NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4320 8.3044 118.1952 55.3219 32.5409 174.5188 1 V 4.1804 7.8370 118.7544 61.0974 34.1310 172.9769 2 L 4.2360 8.2696 127.6895 54.1721 43.4342 176.9240 3 S 4.5844 8.6730 117.3395 57.5583 65.5618 175.1208 4 E 4.3311 8.7778 122.0059 59.3568 29.3722 178.8551 5 G 3.6327 8.0951 105.5155 47.6843 0.0000 175.4438 6 E 3.8825 7.9803 120.6001 59.0563 29.4935 179.3244 7 W 4.3422 7.9598 118.9190 60.0558 29.1029 178.5929 8 Q 4.1821 8.4299 117.9834 59.0570 28.1813 178.8428 9 L 4.1163 8.0124 119.9151 57.6550 41.5319 179.7981 10 V 3.8076 7.8684 118.4416 65.9021 31.6103 177.8952 11 L 4.3347 8.7045 118.4735 57.1047 41.3300 178.7440 12 H 4.3200 8.5185 119.2680 59.0453 29.8586 177.4636 13 V 3.7193 7.9360 120.4971 64.1321 31.4373 178.2002 14 W 3.8507 8.6309 129.2077 60.1804 30.2764 177.7744 15 A 3.9994 8.0257 119.8922 54.6002 17.9789 179.5874 16 K 3.9128 7.2226 117.4920 59.4252 32.1467 179.3451 17 V 2.7836 7.0651 118.4608 65.9320 31.0127 177.6041 18 E 3.8881 7.4519 115.0851 57.9400 29.2652 178.4340 19 A 4.2582 7.5007 120.8008 53.5344 19.8639 177.6213 20 D 4.6257 7.8482 116.9624 51.9744 42.4244 175.5501 21 V 3.4483 7.9856 122.9729 65.4135 32.0552 176.8559 22 A 4.0624 7.9770 120.2565 54.9245 18.2629 179.7055 23 G 3.7176 8.1898 105.6027 47.7760 0.0000 175.6421 24 H 4.1018 8.2995 119.2393 58.3571 28.7374 177.9718 25 G 3.6674 8.3340 107.8275 47.8541 0.0000 175.3096 26 Q 3.8558 8.0303 121.9173 58.9617 29.1291 177.8170 27 D 4.3191 7.8593 119.7473 57.6744 40.8622 179.0975 28 I 3.6619 7.7931 119.8225 64.4617 37.0748 178.6203 29 L 3.4790 7.7716 119.6062 57.5833 41.2951 179.5407 30 I 3.6533 7.8235 120.1186 64.4066 36.9903 178.4073 31 R 3.7834 7.9347 119.4361 59.1934 29.8540 178.3487 32 L 3.9136 7.8104 120.2461 58.3131 41.6351 179.0846 33 F 4.8224 7.9164 117.6875 60.1621 38.5395 178.0887 34 K 4.0287 8.1913 118.1111 59.4631 32.0645 179.2220 35 S 4.2626 8.1572 114.3627 60.5309 64.1291 174.8564 36 H 4.6744 8.2811 120.4557 52.1391 29.0060 172.2057 37 P 4.5451 0.0000 0.0000 64.4220 31.3869 177.4957 38 E 4.2174 8.2711 116.6883 59.7029 29.4410 179.0201 39 T 3.7752 8.0805 110.6711 64.5950 68.5494 175.9895 40 L 3.7455 8.0468 122.7130 57.9084 41.7445 178.7299 41 E 4.0758 8.0814 117.7974 58.9841 29.4272 178.8473 42 K 4.3574 8.1827 117.1116 56.9315 32.3857 176.8077 43 F 4.3254 7.9417 119.2400 55.7071 38.6183 176.3115 44 D 4.3714 8.3482 126.2506 56.1417 41.0235 177.9480 45 R 4.1026 7.5741 118.4610 57.5865 30.6614 176.5936 46 F 4.9908 7.3827 115.3699 58.1157 41.1758 178.8436 47 K 4.5755 7.5835 121.2523 59.3303 33.1953 176.4042 48 H 4.3663 8.2076 112.5706 57.2773 28.9099 175.5717 49 L 4.0152 7.2791 121.1305 55.3203 41.7622 176.9590 50 K 4.2517 9.5588 123.4312 57.4764 33.2550 176.8620 51 T 4.6961 7.3066 107.5357 59.1678 73.0603 174.2192 52 E 3.9608 8.5603 119.9541 58.8924 29.4388 178.3224 53 A 3.9740 7.8975 120.8363 55.0013 18.3265 179.1872 54 E 3.9086 7.8202 115.7815 59.8126 29.8333 179.1854 55 M 4.1408 8.1793 118.7112 58.3929 31.8466 179.0212 56 K 4.0261 8.1926 117.0404 58.4269 32.2638 178.1927 57 A 4.6056 7.2917 118.9035 50.9728 19.5421 176.7122 58 S 4.2570 7.5633 114.0050 57.1637 62.7396 174.3586 59 E 3.9358 8.8516 129.3765 59.3042 29.4169 178.1875 60 D 4.4474 8.0944 118.5596 57.4304 40.9987 178.2866 61 L 2.9126 7.6270 120.6787 57.7235 42.0036 179.0010 62 K 3.8899 7.7096 119.6267 59.2345 32.1209 179.0457 63 K 3.9956 8.1567 118.8902 59.7601 31.9255 178.8000 64 H 4.3455 8.5125 118.6874 59.1650 29.7889 177.3431 65 G 3.6642 8.2913 107.6972 47.8890 0.0000 175.7363 66 V 3.6154 7.7347 120.2236 65.9599 31.5592 178.0332 67 T 3.8881 7.8273 115.4165 66.8724 68.3420 176.4203 68 I 3.7310 7.9020 121.5100 64.6561 37.1337 178.6653 69 L 4.2292 8.1640 119.6544 57.9145 41.4970 179.7552 70 T 3.9508 8.4013 116.0260 66.6807 68.3663 176.6022 71 A 4.0336 8.0211 122.6536 55.0238 18.2684 179.4792 72 L 3.7436 8.2364 119.2273 58.0153 42.1385 179.4034 73 G 3.2930 8.4626 105.8078 47.5612 0.0000 175.5626 74 A 4.0690 7.7158 121.9508 54.6832 18.6387 179.5375 75 I 3.8054 7.3156 118.4611 64.4597 37.2122 178.5698 76 L 3.9407 7.8210 120.0164 57.5496 41.1454 179.6589 77 K 3.9469 7.6951 117.5107 58.8983 32.2502 179.2155 78 K 3.8727 7.7992 118.9692 56.7352 32.1947 176.9123 79 K 2.0000 7.9712 117.0382 56.5680 29.3822 175.5305 80 G 4.0896 7.9989 106.7284 46.1091 0.0000 174.4356 81 H 5.0028 7.5436 117.7477 54.2497 27.2217 174.7377 82 H 5.0536 7.1209 112.0487 54.0879 29.6804 176.4845 83 E 3.9140 8.4367 121.3015 60.1429 29.0514 179.2290 84 A 4.0543 7.9315 118.4804 55.2003 18.5758 179.0681 85 E 4.0944 8.1548 116.7344 59.4525 29.5481 179.2524 86 L 4.1501 8.1019 118.9525 57.3949 41.6511 178.9044 87 K 3.9616 7.8316 118.7131 59.1887 31.9947 177.3092 88 P 4.3367 0.0000 0.0000 65.7943 31.2544 178.2649 89 L 4.0311 7.5177 117.2744 58.0323 41.9885 178.7648 90 A 4.2523 8.5173 121.2597 54.9950 18.2707 179.5111 91 Q 3.8891 8.2409 118.5618 59.4611 29.1705 178.6015 92 S 4.0743 8.1547 115.2870 61.5655 63.0464 175.9992 93 H 4.1542 8.6685 119.5480 58.0997 28.3277 177.2075 94 A 2.8330 8.2074 122.0448 53.4891 18.4835 178.6219 95 T 4.0684 7.3981 112.7040 63.9543 70.3009 175.1979 96 K 4.1540 7.4882 119.5019 58.2483 33.4131 176.8857 97 H 4.2713 7.8769 114.5882 56.8135 29.4595 175.1138 98 K 3.1502 7.5082 115.5527 56.6969 27.9287 175.7500 99 I 4.3360 7.9904 119.1953 58.7472 38.6590 174.9721 100 P 4.4773 0.0000 0.0000 62.2126 32.2497 177.1894 101 I 3.5936 8.5977 121.5430 64.7609 36.9293 178.1037 102 K 3.5570 8.0237 119.6007 60.0867 31.7815 178.1081 103 Y 4.0982 7.9282 116.5840 60.9809 37.8647 178.2625 104 L 4.2052 7.9130 119.5366 57.7241 41.7495 179.2691 105 E 4.0287 8.1995 118.7528 59.4092 29.5227 179.2398 106 F 4.5420 7.8832 117.8672 60.8375 38.9062 177.5922 107 I 3.9241 8.1930 118.0571 63.8062 37.7733 178.0726 108 S 4.2206 8.0770 116.2653 61.5940 62.6942 176.1780 109 E 4.0360 8.5112 121.7467 59.2982 29.3957 178.7662 110 A 4.0755 8.0230 120.5687 54.9839 18.3293 179.7407 111 I 3.6942 8.1827 118.7993 64.8110 37.2502 178.7260 112 I 3.8106 7.9731 120.5483 64.5028 36.7870 178.0807 113 H 4.1028 8.4338 119.1523 59.2617 29.7055 177.5171 114 V 3.5330 7.9138 119.9432 65.9698 31.3206 177.7838 115 L 3.7905 7.8870 118.8250 57.9696 41.1048 178.9188 116 H 4.3398 7.9165 116.7676 59.5723 29.8909 177.1426 117 S 4.1827 7.8559 115.4603 61.7705 62.7816 176.6293 118 R 4.0203 8.0106 119.4382 57.6842 31.1011 176.6669 119 H 5.0331 8.1325 115.6002 54.0067 29.3394 173.3332 120 P 4.3188 0.0000 0.0000 65.7507 31.7046 179.1204 121 G 3.6773 8.0935 106.4013 47.2530 0.0000 173.7558 122 N 5.0333 8.1518 115.7261 52.9665 39.0395 174.6707 123 F 5.0339 7.8357 120.1469 56.5912 39.8718 175.3550 124 G 3.8715 7.9442 107.6886 44.3821 0.0000 172.6012 125 A 3.8708 8.3548 120.5495 55.3607 18.3842 179.7637 126 D 4.2289 7.9571 116.7520 57.3686 40.8624 178.7303 127 A 3.9321 7.7518 120.9097 55.0656 18.3723 179.3191 128 Q 3.2120 7.9303 118.6514 58.7411 28.9921 178.7004 129 G 3.4691 7.9487 106.7072 47.6363 0.0000 175.5741 130 A 3.8709 8.0249 123.5744 55.0272 18.3520 179.4001 131 M 4.0378 8.3812 117.0778 58.7230 32.2937 177.9942 132 N 4.3288 8.5733 117.7208 56.5633 39.1028 176.7829 133 K 3.9232 8.1546 120.8488 59.4446 32.2440 178.6259 134 A 3.8846 8.0251 121.0099 54.6887 18.1827 179.4600 135 L 4.1988 8.0886 117.7030 57.5260 41.7654 179.2127 136 E 3.9653 8.6585 119.2160 59.1721 29.3577 178.9717 137 L 3.9434 8.1400 120.4420 58.1855 42.1124 178.6023 138 F 4.2155 8.3482 120.4038 61.7111 39.2040 177.3497 139 R 3.3869 8.2781 117.6832 58.7958 29.9164 179.0277 140 K 3.8323 8.2640 119.7883 59.5695 32.2334 178.7034 141 D 4.3188 8.1502 119.1959 57.3300 40.6609 178.8127 142 I 3.3924 7.6626 120.4070 64.2579 37.0330 178.3444 143 A 3.6401 7.9299 121.5984 54.9847 18.1795 179.5671 144 A 3.9898 7.8281 119.0408 55.1197 18.4031 180.0484 145 K 4.0347 7.9646 117.1993 59.5304 32.1290 179.0831 146 Y 4.4014 8.3192 117.4060 61.1964 37.8402 178.8795 147 K 3.9859 8.1849 119.1434 59.7468 31.9989 179.1944 148 E 4.0306 7.9038 117.0228 59.3434 29.4871 178.8339 149 L 4.2913 7.9112 116.6387 55.3179 42.0210 177.8303 150 G 4.0118 8.0687 107.3585 45.0864 0.0000 173.0356 151 Y 4.7879 7.5154 120.4547 56.1624 40.8827 175.3836 152 Q 4.3497 7.3125 126.6478 56.6071 32.7860 173.6936 153 G 3.3668 8.3920 105.3132 45.1717 0.0000 171.8886 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 0 M 8.30 4.43 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.84 4.18 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 0.84 0.00 0.00 0.95 0.00 0.00 2 L 8.27 4.24 0.00 0.91 0.67 0.57 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.67 4.58 0.00 4.06 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 4 E 8.78 4.33 0.00 2.20 2.06 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 2.43 2.51 0.00 5 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 6 E 7.98 3.88 0.00 1.90 1.70 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 2.21 2.26 0.00 7 W 7.96 4.34 0.00 3.59 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 8 Q 8.43 4.18 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 9 L 8.01 4.12 0.00 1.90 1.76 0.92 0.82 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 10 V 7.87 3.81 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.94 0.00 0.00 11 L 8.70 4.33 0.00 1.82 1.81 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.52 4.32 0.00 3.43 3.52 0.00 5.77 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.94 3.72 2.42 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 1.04 0.00 0.00 0.89 0.00 0.00 14 W 8.63 3.85 0.00 3.64 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 15 A 8.03 4.00 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 16 K 7.22 3.91 0.00 1.44 1.65 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 V 7.07 2.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 18 E 7.45 3.89 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.03 0.00 19 A 7.50 4.26 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 20 D 7.85 4.63 0.00 2.69 2.52 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 0.00 0.00 0.00 0.00 21 V 7.99 3.45 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 1.07 0.00 0.00 0.83 0.00 0.00 22 A 7.98 4.06 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 23 G 8.19 3.72 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 0.00 0.00 0.00 24 H 8.30 4.10 0.00 3.13 3.26 0.00 5.83 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 25 G 8.33 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.03 3.86 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 27 D 7.86 4.32 0.00 2.90 2.66 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 28 I 7.79 3.66 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.90 0.00 0.00 29 L 7.77 3.48 0.00 1.44 1.07 0.86 0.44 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 30 I 7.82 3.65 1.89 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 1.42 0.72 0.89 0.00 0.00 31 R 7.93 3.78 0.00 1.86 2.19 0.00 3.02 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 32 L 7.81 3.91 0.00 1.68 1.46 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.92 4.82 0.00 3.08 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 34 K 8.19 4.03 0.00 1.67 1.84 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.78 7.81 35 S 8.16 4.26 0.00 3.70 3.52 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 0.00 0.00 0.00 0.00 36 H 8.28 4.67 0.00 2.92 2.85 0.00 5.63 0.00 0.00 0.00 0.00 6.83 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 4.55 0.00 2.16 2.12 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 38 E 8.27 4.22 0.00 2.31 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 2.33 2.57 0.00 39 T 8.08 3.78 4.41 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 0.80 0.00 0.00 40 L 8.05 3.75 0.00 1.48 1.76 0.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.08 4.08 0.00 2.28 2.06 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 2.38 2.39 0.00 42 K 8.18 4.36 0.00 1.72 1.64 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.93 7.81 43 F 7.94 4.33 0.00 3.12 2.32 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 44 D 8.35 4.37 0.00 2.57 2.67 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 0.00 0.00 0.00 0.00 45 R 7.57 4.10 0.00 1.50 1.24 0.00 3.20 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 46 F 7.38 4.99 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.58 4.58 0.00 1.93 1.81 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.50 7.81 48 H 8.21 4.37 0.00 3.29 3.48 0.00 5.60 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 49 L 7.28 4.02 0.00 1.56 1.59 0.86 0.53 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 50 K 9.56 4.25 0.00 1.75 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.52 7.81 51 T 7.31 4.70 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 1.20 0.00 0.00 52 E 8.56 3.96 0.00 2.05 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 2.36 2.36 0.00 53 A 7.90 3.97 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 54 E 7.82 3.91 0.00 2.13 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 2.34 2.34 0.00 55 M 8.18 4.14 0.00 2.06 2.29 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 2.72 2.57 0.00 56 K 8.19 4.03 0.00 1.82 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.29 4.61 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 58 S 7.56 4.26 0.00 3.83 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 59 E 8.85 3.94 0.00 2.12 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 2.38 2.46 0.00 60 D 8.09 4.45 0.00 2.96 3.17 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 61 L 7.63 2.91 0.00 0.92 1.48 0.83 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.71 3.89 0.00 1.75 1.88 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.16 4.00 0.00 2.02 1.90 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.71 7.81 64 H 8.51 4.35 0.00 3.73 3.50 0.00 5.80 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 65 G 8.29 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 66 V 7.73 3.62 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 1.13 0.00 0.00 0.96 0.00 0.00 67 T 7.83 3.89 4.37 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 1.27 0.00 0.00 68 I 7.90 3.73 1.91 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 1.65 0.65 0.99 0.00 0.00 69 L 8.16 4.23 0.00 1.77 1.90 0.94 0.84 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 70 T 8.40 3.95 4.29 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 1.25 0.00 0.00 71 A 8.02 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.24 3.74 0.00 1.67 1.74 0.27 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 3.29 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 0.00 74 A 7.72 4.07 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 75 I 7.32 3.81 1.80 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 1.51 0.55 0.81 0.00 0.00 76 L 7.82 3.94 0.00 1.37 1.56 -0.17 0.86 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 77 K 7.70 3.95 0.00 1.79 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.49 7.81 78 K 7.80 3.87 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.74 7.81 79 K 7.97 2.00 0.00 1.36 0.74 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.78 7.81 80 G 8.00 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 0.00 0.00 0.00 81 H 7.54 5.00 0.00 3.25 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.12 5.05 0.00 3.29 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.44 3.91 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 84 A 7.93 4.05 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 E 8.15 4.09 0.00 2.27 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 0.00 2.40 2.47 0.00 86 L 8.10 4.15 0.00 1.96 1.74 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.83 3.96 0.00 1.98 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 P 0.00 4.34 0.00 2.30 2.34 0.00 3.74 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 2.11 2.05 0.00 89 L 7.52 4.03 0.00 1.92 1.92 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.52 4.25 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.24 3.89 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.15 4.07 0.00 3.92 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 93 H 8.67 4.15 0.00 3.65 3.68 0.00 5.80 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 94 A 8.21 2.83 0.90 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 0.00 0.00 95 T 7.40 4.07 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 1.10 0.00 0.00 96 K 7.49 4.15 0.00 1.56 1.67 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.93 1.30 7.81 97 H 7.88 4.27 0.00 3.02 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.51 3.15 0.00 1.78 1.82 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.21 7.81 99 I 7.99 4.34 2.13 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 1.15 0.00 0.00 100 P 0.00 4.48 0.00 1.91 1.95 0.00 3.14 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 0.63 1.44 0.00 101 I 8.60 3.59 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 0.80 0.00 0.00 102 K 8.02 3.56 0.00 1.70 1.63 0.00 1.18 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.00 7.81 103 Y 7.93 4.10 0.00 3.21 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 0.00 104 L 7.91 4.21 0.00 1.80 1.78 0.70 1.15 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 0.00 105 E 8.20 4.03 0.00 2.05 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 2.33 2.43 0.00 106 F 7.88 4.54 0.00 3.15 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.19 3.92 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 1.10 0.00 0.00 108 S 8.08 4.22 0.00 4.27 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 0.00 109 E 8.51 4.04 0.00 2.18 2.30 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 2.39 2.42 0.00 110 A 8.02 4.08 1.44 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 0.00 0.00 111 I 8.18 3.69 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.75 1.05 0.00 0.00 112 I 7.97 3.81 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 1.13 0.00 0.00 113 H 8.43 4.10 0.00 3.40 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.53 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 1.01 0.00 0.00 1.01 0.00 0.00 115 L 7.89 3.79 0.00 1.08 0.25 0.89 0.86 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 0.00 116 H 7.92 4.34 0.00 3.50 3.64 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.18 0.00 3.79 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 0.00 118 R 8.01 4.02 0.00 1.60 1.64 0.00 3.13 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 119 H 8.13 5.03 0.00 3.22 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.32 0.00 2.21 2.26 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.09 3.68 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 0.00 0.00 0.00 122 N 8.15 5.03 0.00 2.83 2.96 0.00 0.00 6.66 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.84 5.03 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 0.00 124 G 7.94 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 0.00 125 A 8.35 3.87 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 0.00 126 D 7.96 4.23 0.00 2.65 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 0.00 127 A 7.75 3.93 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 0.00 128 Q 7.93 3.21 0.00 1.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 129 G 7.95 3.47 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 0.00 0.00 0.00 130 A 8.02 3.87 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 0.00 131 M 8.38 4.04 0.00 2.40 2.41 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.90 0.00 132 N 8.57 4.33 0.00 2.88 2.97 0.00 0.00 6.82 6.48 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 0.00 133 K 8.15 3.92 0.00 1.97 1.71 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.38 7.81 134 A 8.03 3.88 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 0.00 135 L 8.09 4.20 0.00 1.78 1.84 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.66 3.97 0.00 2.13 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 2.35 2.62 0.00 137 L 8.14 3.94 0.00 1.89 2.02 1.04 1.08 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 0.00 138 F 8.35 4.22 0.00 3.05 3.26 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 0.00 139 R 8.28 3.39 0.00 1.81 1.81 0.00 3.14 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.99 0.00 140 K 8.26 3.83 0.00 1.79 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.45 7.81 141 D 8.15 4.32 0.00 2.88 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 0.00 142 I 7.66 3.39 1.26 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.17 0.05 0.00 0.00 143 A 7.93 3.64 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 0.00 144 A 7.83 3.99 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 0.00 145 K 7.96 4.03 0.00 2.06 1.94 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.32 4.40 0.00 3.21 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 0.00 147 K 8.18 3.99 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.63 7.81 148 E 7.90 4.03 0.00 2.17 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 2.36 2.52 0.00 149 L 7.91 4.29 0.00 1.81 1.71 1.00 0.89 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 0.00 150 G 8.07 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 0.00 151 Y 7.52 4.79 0.00 2.52 2.58 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 0.00 152 Q 7.31 4.35 0.00 1.97 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 153 G 8.39 3.37 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 0.00