NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4260 8.3349 116.7934 58.0336 64.2822 173.2227 2 L 4.1138 8.3651 125.4329 52.6656 42.2018 176.3268 3 S 4.4932 9.6538 120.6355 57.7615 66.3164 175.3037 4 S 4.1118 8.4135 117.2824 61.2220 62.5167 176.4492 5 K 3.7848 8.0925 122.0517 59.8310 31.2868 178.0877 6 D 4.3989 8.0900 120.0654 56.7268 40.7127 179.0092 7 K 3.8705 7.9584 118.7200 59.6063 32.0072 179.0184 8 D 4.2894 8.3045 118.9834 57.3262 40.8444 178.7975 9 A 3.9677 7.8671 121.0246 55.0990 18.4166 179.8421 10 V 3.3911 7.9010 116.8011 66.1947 31.6189 178.4059 11 K 3.8946 8.1268 118.1399 59.3752 31.8217 179.2550 12 A 4.0045 8.2636 121.3640 54.7209 18.2598 179.3785 13 L 3.6944 7.7357 118.4561 58.1200 41.9601 179.0409 14 W 3.8218 8.0522 126.9122 60.1352 30.7216 177.7551 15 G 3.7719 8.1845 105.6724 47.9487 0.0000 175.8624 16 K 3.9785 7.7448 120.3024 58.6041 32.3804 178.8384 17 I 3.6897 7.5020 111.4192 61.5345 37.7145 177.3278 18 A 3.7442 7.4937 123.5033 55.6791 17.8808 179.0824 19 D 4.3140 7.7912 115.3323 57.5310 41.1530 178.6568 20 K 4.3848 8.1595 115.7733 56.3544 32.5924 178.5651 21 A 3.8108 8.0478 123.9268 55.1385 18.1522 180.0991 22 E 3.8819 8.0832 116.6220 59.4736 29.5306 178.9291 23 E 3.8806 8.1281 118.6805 59.4472 29.7380 178.6523 24 I 3.8045 7.9835 119.9416 64.3296 37.0549 178.5798 25 G 3.6545 8.2642 106.1983 47.7485 0.0000 175.3785 26 A 3.9805 7.9171 123.7044 55.0675 18.4550 179.5203 27 D 4.3090 8.4801 117.4315 57.4375 40.7888 178.9659 28 A 4.0791 8.2101 121.3908 54.9199 18.3485 179.5070 29 L 4.0161 7.9202 118.9132 58.1108 42.2152 179.0837 30 G 3.8252 8.0749 105.7790 48.1267 0.0000 175.5411 31 R 3.9488 8.4440 121.2471 59.0488 30.1585 178.6444 32 M 4.2325 8.4064 118.1306 58.9424 31.6891 178.2840 33 L 4.0618 8.1776 118.7021 57.7547 41.5797 179.4502 34 A 4.0438 7.8544 119.6020 55.1274 18.5530 179.5697 35 V 3.6349 8.2305 115.9855 64.5947 33.1031 175.9119 36 Y 4.6980 7.9582 116.0591 54.7059 38.1227 174.1383 37 P 4.6274 0.0000 0.0000 64.3141 31.6411 178.1980 38 Q 4.1038 8.3044 117.1910 59.5208 28.3304 178.3036 39 T 4.3775 8.3564 111.2925 63.9388 69.0465 176.7031 40 K 4.0557 8.1373 122.1846 59.7451 31.7593 179.0108 41 T 3.7315 7.7734 108.8454 64.7494 68.7161 175.6482 42 Y 3.8735 7.3265 118.2362 59.2350 38.0106 176.1255 43 F 4.3034 7.7730 119.3663 56.9264 39.9744 176.4731 44 S 4.1852 7.8259 111.2143 59.4519 62.5429 174.5081 45 H 4.4277 7.4581 120.2257 58.5547 28.5342 175.7531 46 W 4.5889 8.3350 121.1522 57.3707 28.5421 177.7281 47 K 4.4284 8.2628 123.9486 59.0413 32.9445 176.0716 48 D 4.8595 7.6733 117.7520 51.9854 43.8853 174.6955 49 L 4.8808 8.5860 124.2788 54.4262 42.8738 176.7493 50 S 4.3565 8.2700 114.6810 57.0500 63.7037 171.9269 51 P 4.4245 0.0000 0.0000 64.1756 31.1246 176.1918 52 G 3.9551 8.8785 111.4890 45.5767 0.0000 174.3216 53 S 4.3286 8.0312 116.3870 57.6516 64.8114 174.9781 54 A 3.8755 8.5503 127.2376 54.9245 18.1088 178.1091 55 P 3.7939 0.0000 0.0000 65.2184 31.3279 179.0000 56 V 2.8906 6.8904 117.0338 65.6182 31.4508 177.8221 57 N 4.2433 8.2052 116.5843 56.3187 38.5089 177.6071 58 K 3.9599 8.0423 119.9889 59.7172 32.1286 178.9798 59 H 4.5009 8.3455 118.4822 58.6914 29.7499 177.5771 60 G 3.6307 8.0971 108.0906 47.6316 0.0000 175.8508 61 K 4.0241 7.9403 120.4292 59.4599 32.0817 179.5575 62 T 3.9045 7.7131 115.4370 66.7010 68.4150 176.6380 63 I 3.7664 8.0666 122.0058 64.9090 37.1103 178.4240 64 M 4.4858 8.2712 119.5351 58.5007 31.6789 179.1377 65 G 3.7867 8.5680 106.1428 47.6210 0.0000 176.0652 66 G 3.6619 8.2209 108.0047 47.7132 0.0000 175.8973 67 L 4.0087 8.2419 121.4246 57.5582 41.5996 179.9863 68 V 3.5042 8.4493 112.8913 64.0878 31.5155 177.6518 69 D 4.3392 8.3915 117.9949 57.7283 40.7476 178.4234 70 A 3.9369 7.8606 119.5903 55.2544 18.3947 179.4040 71 V 3.4426 7.7372 115.5914 66.1384 31.6375 177.8286 72 A 4.1511 7.9976 119.1715 54.3900 18.3411 178.7828 73 S 4.6790 7.5579 112.0972 58.4152 63.4383 176.1769 74 I 3.8565 7.7394 124.1333 63.8465 37.9209 176.8656 75 D 4.5274 7.9818 118.8934 56.7717 41.2361 176.4203 76 D 4.7270 7.9284 118.4636 51.6255 42.5353 175.0565 77 L 3.9695 8.1462 124.0058 57.1737 41.5261 178.2257 78 N 4.2501 8.1192 115.6933 56.3169 38.4585 177.0125 79 A 4.0962 8.1744 121.9102 55.3087 18.3244 179.9898 80 G 3.6262 7.9983 102.5677 46.6561 0.0000 174.9847 81 L 4.6592 7.6681 119.7386 54.2604 42.0937 177.7784 82 L 3.9228 7.6262 123.6450 58.4394 41.9012 179.1093 83 A 3.9963 7.9223 119.8705 55.2944 18.4807 179.5002 84 L 4.0544 7.9065 117.0598 57.7125 41.7210 179.4828 85 S 4.3874 8.3742 114.9485 60.9363 62.2931 175.9036 86 E 4.1436 8.4946 121.5069 59.5289 29.2711 179.1619 87 L 3.9909 8.1420 120.0991 58.7398 42.3323 178.8569 88 H 4.3399 8.6009 115.6389 58.2869 28.4574 177.8495 89 A 2.7462 8.0075 122.9175 54.3821 17.9848 179.0264 90 F 4.3308 8.0209 113.9532 59.4539 40.2207 177.9090 91 T 4.0034 7.8210 113.7724 66.4733 68.6384 175.4496 92 L 4.4207 7.5326 119.6570 54.2144 43.0489 176.5136 93 R 4.9296 7.9382 116.5948 53.7811 30.0894 175.6083 94 V 3.2245 7.6800 116.5291 63.1480 32.2987 174.5944 95 D 4.3058 8.8874 126.7761 53.7402 41.2608 175.0628 96 P 3.5634 0.0000 0.0000 64.1364 31.0098 177.8673 97 A 3.9440 7.6535 119.2997 55.4106 18.3598 178.9781 98 N 4.3282 8.3301 114.8024 55.7026 38.5725 177.5126 99 F 4.3752 7.3247 119.3274 60.6678 39.0926 177.5208 100 K 3.9997 8.0696 118.4801 59.3682 31.9477 178.8508 101 I 3.3473 7.3674 119.8211 64.0076 37.0836 177.8029 102 L 3.9288 7.6286 120.7887 58.1844 41.8420 178.9851 103 S 3.5681 7.7547 114.5663 61.8369 62.8359 176.1175 104 H 4.0775 7.9537 120.3403 59.6935 29.5492 176.9517 105 C 4.2062 8.0539 118.3215 62.8326 27.8360 176.2973 106 I 3.7203 7.8362 121.4060 64.2652 36.6169 178.3241 107 L 4.2065 7.8630 119.9163 57.9507 41.4945 179.7664 108 V 3.4004 8.1812 118.2984 65.9717 31.5502 177.8139 109 Q 3.9289 8.1960 119.2400 59.2745 28.9003 178.2524 110 L 4.3074 8.3133 119.9623 57.7942 41.4551 179.2628 111 A 3.4816 7.7817 120.1051 55.1233 18.2363 179.8785 112 V 3.6218 7.6202 109.8751 63.6384 31.5922 177.7311 113 K 4.1298 7.5093 116.9945 56.3579 34.0506 176.2433 114 F 5.0796 8.5668 117.6777 55.6959 39.8186 174.6210 115 P 4.4196 0.0000 0.0000 65.8649 31.6764 179.1985 116 K 4.1884 8.1345 117.0659 58.9841 32.1132 177.5119 117 D 4.6103 8.4535 117.1902 55.7067 41.5204 176.7330 118 F 4.5862 7.8354 120.4138 56.8484 38.3260 176.2543 119 T 4.2466 7.3600 112.4132 60.8966 71.3181 173.1615 120 P 4.2700 0.0000 0.0000 65.9414 31.2436 178.9261 121 E 3.9344 8.0627 116.9343 59.1151 29.4231 179.4317 122 V 3.1116 7.2211 117.1988 66.0310 31.5279 177.3020 123 H 3.9284 7.9876 118.1132 59.3182 29.5840 176.6129 124 L 3.9256 7.9154 121.7997 58.4230 41.5834 179.2761 125 S 4.3201 7.4051 116.2786 61.3125 62.7275 176.2728 126 Y 4.3719 7.7216 119.4824 61.2481 37.5302 178.2183 127 D 4.6531 8.6941 119.1692 57.3373 41.3792 178.4326 128 K 3.9972 8.2303 119.1870 59.2197 31.9606 178.8549 129 F 4.0700 8.2972 120.9237 61.6603 39.3155 177.3824 130 F 3.9889 8.2931 117.1097 60.3572 38.6334 178.0138 131 S 4.1340 8.5076 115.0838 61.5011 62.6201 176.5072 132 A 3.8836 7.9996 123.4913 54.8838 18.0012 179.7569 133 V 3.1652 7.6635 116.8820 66.0170 31.5928 178.0851 134 A 3.5284 7.7904 120.2737 55.1341 17.9886 179.7224 135 R 3.7759 7.7797 115.1456 59.3557 30.1844 178.8168 136 A 4.3153 7.8614 121.8018 54.6768 18.4668 179.6920 137 L 3.8250 7.8713 117.0047 57.0765 41.5054 178.8264 138 A 4.2724 7.6202 119.7340 53.2674 18.4050 178.9289 139 E 4.0005 7.5330 117.0786 59.2605 29.6742 178.1545 140 K 4.5544 7.9839 114.8098 56.7681 32.3627 177.5044 141 Y 3.8565 8.1696 119.0234 60.7548 38.0106 176.3321 142 R 4.2599 7.8532 119.5785 56.6517 29.0912 174.4664 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 S 8.33 4.43 0.00 3.87 3.86 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 2 L 8.37 4.11 0.00 1.72 1.62 0.99 0.67 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 3 S 9.65 4.49 0.00 4.05 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 4 S 8.41 4.11 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.09 3.78 0.00 1.76 1.80 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.47 7.81 6 D 8.09 4.40 0.00 2.87 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 7 K 7.96 3.87 0.00 1.93 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.67 7.81 8 D 8.30 4.29 0.00 2.84 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 9 A 7.87 3.97 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 10 V 7.90 3.39 1.80 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 -0.32 0.00 0.00 0.79 0.00 0.00 11 K 8.13 3.89 0.00 1.77 1.80 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.47 7.81 12 A 8.26 4.00 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 13 L 7.74 3.69 0.00 1.60 1.74 0.51 0.14 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 14 W 8.05 3.82 0.00 3.42 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 15 G 8.18 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 16 K 7.74 3.98 0.00 1.56 1.71 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 17 I 7.50 3.69 1.44 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.02 -0.01 0.00 0.00 18 A 7.49 3.74 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 19 D 7.79 4.31 0.00 2.69 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.16 4.38 0.00 1.95 1.87 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81 21 A 8.05 3.81 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 22 E 8.08 3.88 0.00 1.97 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 2.38 2.30 0.00 23 E 8.13 3.88 0.00 2.06 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 0.00 2.36 2.46 0.00 24 I 7.98 3.80 1.96 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 1.54 0.62 0.91 0.00 0.00 25 G 8.26 3.65 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 0.00 0.00 0.00 26 A 7.92 3.98 1.37 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 0.00 0.00 0.00 27 D 8.48 4.31 0.00 2.78 2.89 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 28 A 8.21 4.08 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 29 L 7.92 4.02 0.00 1.92 1.90 0.94 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.07 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 0.00 0.00 0.00 31 R 8.44 3.95 0.00 2.04 2.07 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 32 M 8.41 4.23 0.00 2.25 2.14 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 2.66 2.72 0.00 33 L 8.18 4.06 0.00 1.92 1.75 0.98 0.71 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 34 A 7.85 4.04 1.34 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 0.00 0.00 0.00 35 V 8.23 3.63 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 0.24 0.00 0.00 0.96 0.00 0.00 36 Y 7.96 4.70 0.00 3.19 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 37 P 0.00 4.63 0.00 2.28 2.32 0.00 3.88 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 2.08 1.87 0.00 38 Q 8.30 4.10 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.16 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 39 T 8.36 4.38 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 40 K 8.14 4.06 0.00 1.93 1.94 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.52 1.62 7.81 41 T 7.77 3.73 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 1.09 0.00 0.00 42 Y 7.33 3.87 0.00 2.41 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 0.00 0.00 0.00 0.00 43 F 7.77 4.30 0.00 2.49 1.46 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 0.00 44 S 7.83 4.19 0.00 3.89 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 45 H 7.46 4.43 0.00 3.33 3.48 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 8.34 4.59 0.00 3.46 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 4.43 0.00 1.93 1.97 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.57 7.81 48 D 7.67 4.86 0.00 2.55 2.53 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 49 L 8.59 4.88 0.00 1.72 1.74 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.27 4.36 0.00 4.02 4.02 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 51 P 0.00 4.42 0.00 2.05 2.19 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 52 G 8.88 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 53 S 8.03 4.33 0.00 4.06 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 0.00 54 A 8.55 3.88 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 55 P 0.00 3.79 0.00 0.87 1.46 0.00 3.40 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 56 V 6.89 2.89 2.03 0.00 0.00 0.00 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 0.87 0.00 0.00 57 N 8.21 4.24 0.00 2.80 2.79 0.00 0.00 7.05 6.91 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 58 K 8.04 3.96 0.00 1.85 1.81 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 H 8.35 4.50 0.00 3.36 3.31 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.10 3.63 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 61 K 7.94 4.02 0.00 2.00 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.72 7.81 62 T 7.71 3.90 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 63 I 8.07 3.77 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.02 1.04 0.00 0.00 64 M 8.27 4.49 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.93 0.00 65 G 8.57 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 0.00 0.00 0.00 66 G 8.22 3.66 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 0.00 0.00 0.00 67 L 8.24 4.01 0.00 2.21 1.51 1.44 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.45 3.50 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 1.23 0.00 0.00 1.05 0.00 0.00 69 D 8.39 4.34 0.00 2.94 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 70 A 7.86 3.94 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 71 V 7.74 3.44 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 0.63 0.00 0.00 -0.04 0.00 0.00 72 A 8.00 4.15 1.34 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 0.00 0.00 0.00 73 S 7.56 4.68 0.00 3.94 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 74 I 7.74 3.86 2.03 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 0.87 0.00 0.00 75 D 7.98 4.53 0.00 2.69 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 76 D 7.93 4.73 0.00 2.66 2.46 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 0.00 77 L 8.15 3.97 0.00 1.64 1.58 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.12 4.25 0.00 2.86 2.85 0.00 0.00 7.03 7.54 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 79 A 8.17 4.10 1.40 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 0.00 0.00 0.00 80 G 8.00 3.63 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 81 L 7.67 4.66 0.00 1.70 1.58 0.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.63 3.92 0.00 1.89 1.68 0.92 1.11 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 83 A 7.92 4.00 1.34 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 0.00 0.00 0.00 84 L 7.91 4.05 0.00 1.72 1.80 0.95 0.92 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 85 S 8.37 4.39 0.00 4.05 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 0.00 86 E 8.49 4.14 0.00 2.31 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 2.38 2.47 0.00 87 L 8.14 3.99 0.00 1.81 1.93 0.94 1.01 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 88 H 8.60 4.34 0.00 3.60 3.76 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.01 2.75 0.23 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 90 F 8.02 4.33 0.00 2.92 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 91 T 7.82 4.00 4.38 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 1.23 0.00 0.00 92 L 7.53 4.42 0.00 1.65 1.62 0.75 0.85 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 93 R 7.94 4.93 0.00 1.61 1.81 0.00 3.01 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 94 V 7.68 3.22 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 -0.04 0.00 0.00 0.57 0.00 0.00 95 D 8.89 4.31 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.56 0.00 1.96 2.03 0.00 3.42 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 1.18 1.03 0.00 97 A 7.65 3.94 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 98 N 8.33 4.33 0.00 2.35 2.62 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 99 F 7.32 4.38 0.00 3.12 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 0.00 100 K 8.07 4.00 0.00 1.82 1.77 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 101 I 7.37 3.35 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.17 0.16 0.00 0.00 102 L 7.63 3.93 0.00 1.78 1.71 0.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.75 3.57 0.00 4.01 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 0.00 104 H 7.95 4.08 0.00 3.24 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.05 4.21 0.00 3.18 3.15 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 0.00 106 I 7.84 3.72 1.68 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 1.58 0.73 1.10 0.00 0.00 107 L 7.86 4.21 0.00 1.86 1.89 1.20 1.20 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 0.00 108 V 8.18 3.40 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 0.94 0.00 0.00 0.77 0.00 0.00 109 Q 8.20 3.93 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 110 L 8.31 4.31 0.00 2.24 2.13 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.78 3.48 0.55 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 0.00 0.00 112 V 7.62 3.62 2.03 0.00 0.00 0.00 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 0.00 113 K 7.51 4.13 0.00 1.70 1.58 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 1.04 7.81 114 F 8.57 5.08 0.00 3.31 3.19 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 0.00 115 P 0.00 4.42 0.00 2.27 2.34 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 116 K 8.13 4.19 0.00 1.88 2.00 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.53 7.81 117 D 8.45 4.61 0.00 3.02 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 0.00 118 F 7.84 4.59 0.00 3.36 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 0.00 119 T 7.36 4.25 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 0.00 120 P 0.00 4.27 0.00 2.18 2.15 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 121 E 8.06 3.93 0.00 1.96 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 2.36 2.34 0.00 122 V 7.22 3.11 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 0.12 0.00 0.00 0.78 0.00 0.00 123 H 7.99 3.93 0.00 3.45 3.47 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.92 3.93 0.00 1.83 1.76 0.92 0.85 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 0.00 125 S 7.41 4.32 0.00 3.77 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 0.00 126 Y 7.72 4.37 0.00 3.27 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 0.00 127 D 8.69 4.65 0.00 3.12 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.23 4.00 0.00 2.06 1.87 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.68 7.81 129 F 8.30 4.07 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 3.99 0.00 3.23 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 0.00 131 S 8.51 4.13 0.00 4.01 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 0.00 132 A 8.00 3.88 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 0.00 133 V 7.66 3.17 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 0.85 0.00 0.00 -0.10 0.00 0.00 134 A 7.79 3.53 1.34 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 0.00 0.00 0.00 135 R 7.78 3.78 0.00 1.85 1.95 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 136 A 7.86 4.32 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.87 3.83 0.00 0.56 0.86 0.42 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.62 4.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.53 4.00 0.00 2.14 2.10 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 2.35 2.60 0.00 140 K 7.98 4.55 0.00 1.92 2.20 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.53 1.63 7.81 141 Y 8.17 3.86 0.00 3.04 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 0.00 142 R 7.85 4.26 0.00 1.93 1.90 0.00 3.10 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00