NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6174 8.3201 119.3555 57.2042 41.1438 174.7328 2 A 4.0972 8.0818 123.7041 50.5320 18.1530 175.5467 3 K 4.2059 9.2673 123.5664 57.6064 33.9757 174.2237 4 L 4.2739 7.7513 117.1341 54.6887 44.3597 176.1922 5 V 3.9684 8.8758 122.7533 61.8602 30.2603 176.0984 6 R 3.9013 8.3999 125.2977 55.6364 29.8992 175.3710 7 P 4.4982 0.0000 0.0000 61.9639 32.1618 175.1554 8 P 4.3389 0.0000 0.0000 65.2729 31.6537 178.3247 9 V 3.6606 7.4610 116.2010 63.6254 31.7996 176.7127 10 Q 3.7720 7.6217 118.4654 56.0285 27.4134 174.5166 11 I 3.2415 7.9668 110.5893 64.6565 34.1806 173.8552 12 Y 3.9216 10.2323 128.8786 57.0739 34.3424 168.3603 13 G 3.9632 8.9177 115.3859 46.6441 0.0000 172.1009 14 I 3.4500 7.0184 112.2658 62.6320 37.6165 171.5680 15 E 5.2986 9.5380 131.2840 55.6359 26.0676 179.5741 16 G 3.9885 8.8293 115.1069 46.0793 0.0000 173.9147 17 R 4.9787 7.3527 112.5162 54.2124 32.8473 175.5792 18 Y 4.0887 8.2099 114.5932 61.1923 38.0598 176.9751 19 A 3.9238 7.8850 121.0801 54.4029 19.4862 179.0063 20 T 4.1747 7.9590 112.9069 65.8332 68.4916 175.9194 21 A 4.0028 7.4242 122.8969 54.6625 19.2532 178.6712 22 L 4.2501 7.1376 115.0900 55.6476 40.8998 177.9116 23 Y 4.4977 6.8476 116.6343 58.9029 38.0161 176.2855 24 S 4.7244 7.6971 112.7344 58.7891 64.5134 174.7688 25 A 4.1440 8.2238 122.7797 54.7337 18.8531 178.7369 26 A 4.1368 8.1021 118.7138 55.6403 18.5605 180.3027 27 S 4.2779 7.4448 105.4339 58.9334 61.7460 174.4311 28 K 4.3752 8.5283 118.7955 57.2666 32.6536 175.5745 29 Q 4.2689 9.6776 120.3359 55.4137 26.8669 173.8616 30 N 3.9541 7.8242 114.0528 54.1042 36.3288 174.6311 31 K 4.5851 7.4368 113.3190 56.2680 33.6921 178.2700 32 L 4.1020 8.0987 121.2808 58.5251 41.1201 178.8999 33 E 4.0852 8.1359 117.4328 59.1645 29.7524 178.8438 34 Q 4.0383 7.7012 117.7138 58.4863 28.6040 178.7093 35 V 4.0393 7.5350 117.6473 64.0914 32.4625 176.8342 36 E 3.6362 7.7538 118.4144 58.8329 28.9834 178.2189 37 K 4.3248 7.5803 116.2716 57.7267 33.0663 178.2933 38 E 4.0322 7.5578 117.7517 59.6020 29.4291 179.4996 39 L 3.9842 8.2066 119.0567 57.7915 41.4559 179.2074 40 L 3.9362 8.0059 117.3133 58.1469 41.7821 179.3718 41 R 4.0722 7.8073 117.3776 59.5136 30.2907 178.7866 42 V 3.8321 7.9717 118.2225 65.6326 31.2415 177.8328 43 G 3.8928 8.1338 104.7163 46.8012 0.0000 173.6594 44 Q 4.6191 8.0123 117.3600 55.3659 30.7368 177.2509 45 I 3.8445 7.6659 118.1681 63.1681 37.3193 176.6781 46 L 4.5466 7.7892 118.8226 55.0685 43.1069 177.1451 47 K 4.3786 7.2980 116.8537 56.5668 32.1396 176.9119 48 E 4.3456 7.6403 118.9985 55.3414 30.2062 175.7361 49 P 4.7724 0.0000 0.0000 63.2336 30.8242 176.9411 50 K 4.5013 7.5507 117.2058 56.3006 33.5617 177.3461 *52 A 4.2513 8.1151 121.8267 51.8548 20.3174 177.7639 53 A 4.6973 7.7922 118.1088 51.9844 19.0312 177.1975 54 S 4.6802 8.1342 116.4444 60.8807 70.0130 176.2526 55 L 3.9932 8.0664 122.3081 57.5702 42.2208 177.2493 56 L 4.7911 7.6047 114.0418 53.2039 41.6076 177.4622 57 N 5.1915 7.6463 114.8845 51.4464 40.3272 172.6087 58 P 4.6743 0.0000 0.0000 62.8647 31.2062 177.4732 59 Y 4.3790 8.3673 117.2184 59.1267 39.7567 177.5436 60 V 3.8132 8.0432 117.7560 64.1123 32.6938 176.3797 61 K 3.9236 7.8969 119.3765 55.6041 31.0696 176.7820 62 R 4.2089 8.4709 117.2831 57.1412 30.7408 176.8907 63 S 3.9841 8.3421 115.4825 60.1493 62.2265 175.9103 64 V 4.2601 8.4472 118.4322 60.8158 30.6420 174.3693 65 K 4.6007 7.4610 117.1095 56.6972 37.6862 178.2493 66 V 3.8750 7.6831 117.0431 64.9875 31.7906 177.3526 67 K 4.3058 7.9723 115.5690 56.9114 32.1368 177.1148 68 S 4.6942 7.9124 112.4646 58.0641 63.3638 174.1969 69 L 4.7163 7.7541 120.3396 54.9021 41.7253 177.2737 70 S 4.5874 7.8676 112.6270 58.2686 64.0882 174.3255 71 D 4.5835 7.8063 121.6222 55.0263 39.8309 178.0139 *73 T 4.3256 7.2175 109.2242 60.8549 70.9733 175.4045 74 A 3.7904 7.9750 127.0884 54.3276 18.5887 178.7955 75 K 3.3958 7.2814 110.7771 61.0634 33.0405 181.3339 76 E 4.2807 8.2067 119.9909 56.4392 30.2114 178.3084 77 K 4.1510 8.2556 120.7673 58.3683 33.0718 176.8622 78 F 5.5484 7.5860 118.3848 55.2017 37.2864 176.6234 79 S 3.9439 8.2751 120.2595 59.9532 62.5707 171.0966 80 P 4.9467 0.0000 0.0000 63.9608 29.9570 176.9509 81 L 4.7540 8.3951 121.7389 55.5768 41.9312 177.0162 82 T 4.6028 7.6879 108.3531 62.4505 69.7099 173.7116 83 S 4.2975 8.1468 114.2210 59.9220 63.7630 175.1226 84 N 4.5392 7.8393 118.8519 55.2035 39.1008 176.6889 85 L 4.0119 7.9017 119.7244 57.4913 41.5127 179.4798 86 I 3.7535 7.5348 119.6249 64.2535 37.3697 177.6161 87 N 4.2714 7.6929 116.4350 55.5988 38.4450 176.3376 88 L 4.2245 8.0500 122.3393 57.2426 42.5284 178.0755 89 L 3.9912 7.6865 118.7426 57.4813 41.3331 179.8206 90 A 3.9152 8.4310 120.6038 55.2214 18.6626 179.2846 91 E 4.1101 7.6879 116.3483 59.5247 29.4616 180.8602 92 N 4.6337 8.6451 113.2599 53.3005 37.9942 175.4558 93 G 4.1389 8.4652 105.2181 46.8764 0.0000 174.1566 94 R 4.7179 8.0750 112.7242 55.4245 31.9859 178.5286 95 L 4.2022 8.1275 120.3689 58.0660 41.9163 179.5099 96 T 4.2066 7.8743 104.3858 62.6505 68.6501 174.1593 97 N 4.9330 8.2455 119.6857 53.2768 41.2441 176.4396 98 T 3.7893 7.3720 108.9392 64.6050 68.3649 174.0242 99 P 4.1855 0.0000 0.0000 65.6166 31.1602 178.3429 100 A 4.0362 7.9584 118.8643 54.9521 18.1581 179.8822 101 V 3.6743 7.5886 116.6054 66.0322 31.5657 178.3067 102 I 3.8809 8.1060 120.1484 64.3637 37.0452 178.2057 103 S 4.4051 8.4518 114.6133 59.3065 62.5300 175.9339 104 A 4.0144 7.3984 123.5244 55.1065 18.7386 178.6484 105 F 4.8933 8.1365 119.1974 61.4137 39.5086 177.1261 106 S 3.8206 9.0738 110.1311 62.4155 63.6754 174.5457 107 T 4.2651 6.2041 117.1186 62.5897 67.3370 174.9534 *110 S 4.4157 7.7614 116.0974 58.4883 64.8015 175.4783 111 V 4.2920 7.4735 120.6211 63.8415 33.2366 176.8192 112 H 4.2158 8.3044 115.0102 57.6211 29.1197 176.0775 113 R 4.4377 7.3475 121.1074 55.3235 28.9639 175.6563 114 G 4.0493 6.6851 109.1015 44.5664 0.0000 169.4398 115 E 5.1873 7.1613 119.1784 55.0541 31.5761 177.1724 116 V 4.2340 8.0323 118.7363 62.6912 34.5898 171.1574 117 P 4.3496 0.0000 0.0000 63.8325 31.7376 174.6889 118 C 5.0039 8.2413 116.6835 58.4487 31.9501 171.8149 119 T 4.8412 8.1328 110.1568 60.3649 70.7257 173.0871 120 V 4.1901 7.9891 119.3865 62.2867 34.3799 177.2542 121 T 3.1280 9.3194 108.1201 63.5360 67.1667 171.4717 122 T 3.2387 8.4250 119.0261 61.7422 66.6477 170.8538 123 A 4.2046 8.1688 130.6039 51.5631 19.4436 177.3976 124 S 5.1295 8.8535 121.8813 58.5323 66.3956 177.6285 125 A 4.6168 8.2129 126.8377 51.0868 20.3246 176.6779 126 L 3.9235 8.0721 121.1298 55.7081 42.8865 178.6994 127 D 4.9328 8.3065 124.5333 52.7215 41.2447 177.0275 128 E 4.2279 8.0957 118.8271 56.9971 29.0889 176.7693 129 T 4.8049 7.9816 112.9481 60.1098 71.7266 173.5362 130 T 4.5031 8.5183 108.5492 61.9044 70.9503 173.6550 131 L 5.0501 7.6234 122.1826 53.5356 44.0070 175.1537 132 T 4.6057 7.8271 108.6299 62.0523 71.7143 173.3554 133 E 3.9390 8.9245 119.9705 56.2400 27.5450 176.1276 134 L 4.1360 7.7272 119.3943 57.4907 42.2175 178.2806 135 K 4.7313 7.7491 114.0063 55.6481 32.0160 176.2831 136 T 4.4168 7.6524 107.8376 61.5343 70.6022 176.6230 137 V 4.5393 7.3405 120.7372 63.2644 33.6249 177.5527 138 L 4.4638 8.1458 119.5552 57.9013 41.5541 178.7658 139 K 4.5433 8.0308 114.9630 56.5486 32.3203 176.9782 140 S 4.6825 7.7337 112.4548 58.1925 63.4654 175.3655 141 F 4.5556 8.0001 121.3321 59.6467 40.0511 177.9227 142 L 4.0099 8.3175 119.3032 57.7400 41.3199 178.3351 143 S 4.5458 7.9461 110.5552 58.4945 63.8279 175.7484 144 K 4.0770 7.8255 120.9605 58.5789 33.6657 177.5757 145 G 3.5752 7.9199 101.7300 45.9022 0.0000 173.0603 146 Q 3.5728 9.0128 121.1803 55.9996 28.5460 174.9607 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 F 8.32 4.62 0.00 2.99 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.08 4.10 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 3 K 9.27 4.21 0.00 1.78 1.82 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 4 L 7.75 4.27 0.00 1.59 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.88 3.97 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 0.82 0.00 0.00 1.03 0.00 0.00 6 R 8.40 3.90 0.00 1.85 1.92 0.00 3.44 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 7 P 0.00 4.50 0.00 1.95 1.68 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 8 P 0.00 4.34 0.00 1.87 1.96 0.00 3.27 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 9 V 7.46 3.66 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 0.76 0.00 0.00 0.79 0.00 0.00 10 Q 7.62 3.77 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.11 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 11 I 7.97 3.24 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.39 0.80 0.00 0.00 12 Y 10.23 3.92 0.00 3.01 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 13 G 8.92 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 14 I 7.02 3.45 1.89 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 1.41 0.48 0.89 0.00 0.00 15 E 9.54 5.30 0.00 2.44 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 0.00 2.30 2.12 0.00 16 G 8.83 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.35 4.98 0.00 1.81 1.80 0.00 3.11 0.00 0.00 3.84 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 18 Y 8.21 4.09 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.89 3.92 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 20 T 7.96 4.17 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 1.29 0.00 0.00 21 A 7.42 4.00 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 22 L 7.14 4.25 0.00 1.29 1.87 1.08 0.78 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 23 Y 6.85 4.50 0.00 3.00 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 24 S 7.70 4.72 0.00 4.05 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 25 A 8.22 4.14 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 26 A 8.10 4.14 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 27 S 7.44 4.28 0.00 4.18 3.90 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 28 K 8.53 4.38 0.00 1.69 1.72 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 29 Q 9.68 4.27 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.27 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 30 N 7.82 3.95 0.00 2.80 2.95 0.00 0.00 6.97 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 31 K 7.44 4.59 0.00 1.87 1.82 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.58 7.81 32 L 8.10 4.10 0.00 1.74 1.85 0.92 1.04 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 33 E 8.14 4.09 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 34 Q 7.70 4.04 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 35 V 7.54 4.04 1.87 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 0.83 0.00 0.00 0.93 0.00 0.00 36 E 7.75 3.64 0.00 2.15 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 0.00 2.33 2.43 0.00 37 K 7.58 4.32 0.00 1.82 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.42 7.81 38 E 7.56 4.03 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.58 0.00 39 L 8.21 3.98 0.00 1.55 1.65 0.61 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.01 3.94 0.00 1.75 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.81 4.07 0.00 1.91 2.26 0.00 2.79 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 42 V 7.97 3.83 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 0.85 0.00 0.00 0.50 0.00 0.00 43 G 8.13 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 44 Q 8.01 4.62 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 45 I 7.67 3.84 1.89 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.95 0.00 0.00 46 L 7.79 4.55 0.00 1.67 1.66 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.30 4.38 0.00 1.88 1.81 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.40 7.81 48 E 7.64 4.35 0.00 2.00 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 2.32 2.43 0.00 49 P 0.00 4.77 0.00 2.03 2.05 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 50 K 7.55 4.50 0.00 1.82 1.73 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.35 7.81 *52 A 8.12 4.25 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 53 A 7.79 4.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.13 4.68 0.00 3.97 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 55 L 8.07 3.99 0.00 1.61 1.77 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.60 4.79 0.00 1.64 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.65 5.19 0.00 2.69 2.81 0.00 0.00 7.34 7.69 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 58 P 0.00 4.67 0.00 1.86 1.99 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 59 Y 8.37 4.38 0.00 2.90 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 60 V 8.04 3.81 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 61 K 7.90 3.92 0.00 2.03 1.89 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 62 R 8.47 4.21 0.00 1.84 1.94 0.00 3.25 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 63 S 8.34 3.98 0.00 4.04 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 64 V 8.45 4.26 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 0.93 0.00 0.00 65 K 7.46 4.60 0.00 2.01 1.75 0.00 1.90 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81 66 V 7.68 3.88 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 0.96 0.00 0.00 0.97 0.00 0.00 67 K 7.97 4.31 0.00 1.78 1.82 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 68 S 7.91 4.69 0.00 3.95 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 69 L 7.75 4.72 0.00 1.79 1.62 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.87 4.59 0.00 3.99 4.09 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 0.00 0.00 0.00 71 D 7.81 4.58 0.00 2.73 2.71 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 *73 T 7.22 4.33 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 1.18 0.00 0.00 74 A 7.98 3.79 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 75 K 7.28 3.40 0.00 1.98 1.75 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 76 E 8.21 4.28 0.00 2.27 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 2.41 2.40 0.00 77 K 8.26 4.15 0.00 1.15 1.58 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.18 7.81 78 F 7.59 5.55 0.00 3.23 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 0.00 0.00 0.00 79 S 8.28 3.94 0.00 4.00 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 80 P 0.00 4.95 0.00 2.09 1.63 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 81 L 8.40 4.75 0.00 1.64 1.69 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.69 4.60 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 1.36 0.00 0.00 83 S 8.15 4.30 0.00 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.84 4.54 0.00 2.75 2.89 0.00 0.00 7.09 6.74 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 85 L 7.90 4.01 0.00 1.67 1.77 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.53 3.75 1.94 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.81 0.00 0.00 87 N 7.69 4.27 0.00 2.82 2.87 0.00 0.00 6.72 6.40 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 88 L 8.05 4.22 0.00 1.88 1.69 1.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.69 3.99 0.00 1.68 1.68 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.43 3.92 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 91 E 7.69 4.11 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 2.47 0.00 92 N 8.65 4.63 0.00 2.86 2.98 0.00 0.00 7.34 7.52 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 93 G 8.47 4.14 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 0.00 94 R 8.08 4.72 0.00 1.61 1.74 0.00 3.34 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 95 L 8.13 4.20 0.00 1.67 1.67 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.87 4.21 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 1.27 0.00 0.00 97 N 8.25 4.93 0.00 2.78 2.75 0.00 0.00 6.71 6.67 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 98 T 7.37 3.79 4.16 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 1.18 0.00 0.00 99 P 0.00 4.19 0.00 2.17 2.16 0.00 3.56 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 2.11 2.17 0.00 100 A 7.96 4.04 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.59 3.67 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 1.19 0.00 0.00 0.90 0.00 0.00 102 I 8.11 3.88 2.04 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 1.59 0.82 0.93 0.00 0.00 103 S 8.45 4.41 0.00 4.07 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 0.00 104 A 7.40 4.01 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 0.00 105 F 8.14 4.89 0.00 3.23 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 0.00 106 S 9.07 3.82 0.00 4.07 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 0.00 107 T 6.20 4.27 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 *110 S 7.76 4.42 0.00 4.04 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 0.00 111 V 7.47 4.29 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 0.99 0.00 0.00 0.88 0.00 0.00 112 H 8.30 4.22 0.00 3.20 3.34 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.35 4.44 0.00 1.97 1.87 0.00 3.17 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 114 G 6.69 4.05 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 0.00 0.00 0.00 115 E 7.16 5.19 0.00 2.14 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 2.14 2.02 0.00 116 V 8.03 4.23 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 0.71 0.00 0.00 1.02 0.00 0.00 117 P 0.00 4.35 0.00 2.07 2.00 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 118 C 8.24 5.00 0.00 2.90 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 0.00 119 T 8.13 4.84 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 1.30 0.00 0.00 120 V 7.99 4.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 121 T 9.32 3.13 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 1.21 0.00 0.00 122 T 8.42 3.24 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 1.21 0.00 0.00 123 A 8.17 4.20 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 0.00 124 S 8.85 5.13 0.00 3.92 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 0.00 125 A 8.21 4.62 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 0.00 126 L 8.07 3.92 0.00 1.65 1.68 0.93 1.07 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 0.00 127 D 8.31 4.93 0.00 2.59 2.71 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 0.00 128 E 8.10 4.23 0.00 1.96 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 2.33 2.33 0.00 129 T 7.98 4.80 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 1.22 0.00 0.00 130 T 8.52 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 131 L 7.62 5.05 0.00 1.61 1.59 0.92 0.78 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 0.00 132 T 7.83 4.61 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 1.21 0.00 0.00 133 E 8.92 3.94 0.00 2.10 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 2.22 2.26 0.00 134 L 7.73 4.14 0.00 1.66 1.74 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.75 4.73 0.00 1.71 1.75 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.40 7.81 136 T 7.65 4.42 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 1.23 0.00 0.00 137 V 7.34 4.54 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 0.78 0.00 0.00 0.89 0.00 0.00 138 L 8.15 4.46 0.00 1.83 1.80 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.03 4.54 0.00 1.76 1.84 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 140 S 7.73 4.68 0.00 3.81 3.97 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 0.00 141 F 8.00 4.56 0.00 3.47 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.01 0.00 1.68 1.80 0.95 0.87 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 0.00 143 S 7.95 4.55 0.00 4.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.83 4.08 0.00 2.07 2.01 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.45 1.62 7.81 145 G 7.92 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.01 3.57 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 * Residues marked with a * may have inaccurate shift predictions.