NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7404 8.3501 109.7347 44.2482 0.0000 174.1976 2 A 4.0517 7.6070 129.0079 51.4749 16.4929 176.9187 3 L 4.4523 7.5486 116.1721 56.0202 39.4232 172.8028 4 T 4.2531 8.7370 113.4089 60.7184 71.5065 175.3714 5 E 3.9411 8.6330 121.5877 59.3635 29.4055 178.9708 6 S 4.1501 7.9699 114.0460 61.4397 63.3076 176.3309 7 Q 3.9522 8.1011 121.5080 58.6725 28.4646 178.6538 8 A 3.9817 8.2268 121.5475 54.8566 18.2825 179.5572 9 A 4.0405 7.8254 119.7265 55.1763 18.3965 179.9028 10 L 4.0175 7.6404 117.9456 57.9572 41.6544 179.8505 11 V 3.7456 7.7449 119.6095 65.1750 31.3866 178.0758 12 K 4.2412 8.2949 119.5655 59.5072 31.9823 178.6998 13 S 4.1750 8.0518 113.4195 61.6333 62.0077 176.4446 14 S 4.3817 8.4608 116.7537 61.0967 62.7485 176.0965 15 W 4.5666 9.0902 132.6823 60.2529 30.1478 177.9568 16 E 3.4945 8.2529 118.1721 59.0837 29.0445 178.6321 17 E 4.0499 8.0382 118.6075 59.3697 29.4698 179.1572 18 F 4.0308 8.0422 120.5768 61.2882 39.2003 176.5265 19 N 3.9665 7.6410 114.3131 55.3463 38.7329 176.1499 20 A 4.0010 7.0354 120.3164 53.9511 19.8605 177.3004 21 N 4.6651 7.7869 115.9686 50.7877 39.9416 174.3845 22 I 3.2607 7.4965 125.5092 64.4437 37.4784 176.3506 23 P 4.1737 0.0000 0.0000 65.0914 31.1342 178.7247 24 K 3.9336 7.6509 118.2015 59.9392 32.3443 178.6038 25 H 4.3014 8.0021 116.8501 58.8748 28.4637 178.0192 26 T 4.1722 8.1696 112.1880 65.0154 68.7673 176.4196 27 H 4.4194 8.1596 120.9508 58.8563 29.8273 177.3105 28 R 3.8817 8.2783 120.8100 59.1540 29.9447 178.0115 29 F 4.2272 8.5119 120.5855 61.7588 39.4744 177.3056 30 F 3.7758 8.0130 116.5555 60.1731 38.5162 177.9130 31 I 3.7005 7.7679 119.8273 64.2851 36.7837 178.3890 32 L 3.8993 7.9638 119.9682 57.5292 41.2914 179.7393 33 V 3.3704 7.4671 118.1744 66.0819 31.2896 178.2044 34 L 4.1924 7.6434 116.7889 57.3806 41.4890 178.9677 35 E 4.1173 8.1580 118.5311 59.1408 29.4444 178.8292 36 I 4.1867 7.4319 118.7298 62.8663 38.3975 176.4207 37 A 4.5651 8.2810 123.7911 48.8817 20.2046 174.1394 38 P 4.2637 0.0000 0.0000 66.1094 31.0660 177.8715 39 A 4.0956 8.0791 118.3183 54.6045 18.4359 179.0115 40 A 4.1407 8.1202 119.3534 54.4637 18.4565 179.4591 41 K 3.9749 8.0236 118.7225 59.8231 32.0680 178.3845 42 D 4.4956 7.6140 116.2360 56.6497 40.7051 178.2827 43 L 4.0785 7.5980 118.8830 55.5299 41.7554 176.8441 44 F 4.3056 7.4865 118.5349 55.2709 39.1350 176.5433 45 S 3.9551 8.5704 121.7764 61.2399 62.6034 176.0640 46 F 4.5419 7.5716 112.8998 57.4236 38.6529 175.8322 47 L 4.3617 8.1483 122.1778 55.9574 42.6561 176.9506 48 K 4.0544 7.0982 115.2694 58.3648 32.0822 176.6341 49 G 4.0088 9.0239 113.1145 45.5210 0.0000 173.4798 50 T 4.2427 7.2233 108.6782 61.4570 69.7918 173.9899 51 S 4.5159 8.5718 114.9642 58.9340 63.9315 173.6934 52 E 4.6478 7.6893 116.9771 53.8506 31.8678 175.6857 53 V 3.6814 8.2055 120.8398 61.9740 31.4979 174.1975 54 P 4.3636 0.0000 0.0000 63.5898 31.3837 176.1018 55 Q 4.3507 8.5382 118.2978 56.7042 30.1625 175.5652 56 N 5.1384 7.7970 114.1771 52.1161 39.6281 174.5479 57 N 4.8090 7.8097 116.7454 51.3624 41.2904 172.1843 58 P 4.2783 0.0000 0.0000 65.6178 31.5285 178.4903 59 E 3.8145 8.0359 118.2037 59.2240 29.4357 178.5643 60 L 2.7400 7.2420 119.9406 58.0171 41.9868 179.1590 61 Q 4.0040 8.0018 117.6038 58.7819 28.5272 178.4814 62 A 4.0349 8.0157 121.8771 55.6357 18.3177 178.5818 63 H 4.1336 8.4520 116.4098 59.9608 30.0300 177.1478 64 A 4.2687 8.9854 122.5144 55.0622 18.4208 179.8332 65 G 3.8707 8.4336 104.4461 48.1588 0.0000 176.0600 66 K 4.1586 8.0401 121.3300 59.0471 31.9123 179.5443 67 V 3.6082 7.6283 118.6477 66.2965 31.5024 178.2596 68 F 4.0563 8.4366 116.8409 60.0243 38.6357 177.7450 69 K 3.9927 8.4077 119.4956 59.5356 32.1975 178.8683 70 L 3.9568 7.8364 119.1286 57.8035 41.6333 179.7303 71 V 3.5599 7.5560 118.4023 65.9263 31.3532 177.5318 72 Y 3.6480 7.9135 119.4501 60.5535 38.5305 177.8114 73 E 3.0128 7.7577 119.1916 58.7508 29.3578 179.0969 74 A 3.7711 7.5450 120.3991 55.0763 18.3912 179.5348 75 A 3.7257 7.3594 118.7909 55.1286 18.2894 180.0544 76 I 3.4927 7.0284 118.1045 64.4322 37.1234 178.3158 77 Q 3.8255 7.7174 120.4033 59.1114 28.8079 178.3206 78 L 3.9539 7.9477 120.1333 57.8117 41.4064 179.1871 79 E 4.0448 7.8300 118.2704 58.9774 29.6343 178.8161 80 V 3.6889 7.7632 117.7570 65.8919 31.8259 176.8211 81 T 4.1693 8.0320 106.6603 61.2879 69.8143 175.7663 82 G 3.9256 8.6635 109.3707 44.8884 0.0000 172.6856 83 V 4.3759 7.2583 111.1493 59.5037 35.6299 174.7685 84 V 3.9913 7.9863 120.3160 61.0849 31.8632 175.2707 85 V 3.7016 8.1304 128.1608 62.2959 31.4309 175.6109 86 T 3.9982 8.4600 125.3954 63.5616 68.4932 173.2383 87 D 5.0952 8.2021 127.5213 51.0141 42.5582 175.9755 88 A 4.0012 8.6639 119.1941 56.1761 18.0780 179.9861 89 T 3.8258 7.8133 113.4976 66.8764 68.6313 176.8166 90 L 4.0317 8.0494 120.3785 57.5813 41.1973 179.6773 91 K 4.1264 8.1493 118.6578 59.5314 31.9993 178.8885 92 N 4.3912 8.4796 117.3881 56.3128 38.9606 176.9865 93 L 4.1383 8.2515 120.9695 57.7589 41.6089 179.5263 94 G 3.7828 8.2116 105.6449 47.8578 0.0000 175.6612 95 S 4.1371 7.7642 115.0885 61.2829 62.4012 176.7615 96 V 3.7000 7.9206 121.7228 64.9049 31.0503 178.0596 97 H 4.1577 8.0970 116.7947 58.7464 28.5108 177.8307 98 V 3.6372 7.6478 120.1631 66.2002 31.1571 178.2350 99 S 4.1407 7.9716 113.7494 60.9133 62.6882 175.8195 100 K 4.3762 7.6084 118.8195 55.5000 32.0973 176.9027 101 G 3.7948 7.9969 107.4523 46.2010 0.0000 173.8467 102 V 3.7526 7.6965 119.1537 61.6797 32.3653 175.1665 103 A 4.9754 8.6600 128.4593 49.8969 22.2342 176.4297 104 D 4.6763 8.8924 118.6489 57.7547 40.9081 179.1670 105 A 4.3244 7.9538 119.5689 54.2515 19.1688 178.6361 106 H 4.4100 8.4398 113.9791 58.5171 28.5494 177.4829 107 F 4.1689 8.3331 119.8007 60.4727 38.8160 176.0467 108 P 4.3673 0.0000 0.0000 64.9400 31.0937 178.8698 109 V 3.5054 7.5980 117.3420 66.1462 31.4912 178.3069 110 V 3.6434 7.7108 117.4261 65.4324 31.3469 177.7604 111 K 2.7420 8.0058 119.7130 59.2949 31.9516 178.7465 112 E 3.9040 8.0653 118.5519 59.1225 29.3218 179.2288 113 A 3.9418 7.7599 120.5470 55.1985 18.4245 179.8285 114 I 3.7974 8.0733 118.7239 64.4573 37.0900 178.7191 115 L 3.9648 8.1441 120.2828 57.7158 41.4333 179.7662 116 K 3.9412 8.3256 118.7294 59.4288 31.9510 179.6327 117 T 3.8696 7.9109 116.0690 66.9190 68.4348 176.8880 118 I 3.7140 8.1881 121.8358 63.9812 36.7629 178.4919 119 K 4.0202 8.2165 120.9212 59.3340 31.7175 178.8452 120 E 3.9349 7.8416 118.3608 59.0458 29.4575 179.1108 121 V 3.6467 7.8676 117.8284 66.0671 31.6988 178.0852 122 V 4.2224 7.9122 112.6026 59.1548 32.0423 178.4987 123 G 3.8621 8.4291 107.1908 46.4326 0.0000 176.6392 124 A 4.2559 8.9555 127.8475 53.6366 18.1966 178.7858 125 K 4.3806 7.6437 114.0166 55.9394 32.5053 177.0735 126 W 4.2490 8.1088 130.7495 57.3956 31.2971 175.6080 127 S 4.5565 7.3879 118.7352 55.5882 67.0817 174.9815 128 E 3.4913 8.2282 121.2376 59.3479 29.2127 178.9942 129 E 3.8861 7.9654 120.1835 58.5574 29.5354 178.6114 130 L 3.9874 7.6818 120.2237 57.8970 42.2267 178.3451 131 N 4.4553 7.6618 117.3461 56.6012 38.8897 176.9877 132 S 4.1153 8.2778 115.7373 61.3879 63.0783 176.2886 133 A 4.0470 7.8455 124.5871 54.7628 18.2064 179.7863 134 W 4.1116 8.5054 117.2821 59.8643 29.0412 179.1677 135 T 4.0543 8.1291 115.9458 66.6490 67.8872 176.7239 136 I 3.6998 7.8281 121.4505 64.5584 37.1800 178.3717 137 A 3.8830 8.0753 121.4042 55.1391 18.1036 179.1677 138 Y 3.9022 8.2944 118.0091 60.9305 39.0005 177.4964 139 D 4.4874 8.3915 119.8547 57.7461 40.6712 178.9194 140 E 3.9192 8.3928 119.0178 59.3409 29.4305 179.2663 141 L 3.9177 8.0439 120.2052 57.8093 42.0596 178.8404 142 A 3.7204 8.1620 121.3527 54.6545 18.1102 179.5286 143 I 3.4734 7.4444 118.3653 64.4924 37.1785 178.7717 144 V 3.5019 7.1622 117.5546 66.1401 31.3405 178.2442 145 I 3.7449 7.5799 119.5606 64.2223 37.0205 178.6231 146 K 3.7389 7.8585 119.4820 58.8747 31.6703 179.3344 147 K 3.8524 7.5498 120.1514 59.6869 32.1929 178.8645 148 E 4.0562 8.0171 118.4555 59.2627 29.0260 179.4100 149 M 4.2515 8.0081 118.6237 58.5112 32.2702 178.0156 150 D 4.5128 7.9388 118.5581 57.5550 40.7732 178.5939 151 D 4.4006 7.8954 117.4770 56.3328 40.9170 177.5495 152 A 4.3945 7.6375 119.0973 52.1553 19.1786 176.9350 153 A 4.1680 7.5794 125.9694 52.2366 18.7503 177.4493 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 G 8.35 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 0.00 0.00 0.00 2 A 7.61 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.55 4.45 0.00 1.65 1.98 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.74 4.25 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 1.24 0.00 0.00 5 E 8.63 3.94 0.00 2.04 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 2.37 2.36 0.00 6 S 7.97 4.15 0.00 4.08 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 7 Q 8.10 3.95 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 8 A 8.23 3.98 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 9 A 7.83 4.04 1.41 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 0.00 0.00 0.00 0.00 0.00 10 L 7.64 4.02 0.00 1.90 1.78 0.90 0.77 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 11 V 7.74 3.75 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 0.71 0.00 0.00 0.54 0.00 0.00 12 K 8.29 4.24 0.00 2.11 1.93 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.72 1.79 7.81 13 S 8.05 4.17 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 14 S 8.46 4.38 0.00 4.46 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 0.00 15 W 9.09 4.57 0.00 3.60 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.25 3.49 0.00 2.16 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 2.68 0.00 17 E 8.04 4.05 0.00 2.25 2.02 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 2.34 2.56 0.00 18 F 8.04 4.03 0.00 2.95 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 19 N 7.64 3.97 0.00 1.56 2.20 0.00 0.00 7.25 7.48 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 20 A 7.04 4.00 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 21 N 7.79 4.67 0.00 2.43 1.99 0.00 0.00 6.99 7.75 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 22 I 7.50 3.26 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.85 0.00 0.00 23 P 0.00 4.17 0.00 2.07 2.21 0.00 3.42 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 24 K 7.65 3.93 0.00 1.66 1.61 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 25 H 8.00 4.30 0.00 2.24 3.08 0.00 5.67 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 26 T 8.17 4.17 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 H 8.16 4.42 0.00 3.36 3.63 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.28 3.88 0.00 2.14 2.21 0.00 3.22 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 29 F 8.51 4.23 0.00 3.47 3.44 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 30 F 8.01 3.78 0.00 3.14 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 31 I 7.77 3.70 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.88 0.00 0.00 32 L 7.96 3.90 0.00 1.73 1.63 0.99 0.63 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 33 V 7.47 3.37 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 1.10 0.00 0.00 0.05 0.00 0.00 34 L 7.64 4.19 0.00 1.89 1.71 1.01 1.01 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 35 E 8.16 4.12 0.00 2.05 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 2.32 2.57 0.00 36 I 7.43 4.19 1.82 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 1.42 0.54 0.89 0.00 0.00 37 A 8.28 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 38 P 0.00 4.26 0.00 2.17 2.14 0.00 3.61 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 2.18 0.00 39 A 8.08 4.10 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 40 A 8.12 4.14 1.53 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 0.00 0.00 41 K 8.02 3.97 0.00 1.97 1.88 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 42 D 7.61 4.50 0.00 2.69 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 43 L 7.60 4.08 0.00 1.11 1.07 0.59 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.49 4.31 0.00 2.57 1.50 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 45 S 8.57 3.96 0.00 4.03 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 46 F 7.57 4.54 0.00 3.02 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 47 L 8.15 4.36 0.00 1.89 1.69 0.58 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.10 4.05 0.00 1.90 1.76 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 49 G 9.02 4.01 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 0.00 0.00 0.00 50 T 7.22 4.24 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 1.28 0.00 0.00 51 S 8.57 4.52 0.00 3.83 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 52 E 7.69 4.65 0.00 1.98 1.85 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 2.22 2.26 0.00 53 V 8.21 3.68 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 0.83 0.00 0.00 0.92 0.00 0.00 54 P 0.00 4.36 0.00 2.21 2.07 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 55 Q 8.54 4.35 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.53 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 56 N 7.80 5.14 0.00 2.60 2.71 0.00 0.00 6.73 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 57 N 7.81 4.81 0.00 2.69 2.54 0.00 0.00 6.81 7.71 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 58 P 0.00 4.28 0.00 2.27 2.26 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 59 E 8.04 3.81 0.00 2.17 1.83 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 2.43 2.38 0.00 60 L 7.24 2.74 0.00 0.94 1.55 0.73 1.06 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 61 Q 8.00 4.00 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 62 A 8.02 4.03 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 0.00 0.00 63 H 8.45 4.13 0.00 3.51 3.63 0.00 5.79 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 64 A 8.99 4.27 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 65 G 8.43 3.87 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 0.00 0.00 0.00 66 K 8.04 4.16 0.00 2.05 1.96 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.71 7.81 67 V 7.63 3.61 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 0.81 0.00 0.00 1.06 0.00 0.00 68 F 8.44 4.06 0.00 2.98 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 69 K 8.41 3.99 0.00 2.35 1.96 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.76 7.81 70 L 7.84 3.96 0.00 1.88 1.67 0.98 1.26 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 71 V 7.56 3.56 2.16 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 1.23 0.00 0.00 0.96 0.00 0.00 72 Y 7.91 3.65 0.00 2.63 2.48 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 0.00 73 E 7.76 3.01 0.00 1.93 1.68 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 1.94 2.20 0.00 74 A 7.55 3.77 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 75 A 7.36 3.73 1.03 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 0.00 0.00 76 I 7.03 3.49 1.60 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.29 0.77 0.00 0.00 77 Q 7.72 3.83 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 78 L 7.95 3.95 0.00 1.81 1.62 0.86 0.67 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 79 E 7.83 4.04 0.00 1.91 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 2.41 2.57 0.00 80 V 7.76 3.69 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 0.87 0.00 0.00 0.92 0.00 0.00 81 T 8.03 4.17 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 1.15 0.00 0.00 82 G 8.66 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 0.00 0.00 0.00 83 V 7.26 4.38 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 0.66 0.00 0.00 0.88 0.00 0.00 84 V 7.99 3.99 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 0.69 0.00 0.00 0.83 0.00 0.00 85 V 8.13 3.70 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 0.81 0.00 0.00 0.87 0.00 0.00 86 T 8.46 4.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 87 D 8.20 5.10 0.00 2.77 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 88 A 8.66 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 89 T 7.81 3.83 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 90 L 8.05 4.03 0.00 1.69 1.70 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.15 4.13 0.00 2.05 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.60 7.81 92 N 8.48 4.39 0.00 2.85 2.82 0.00 0.00 7.22 6.20 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 93 L 8.25 4.14 0.00 2.00 1.84 0.99 0.74 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 94 G 8.21 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 95 S 7.76 4.14 0.00 3.93 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.92 3.70 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 0.92 0.00 0.00 0.91 0.00 0.00 97 H 8.10 4.16 0.00 3.55 3.47 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.65 3.64 2.28 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 1.12 0.00 0.00 1.07 0.00 0.00 99 S 7.97 4.14 0.00 4.03 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 0.00 100 K 7.61 4.38 0.00 1.72 1.67 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.51 7.81 101 G 8.00 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 0.00 102 V 7.70 3.75 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 0.71 0.00 0.00 0.81 0.00 0.00 103 A 8.66 4.98 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 0.00 104 D 8.89 4.68 0.00 2.81 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 0.00 105 A 7.95 4.32 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 0.00 106 H 8.44 4.41 0.00 3.34 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.33 4.17 0.00 3.39 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 0.00 108 P 0.00 4.37 0.00 2.20 2.15 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 109 V 7.60 3.51 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 0.98 0.00 0.00 0.97 0.00 0.00 110 V 7.71 3.64 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 1.34 0.00 0.00 0.97 0.00 0.00 111 K 8.01 2.74 0.00 1.41 1.76 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.03 7.81 112 E 8.07 3.90 0.00 1.99 1.94 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 2.49 2.45 0.00 113 A 7.76 3.94 1.23 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 0.00 114 I 8.07 3.80 1.71 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.66 0.58 0.00 0.00 115 L 8.14 3.96 0.00 1.64 1.76 0.97 1.03 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 0.00 116 K 8.33 3.94 0.00 1.82 1.80 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.59 7.81 117 T 7.91 3.87 4.62 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 1.32 0.00 0.00 118 I 8.19 3.71 1.48 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.36 0.65 0.00 0.00 119 K 8.22 4.02 0.00 1.74 1.73 0.00 1.21 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.98 0.26 7.81 120 E 7.84 3.93 0.00 2.11 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 0.00 2.29 2.49 0.00 121 V 7.87 3.65 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 0.84 0.00 0.00 0.72 0.00 0.00 122 V 7.91 4.22 2.21 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 1.11 0.00 0.00 1.24 0.00 0.00 123 G 8.43 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 0.00 0.00 0.00 124 A 8.96 4.26 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 0.00 125 K 7.64 4.38 0.00 1.96 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.42 7.81 126 W 8.11 4.25 0.00 3.49 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 0.00 127 S 7.39 4.56 0.00 3.88 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 0.00 128 E 8.23 3.49 0.00 1.93 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 2.38 2.32 0.00 129 E 7.97 3.89 0.00 2.00 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 0.00 2.35 2.26 0.00 130 L 7.68 3.99 0.00 1.72 1.48 1.22 0.51 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 0.00 131 N 7.66 4.46 0.00 2.52 2.79 0.00 0.00 6.97 7.28 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 0.00 132 S 8.28 4.12 0.00 4.07 4.17 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 0.00 0.00 0.00 0.00 133 A 7.85 4.05 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 0.00 134 W 8.51 4.11 0.00 3.50 3.42 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 0.00 135 T 8.13 4.05 4.53 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 1.34 0.00 0.00 136 I 7.83 3.70 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 0.89 0.00 0.00 137 A 8.08 3.88 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 0.00 138 Y 8.29 3.90 0.00 3.18 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 0.00 139 D 8.39 4.49 0.00 3.03 2.76 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 0.00 140 E 8.39 3.92 0.00 1.89 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 2.54 2.41 0.00 141 L 8.04 3.92 0.00 1.68 1.55 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.16 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.44 3.47 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.18 0.84 0.00 0.00 144 V 7.16 3.50 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 0.97 0.00 0.00 0.92 0.00 0.00 145 I 7.58 3.74 1.76 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.48 1.03 0.00 0.00 146 K 7.86 3.74 0.00 1.60 1.60 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.06 0.21 7.81 147 K 7.55 3.85 0.00 1.84 1.93 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 148 E 8.02 4.06 0.00 2.17 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 2.55 2.48 0.00 149 M 8.01 4.25 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.86 0.00 150 D 7.94 4.51 0.00 2.92 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 0.00 151 D 7.90 4.40 0.00 2.72 2.73 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 0.00 0.00 0.00 0.00 152 A 7.64 4.39 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 0.00 153 A 7.58 4.17 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