664 *74 S 4.1478 8.0737 124.1383 57.7706 63.8223 176.0415 75 A 3.5895 8.1408 119.1952 52.1327 17.8494 178.4335 76 T 4.3943 8.1744 122.2987 60.7871 69.0906 174.8810 77 R 4.2102 8.4256 126.4765 54.9141 30.9698 176.9700 78 S 3.9525 8.7865 116.2969 58.2667 62.9348 173.7782 79 W 4.1659 8.9446 134.6665 57.5737 30.4862 175.3314 80 R 3.7551 8.0037 125.7308 54.6213 30.1569 174.8954 81 P 3.0851 0.0000 0.0000 62.0313 31.4775 173.3274 82 P 3.4767 0.0000 0.0000 62.9141 31.3006 175.2314 83 Q 3.3939 8.2698 118.8069 57.6933 27.7036 174.3411 84 A 4.7034 7.5702 116.2285 51.7182 18.8482 179.4446 85 G 3.7105 8.0029 106.6525 48.0533 0.0000 174.3824 86 D 4.5336 7.4290 117.2647 55.8699 42.1325 176.9177 87 R 4.1000 7.6635 123.6937 55.2122 29.9243 175.8664 88 S 4.2188 8.6157 120.8060 58.6015 63.2258 174.3686 89 L 4.3564 8.3026 123.1237 55.3259 41.6034 176.0358 90 A 4.6487 8.4396 119.3843 51.6211 19.0986 176.3771 91 D 4.9631 7.8192 116.5978 53.0248 41.9451 174.8452 92 D 4.7968 9.0971 122.2705 54.0857 41.2210 175.3642 93 Y 4.5624 7.6865 116.8190 56.2754 39.6408 175.1995 94 D 4.6540 8.9123 124.2621 57.3192 42.0029 175.6603 95 Y 4.8636 8.4313 119.2911 55.7359 41.6918 173.9022 96 V 5.5506 8.5279 125.1060 60.5953 34.7466 173.9980 97 M 4.8425 8.2098 123.5623 53.9034 37.0742 172.9173 98 Y 4.7091 8.5563 120.9477 56.0302 41.8055 174.6274 99 G 4.1757 8.6623 113.5975 44.8174 0.0000 171.2410 100 T 4.9017 8.4074 114.9375 61.4273 72.3198 173.7933 101 A 4.7290 8.5653 126.6917 51.3368 18.7110 176.8991 102 Y 4.6199 7.6415 117.8907 56.0752 40.2590 175.4342 103 K 3.8772 6.1637 119.4436 55.8262 35.4210 172.9601 104 F 5.3348 8.5689 123.2535 55.6868 42.0914 174.0171 105 E 4.6923 8.8762 123.9651 54.1973 31.5753 175.9854 106 E 5.1058 8.4572 127.2351 55.9197 31.0153 175.8634 107 V 3.7964 8.1080 119.3090 63.4591 33.0260 175.8789 108 S 3.2792 9.2078 122.6495 58.9765 62.9324 170.5284 109 K 3.9574 9.1820 124.8811 56.9567 31.7540 173.9132 110 D 5.1370 9.2629 126.7534 53.9615 40.7468 172.8741 111 L 4.9726 6.9542 115.5569 54.6676 45.5778 174.9594 112 I 4.3040 8.0867 116.9647 61.4145 42.3338 174.3645 113 A 5.5241 7.9219 126.2879 50.7986 22.9124 175.7624 114 V 4.5388 8.1523 115.3637 60.1772 34.4185 174.4653 115 Y 4.9235 7.5249 120.6364 56.3343 40.3817 174.4415 116 Y 5.2087 9.1366 121.6107 56.1631 42.3944 174.7355 117 S 4.7335 9.2117 117.7850 56.5781 65.2898 172.9732 118 F 4.7942 8.6206 129.0385 56.8274 37.5705 176.8923 119 G 4.2160 8.2651 115.2131 44.4732 0.0000 171.7626 120 G 3.8183 6.9403 116.2157 45.4276 0.0000 174.3667 121 L 4.3520 7.7804 122.6408 53.9937 42.5351 176.6027 122 L 5.3539 9.0073 123.4789 53.6217 44.8118 175.1774 123 M 5.3191 9.3100 120.3713 54.0567 35.8580 173.6432 124 R 4.8612 9.6942 127.1716 54.3828 32.9188 174.0891 125 L 5.1606 8.3076 127.0498 53.1509 44.9983 174.3993 126 E 4.9389 9.0857 126.2223 54.0851 32.7769 175.8760 127 G 3.9983 7.4318 111.5499 46.3569 0.0000 171.9221 128 N 4.7267 7.8054 112.7170 54.4550 41.9466 176.0092 129 Y 4.3702 8.0035 113.9940 57.5099 37.5143 175.6905 130 R 4.5096 7.5377 118.0496 56.7229 30.6948 178.3189 131 N 4.1148 8.3226 118.1455 55.8765 38.5943 176.1936 132 L 4.6789 7.7444 115.7274 54.7005 41.8991 176.1701 133 N 4.7716 7.7476 112.9514 54.2375 41.2618 174.2619 134 N 4.6788 7.6832 116.7733 52.2307 39.2895 175.5799 135 L 4.5090 8.2252 123.3152 53.3792 43.7117 177.5332 136 K 4.5687 8.5028 119.5205 56.6004 30.8921 176.7737 137 Q 4.7492 7.6380 120.2773 54.1328 31.8442 175.8359 138 E 4.0946 8.8180 122.5077 59.4458 29.7953 177.9691 139 N 4.5049 8.2012 115.4514 53.2603 39.3533 174.2794 140 A 4.2617 7.7113 119.3006 51.8018 22.5155 174.8131 141 Y 4.8557 7.9712 121.6149 57.2299 41.7198 174.6526 142 L 4.3421 7.7497 116.5208 54.9355 46.5674 173.7879 143 L 5.0136 8.5117 126.8470 52.8357 44.6279 175.5947 144 I 5.6747 9.1377 124.5384 58.7428 41.0368 175.0507 145 R 4.9310 8.0082 120.2410 54.5616 33.5441 175.4247 146 R 4.1807 8.7327 116.9267 57.1954 30.3789 176.2313 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 8.30 4.43 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 2 S 7.62 4.13 0.00 3.87 3.74 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 3 N 9.22 4.58 0.00 2.98 2.90 0.00 0.00 6.92 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 4 T 8.00 4.52 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 1.19 0.00 0.00 5 L 8.39 4.76 0.00 1.54 1.72 0.96 0.83 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 6 F 8.52 5.05 0.00 3.07 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 7 D 6.89 4.14 0.00 2.46 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 0.00 0.00 0.00 0.00 8 D 8.40 4.68 0.00 2.92 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 9 I 8.26 5.26 1.85 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 1.39 1.14 0.94 0.00 0.00 10 F 9.28 5.28 0.00 3.00 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 11 Q 9.68 4.98 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 12 V 8.60 4.30 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 0.94 0.00 0.00 1.00 0.00 0.00 13 S 9.25 4.71 0.00 3.86 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 14 E 7.98 4.63 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 15 V 8.65 4.30 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 0.80 0.00 0.00 1.00 0.00 0.00 16 D 8.50 4.73 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.73 0.00 2.01 2.04 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 18 G 8.50 3.75 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 0.00 0.00 0.00 19 R 8.05 3.78 0.00 1.64 1.73 0.00 3.25 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 20 Y 7.29 5.13 0.00 3.05 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 21 N 9.00 4.75 0.00 2.76 2.89 0.00 0.00 7.01 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 22 K 8.04 4.07 0.00 1.77 1.81 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.42 7.81 23 V 7.33 4.56 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 0.80 0.00 0.00 0.82 0.00 0.00 24 C 8.55 4.75 0.00 3.12 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 25 R 8.55 4.78 0.00 2.05 1.86 0.00 3.13 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 26 I 9.24 4.64 1.91 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 1.15 1.43 0.96 0.00 0.00 27 E 8.96 5.17 0.00 2.16 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 28 A 9.18 5.30 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.98 5.15 1.30 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 30 S 8.38 4.60 0.00 3.40 3.62 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 31 T 7.58 4.45 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 32 T 8.77 3.42 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 1.18 0.00 0.00 33 Q 8.15 4.55 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.05 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 34 D 7.66 4.03 0.00 2.78 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 0.00 0.00 0.00 0.00 35 Q 8.90 4.14 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 36 C 8.06 4.84 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.29 4.82 0.00 1.89 1.90 0.00 1.40 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.41 7.81 38 L 8.81 4.84 0.00 1.87 1.83 0.90 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.88 5.04 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 1.31 0.00 0.00 40 L 9.08 5.20 0.00 1.68 1.40 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.69 5.21 0.00 2.92 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 42 I 8.83 4.51 1.98 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.03 1.25 0.00 0.00 43 N 9.33 5.12 0.00 2.72 2.64 0.00 0.00 6.52 7.30 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 44 V 8.31 4.14 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 1.20 0.00 0.00 1.05 0.00 0.00 45 E 7.72 3.98 0.00 1.88 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 0.00 2.31 2.29 0.00 46 L 7.84 4.26 0.00 1.56 1.61 0.77 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.66 4.62 0.00 2.92 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.45 0.00 2.07 1.96 0.00 3.31 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 49 V 8.32 4.16 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 0.90 0.00 0.00 1.16 0.00 0.00 50 A 7.81 4.73 1.15 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 0.00 0.00 0.00 51 A 8.33 4.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.21 3.45 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 53 D 7.47 5.24 0.00 2.77 2.59 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 54 S 8.49 5.75 0.00 3.86 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 55 L 8.82 5.03 0.00 1.67 1.63 0.95 0.89 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 56 T 8.27 5.13 4.43 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 1.39 0.00 0.00 57 V 9.13 4.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.64 0.00 0.00 58 T 8.42 4.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 59 I 8.67 4.91 1.99 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 1.62 1.20 0.90 0.00 0.00 60 A 7.58 4.76 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 61 S 7.96 4.44 0.00 4.04 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 62 S 8.12 3.96 0.00 3.93 3.79 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 63 L 7.76 3.29 0.00 1.71 2.08 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 *74 S 8.07 4.15 0.00 3.87 3.91 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 75 A 8.14 3.59 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 76 T 8.17 4.39 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 1.22 0.00 0.00 77 R 8.43 4.21 0.00 1.83 1.88 0.00 3.27 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 78 S 8.79 3.95 0.00 4.01 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 79 W 8.94 4.17 0.00 3.18 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 80 R 8.00 3.76 0.00 1.53 1.59 0.00 3.21 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 81 P 0.00 3.09 0.00 1.81 1.83 0.00 3.42 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 82 P 0.00 3.48 0.00 2.05 2.03 0.00 3.77 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 83 Q 8.27 3.39 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 84 A 7.57 4.70 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.00 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.43 4.53 0.00 2.68 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 87 R 7.66 4.10 0.00 1.82 1.82 0.00 3.17 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 88 S 8.62 4.22 0.00 4.02 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 89 L 8.30 4.36 0.00 2.08 1.78 0.99 0.64 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 90 A 8.44 4.65 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.82 4.96 0.00 2.91 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 92 D 9.10 4.80 0.00 2.40 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 93 Y 7.69 4.56 0.00 2.93 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 94 D 8.91 4.65 0.00 2.60 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.43 4.86 0.00 2.24 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 96 V 8.53 5.55 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 1.09 0.00 0.00 0.98 0.00 0.00 97 M 8.21 4.84 0.00 1.40 0.90 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.50 0.00 98 Y 8.56 4.71 0.00 2.46 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.66 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 0.00 0.00 0.00 0.00 100 T 8.41 4.90 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 1.28 0.00 0.00 101 A 8.57 4.73 1.12 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 0.00 0.00 102 Y 7.64 4.62 0.00 2.78 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 0.00 103 K 6.16 3.88 0.00 1.62 1.30 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.13 1.22 7.81 104 F 8.57 5.33 0.00 2.90 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 0.00 105 E 8.88 4.69 0.00 2.34 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 2.28 2.34 0.00 106 E 8.46 5.11 0.00 1.94 1.86 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 2.23 2.22 0.00 107 V 8.11 3.80 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 0.82 0.00 0.00 0.95 0.00 0.00 108 S 9.21 3.28 0.00 4.15 3.39 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 0.00 109 K 9.18 3.96 0.00 1.93 2.12 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.60 7.81 110 D 9.26 5.14 0.00 2.82 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 0.00 111 L 6.95 4.97 0.00 1.46 1.64 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.09 4.30 1.76 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.28 0.76 0.00 0.00 113 A 7.92 5.52 1.02 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 0.00 0.00 114 V 8.15 4.54 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 0.67 0.00 0.00 0.91 0.00 0.00 115 Y 7.52 4.92 0.00 2.38 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 0.00 116 Y 9.14 5.21 0.00 2.84 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.21 4.73 0.00 3.55 3.54 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 0.00 118 F 8.62 4.79 0.00 3.12 2.98 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 0.00 119 G 8.27 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 0.00 0.00 0.00 120 G 6.94 3.82 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 0.00 0.00 0.00 121 L 7.78 4.35 0.00 2.00 1.76 1.04 0.38 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 0.00 122 L 9.01 5.35 0.00 1.72 1.75 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.31 5.32 0.00 2.26 2.17 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 2.58 2.66 0.00 124 R 9.69 4.86 0.00 1.92 1.73 0.00 3.18 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.09 0.00 125 L 8.31 5.16 0.00 1.72 1.31 0.99 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 126 E 9.09 4.94 0.00 2.00 1.98 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 2.16 2.17 0.00 127 G 7.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.81 4.73 0.00 2.75 2.79 0.00 0.00 6.70 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 0.00 129 Y 8.00 4.37 0.00 3.13 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 0.00 130 R 7.54 4.51 0.00 1.59 1.84 0.00 2.71 0.00 0.00 2.69 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.00 131 N 8.32 4.11 0.00 2.68 2.83 0.00 0.00 7.00 7.85 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 0.00 132 L 7.74 4.68 0.00 1.62 1.65 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.75 4.77 0.00 2.76 2.86 0.00 0.00 7.11 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.68 4.68 0.00 2.22 2.77 0.00 0.00 7.18 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 0.00 135 L 8.23 4.51 0.00 1.69 1.66 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.50 4.57 0.00 1.83 1.83 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.92 1.67 7.81 137 Q 7.64 4.75 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 138 E 8.82 4.09 0.00 2.08 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 0.00 2.36 2.34 0.00 139 N 8.20 4.50 0.00 2.78 2.91 0.00 0.00 6.69 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.71 4.26 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 0.00 141 Y 7.97 4.86 0.00 2.90 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 0.00 142 L 7.75 4.34 0.00 1.63 1.02 0.81 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.51 5.01 0.00 0.90 0.13 0.86 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.14 5.67 1.37 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.77 0.00 0.00 145 R 8.01 4.93 0.00 1.86 1.86 0.00 3.09 0.00 0.00 2.74 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 146 R 8.73 4.18 0.00 2.01 1.99 0.00 3.27 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 1.57 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.