NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1512 8.1727 122.0496 56.2901 34.0946 174.0569 2 V 4.5303 8.1677 127.2836 60.6483 32.2562 174.4439 3 F 4.2762 9.9588 128.9480 57.5791 40.1754 174.8585 4 E 4.2686 8.7328 121.2660 55.5586 30.9638 176.9002 5 R 3.2766 8.9570 122.0015 60.6928 29.9704 179.5227 6 C 4.3389 8.0189 115.2801 59.6691 36.5220 175.7232 7 E 3.8936 8.0962 120.7790 59.1925 29.2379 178.4712 8 L 3.5785 8.0361 120.1501 57.7924 42.1520 178.6128 9 A 3.9396 7.8127 120.7521 55.4466 18.3429 179.9027 10 R 3.8995 7.9916 116.4247 59.5330 30.0938 179.4910 11 T 3.8254 7.8398 115.5378 66.6928 68.4771 176.7011 12 L 3.8586 8.0768 121.2041 57.5403 41.5959 179.5519 13 K 3.9116 7.9515 119.4221 59.5393 31.9495 178.9350 14 R 3.9526 7.7503 117.8467 58.9845 30.0623 177.5412 15 L 4.3133 7.5410 116.2932 54.1583 41.8920 176.7563 16 G 3.8249 7.8748 106.9484 47.0346 0.0000 175.1021 17 M 3.8692 7.8189 121.1135 56.4438 32.4401 175.7657 18 D 4.3242 7.9898 117.4967 56.4446 40.9279 175.6762 19 G 3.9574 9.4608 115.8270 45.0926 0.0000 171.5546 20 F 4.3164 8.4897 123.1831 59.2453 39.5105 175.3577 21 R 3.5407 8.8944 127.4953 57.2397 27.4906 177.2531 22 G 3.8214 8.1676 103.3544 45.6796 0.0000 174.0254 23 I 4.1033 7.6898 122.1772 59.1395 38.1418 175.9213 24 S 4.6149 8.3369 120.2508 57.7126 63.9792 174.8939 25 L 4.2370 8.8899 123.3334 58.6063 41.7876 179.3352 26 A 4.1559 8.1959 120.0495 55.2446 18.2086 179.2432 27 N 4.4537 8.1378 115.1646 56.2320 38.6680 177.6902 28 W 4.2036 8.0010 119.9229 59.9149 29.2041 178.3600 29 M 4.1913 8.4554 118.7994 58.6376 31.5958 177.9320 30 C 3.1960 8.0258 118.5552 59.0630 43.3647 175.3659 31 L 3.9546 8.1702 121.7197 58.2626 41.7528 178.7540 32 A 4.1238 8.2707 120.7065 54.9684 18.3669 179.4371 33 K 2.7761 7.9964 117.9475 59.3295 32.0516 179.0925 34 W 4.2281 7.5467 116.7663 58.9840 29.0760 178.3396 35 E 4.3385 8.3924 118.8976 58.5383 29.4586 177.6471 36 S 4.5198 8.0162 109.8145 56.4951 64.5391 174.6002 37 G 3.2808 7.9817 108.7074 46.8559 0.0000 173.3032 38 Y 3.6498 7.6352 113.5458 58.6030 34.9307 168.5352 39 N 5.2975 7.6117 118.1285 52.0040 40.0265 175.7521 40 T 4.1029 9.0009 117.5850 63.8752 69.1910 175.9251 41 R 4.4476 8.0651 117.0301 55.6349 30.0238 176.1444 42 A 4.3065 7.7239 122.0940 52.7711 19.1804 177.1253 43 T 4.9844 8.4377 111.7020 60.0068 72.5005 173.4539 44 N 4.7845 8.6939 121.9983 52.5210 41.9058 172.6129 45 Y 4.5091 8.7507 128.5983 57.6452 40.6185 174.0561 46 N 4.7643 8.3381 124.8301 50.9441 38.3554 175.0323 47 A 3.7610 8.3483 126.9583 54.8614 18.8774 179.3945 48 G 3.7594 8.0489 104.0331 48.1364 0.0000 173.7598 49 D 4.6783 7.3432 114.6370 51.9884 40.4273 175.6460 50 R 3.9119 8.1416 116.3751 57.0090 28.1101 175.8541 51 S 4.9235 7.5072 112.8695 57.1671 66.2792 172.8409 52 T 5.0494 8.7222 115.8756 61.9508 72.7866 172.8123 53 D 5.4382 8.9102 125.2108 53.2987 43.1515 175.0731 54 Y 4.9639 9.0305 120.8411 57.4013 41.5920 177.4819 55 G 4.3726 9.0538 112.3263 45.7892 0.0000 173.3743 56 I 3.8806 8.2887 116.8906 63.0043 37.8127 177.3892 57 F 4.6774 7.9229 115.3179 56.5150 39.9140 175.1754 58 Q 3.6461 7.9470 119.2405 57.1232 26.5149 174.1740 59 I 4.3763 8.1689 119.0368 61.1314 39.1762 176.9552 60 N 5.3114 9.2231 126.2763 53.4819 39.6551 175.7890 61 S 4.6493 9.0658 120.7165 60.4098 63.3437 175.5196 62 R 3.7304 8.8818 122.3719 58.6700 30.3483 177.8066 63 Y 4.1949 7.6608 114.5746 58.0757 40.6530 177.2634 64 W 4.6930 8.0537 119.0933 57.8029 30.4119 173.7219 65 C 5.5765 7.8998 110.6531 53.4700 45.6927 171.8647 66 N 4.7647 8.9606 119.9099 52.2158 39.7141 174.8644 67 D 4.8113 8.5662 123.1651 52.2983 40.5298 177.8551 68 G 4.1109 8.4781 110.0944 45.8751 0.0000 174.7679 69 K 4.3798 7.8737 115.6394 56.7098 33.1794 176.0916 70 T 4.3881 7.7783 117.3545 61.6838 69.2134 172.8796 71 P 4.2462 0.0000 0.0000 63.8688 31.9929 176.4138 72 G 3.9162 8.5019 110.1494 46.5143 0.0000 172.6302 73 A 4.6804 7.7123 118.1958 50.3084 21.3327 177.5549 74 V 4.3043 8.3296 112.6755 59.3446 35.4346 175.9317 75 N 4.9591 8.1259 118.3136 51.7471 37.7245 174.1608 76 A 4.0345 9.0112 124.2048 54.6719 19.1712 178.5300 77 C 4.4265 8.7545 110.9663 56.5697 40.8773 173.7647 78 H 4.0555 7.7208 115.5126 56.6678 26.3683 174.1293 79 L 4.8372 8.3333 117.3777 52.9161 46.3741 176.4410 80 S 4.7073 8.3477 115.1883 57.8538 63.3217 176.0156 81 C 4.0399 8.6291 124.5736 59.6846 40.7896 176.3611 82 S 3.9129 7.6268 114.5021 61.2762 61.6466 175.9448 83 A 4.0762 7.8579 122.6467 54.5831 17.9586 177.9819 84 L 4.4285 7.7254 116.0849 55.1739 41.7494 177.6581 85 L 4.9933 7.8195 117.3071 54.5567 42.2733 176.6800 86 Q 4.3924 7.7678 117.8351 55.2955 29.6333 175.9039 87 D 4.4086 8.5095 119.5581 57.0670 41.1466 176.7810 88 N 4.5804 8.0402 118.2239 53.1388 39.1205 174.6397 89 I 4.2092 8.4698 118.9681 61.0866 37.9687 176.9432 90 A 3.9359 8.3280 124.8556 56.0874 18.1425 180.1062 91 D 4.3095 8.0801 116.3929 57.3333 40.9216 178.6945 92 A 4.1090 7.9655 120.9724 55.1365 18.4691 179.7377 93 V 3.3960 8.1624 116.8626 66.0202 31.6368 178.2159 94 A 3.8499 7.9522 120.6020 55.0570 18.0611 178.8260 95 C 4.2470 8.2566 117.0807 59.6004 38.4406 175.5814 96 A 3.8784 8.1150 122.6213 55.0331 17.6131 179.7381 97 K 3.6858 7.5408 116.1208 59.3317 32.3271 179.2354 98 R 4.0715 7.6416 118.5086 59.3464 30.1779 178.4714 99 V 2.2036 7.4678 118.1425 65.8324 30.9469 178.0250 100 V 3.8993 7.6733 109.6614 62.6173 31.2888 177.6588 101 R 4.1288 7.7156 118.1264 57.1120 30.5777 175.8634 102 D 4.7643 7.4109 118.4820 52.9823 42.0040 175.2785 103 P 4.2214 0.0000 0.0000 66.3643 31.1255 177.7720 104 Q 4.0112 8.1540 117.3549 56.5547 30.0746 177.0803 105 G 3.7046 8.0270 107.0264 46.9238 0.0000 176.3610 106 I 3.5663 7.7897 120.6311 63.5063 37.9343 177.9274 107 R 4.2025 7.2227 117.8278 57.9926 29.9533 177.5276 108 A 3.9072 7.6308 120.6882 53.9876 18.7218 177.4544 109 W 4.7513 8.0849 116.5514 55.2108 30.1427 177.5377 110 V 3.7700 8.6742 123.5841 65.8798 30.9105 177.6860 111 A 4.0769 8.2718 120.3512 54.7019 18.1751 179.1970 112 W 3.9673 8.4166 126.9302 60.6057 30.5439 178.5072 113 R 3.6948 8.1244 116.6751 59.2508 29.6956 178.3629 114 N 4.3947 8.0031 115.3741 55.3465 38.7096 176.7545 115 R 4.1712 7.6531 113.3310 55.8240 30.6078 175.1856 116 C 4.5342 7.1204 115.6770 58.3317 42.6697 174.1181 117 Q 3.2774 6.5411 119.3478 57.4807 28.6301 175.7468 118 N 4.1940 8.6364 120.4448 54.3786 36.2572 173.8726 119 R 4.5678 7.3666 114.3718 54.0070 33.4105 175.9768 120 D 4.5441 8.4256 119.0908 54.2832 39.8963 175.7481 121 V 4.5423 8.1456 117.8341 61.2803 32.3845 178.4128 122 R 4.0365 8.1073 122.5983 59.4634 29.4342 178.5469 123 Q 3.9575 8.1982 116.8418 59.8507 27.8970 178.6349 124 Y 4.1189 7.7218 116.8386 59.7746 38.0974 176.7558 125 V 4.4117 7.8941 110.9906 60.7029 33.2766 175.5160 126 Q 4.0144 7.4886 120.4721 57.1888 28.7893 176.8697 127 G 3.9448 8.9571 110.3665 45.9789 0.0000 174.4299 128 C 4.4637 7.9166 116.0720 56.4415 40.6785 174.0609 129 G 3.8697 8.1550 107.2428 46.7101 0.0000 174.1726 130 V 4.0111 7.8695 118.0870 61.0908 32.1228 175.8017 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 K 8.17 4.15 0.00 2.02 1.63 0.00 1.28 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 1.13 7.81 2 V 8.17 4.53 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 9.96 4.28 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.73 4.27 0.00 1.91 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 2.29 2.23 0.00 5 R 8.96 3.28 0.00 1.91 1.91 0.00 3.46 0.00 0.00 3.47 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 6 C 8.02 4.34 0.00 3.00 3.11 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 7 E 8.10 3.89 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 8 L 8.04 3.58 0.00 1.39 1.41 -0.07 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.81 3.94 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 R 7.99 3.90 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 T 7.84 3.83 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 1.18 0.00 0.00 12 L 8.08 3.86 0.00 1.73 1.58 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.95 3.91 0.00 1.96 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.75 3.95 0.00 2.00 2.05 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.54 4.31 0.00 1.68 1.55 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.82 3.87 0.00 1.29 1.95 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 18 D 7.99 4.32 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.46 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 20 F 8.49 4.32 0.00 3.41 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 21 R 8.89 3.54 0.00 1.85 1.81 0.00 3.15 0.00 0.00 2.91 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 22 G 8.17 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.69 4.10 1.82 0.00 0.00 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 0.90 0.61 -0.18 0.00 0.00 24 S 8.34 4.61 0.00 4.07 4.03 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 25 L 8.89 4.24 0.00 2.07 1.82 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.20 4.16 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.14 4.45 0.00 2.82 2.74 0.00 0.00 6.90 7.67 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 28 W 8.00 4.20 0.00 3.58 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 29 M 8.46 4.19 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.92 0.00 30 C 8.03 3.20 0.00 2.50 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 31 L 8.17 3.95 0.00 1.86 1.86 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.27 4.12 1.48 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 0.00 0.00 33 K 8.00 2.78 0.00 1.41 1.72 0.00 0.71 0.00 0.00 1.07 0.00 0.00 2.58 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.12 0.25 7.81 34 W 7.55 4.23 0.00 3.33 3.24 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 35 E 8.39 4.34 0.00 2.00 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 2.54 2.37 0.00 36 S 8.02 4.52 0.00 4.06 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 37 G 7.98 3.28 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 0.00 38 Y 7.64 3.65 0.00 3.23 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 39 N 7.61 5.30 0.00 2.86 2.81 0.00 0.00 7.01 7.10 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 40 T 9.00 4.10 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 1.48 0.00 0.00 41 R 8.07 4.45 0.00 1.99 2.10 0.00 3.09 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 42 A 7.72 4.31 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 43 T 8.44 4.98 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 1.35 0.00 0.00 44 N 8.69 4.78 0.00 3.06 2.68 0.00 0.00 6.97 6.88 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 45 Y 8.75 4.51 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.34 4.76 0.00 2.63 2.57 0.00 0.00 6.58 7.62 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 47 A 8.35 3.76 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 48 G 8.05 3.76 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 0.00 0.00 0.00 49 D 7.34 4.68 0.00 2.69 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 50 R 8.14 3.91 0.00 2.03 2.20 0.00 3.13 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 51 S 7.51 4.92 0.00 3.90 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 52 T 8.72 5.05 4.04 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 0.00 0.00 0.67 0.00 0.00 53 D 8.91 5.44 0.00 2.71 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.03 4.96 0.00 2.93 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 55 G 9.05 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 0.00 0.00 0.00 0.00 56 I 8.29 3.88 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.83 0.03 0.00 0.00 57 F 7.92 4.68 0.00 3.23 3.02 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 58 Q 7.95 3.65 0.00 2.53 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 59 I 8.17 4.38 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 1.16 0.00 0.00 60 N 9.22 5.31 0.00 3.08 3.03 0.00 0.00 6.97 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.07 4.65 0.00 4.08 4.42 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 62 R 8.88 3.73 0.00 1.58 1.47 0.00 2.65 0.00 0.00 2.85 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 63 Y 7.66 4.19 0.00 1.52 1.77 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 64 W 8.05 4.69 0.00 3.55 3.30 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 65 C 7.90 5.58 0.00 3.15 3.20 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 66 N 8.96 4.76 0.00 2.79 2.71 0.00 0.00 7.07 8.68 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 67 D 8.57 4.81 0.00 2.90 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 68 G 8.48 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 0.00 0.00 0.00 69 K 7.87 4.38 0.00 1.94 1.94 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 70 T 7.78 4.39 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 1.15 0.00 0.00 71 P 0.00 4.25 0.00 2.01 1.98 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.50 3.92 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 0.00 0.00 0.00 73 A 7.71 4.68 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 74 V 8.33 4.30 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 0.63 0.00 0.00 0.84 0.00 0.00 75 N 8.13 4.96 0.00 2.79 2.65 0.00 0.00 6.75 8.29 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 76 A 9.01 4.03 1.25 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 0.00 0.00 0.00 77 C 8.75 4.43 0.00 3.26 3.23 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 78 H 7.72 4.06 0.00 3.34 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.33 4.84 0.00 1.67 1.49 0.96 0.68 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 80 S 8.35 4.71 0.00 3.83 3.69 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 81 C 8.63 4.04 0.00 2.24 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 82 S 7.63 3.91 0.00 3.85 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 83 A 7.86 4.08 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 84 L 7.73 4.43 0.00 1.94 1.82 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.82 4.99 0.00 1.77 1.71 1.10 1.02 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 86 Q 7.77 4.39 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 87 D 8.51 4.41 0.00 2.63 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 88 N 8.04 4.58 0.00 2.70 2.75 0.00 0.00 6.97 7.94 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 89 I 8.47 4.21 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.46 0.97 0.00 0.00 90 A 8.33 3.94 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 91 D 8.08 4.31 0.00 2.72 2.74 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 92 A 7.97 4.11 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 93 V 8.16 3.40 2.18 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 0.70 0.00 0.00 0.92 0.00 0.00 94 A 7.95 3.85 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 95 C 8.26 4.25 0.00 3.17 3.28 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 96 A 8.12 3.88 0.79 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 97 K 7.54 3.69 0.00 1.60 1.36 0.00 1.26 0.00 0.00 0.87 0.00 0.00 2.20 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.82 7.81 98 R 7.64 4.07 0.00 1.97 2.16 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 99 V 7.47 2.20 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 -0.25 0.00 0.00 -0.66 0.00 0.00 100 V 7.67 3.90 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 1.08 0.00 0.00 1.50 0.00 0.00 101 R 7.72 4.13 0.00 2.24 2.02 0.00 3.35 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 102 D 7.41 4.76 0.00 3.12 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.22 0.00 2.14 2.21 0.00 3.77 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 1.98 2.01 0.00 104 Q 8.15 4.01 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 105 G 8.03 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 0.00 0.00 0.00 106 I 7.79 3.57 1.01 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.30 -0.63 0.00 0.00 107 R 7.22 4.20 0.00 2.03 2.03 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.61 0.00 108 A 7.63 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.08 4.75 0.00 3.52 3.25 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 0.00 110 V 8.67 3.77 2.18 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 1.10 0.00 0.00 1.00 0.00 0.00 111 A 8.27 4.08 1.52 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 0.00 0.00 112 W 8.42 3.97 0.00 3.49 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 0.00 113 R 8.12 3.69 0.00 2.10 1.98 0.00 3.55 0.00 0.00 3.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 114 N 8.00 4.39 0.00 2.55 2.71 0.00 0.00 6.90 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 0.00 115 R 7.65 4.17 0.00 0.90 1.03 0.00 2.74 0.00 0.00 2.83 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.00 116 C 7.12 4.53 0.00 1.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 6.54 3.28 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 118 N 8.64 4.19 0.00 2.79 2.81 0.00 0.00 6.83 7.66 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 0.00 119 R 7.37 4.57 0.00 1.86 1.79 0.00 3.25 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 120 D 8.43 4.54 0.00 2.64 2.63 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 0.00 121 V 8.15 4.54 2.38 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 1.03 0.00 0.00 1.05 0.00 0.00 122 R 8.11 4.04 0.00 1.97 2.02 0.00 3.36 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 123 Q 8.20 3.96 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.10 1.45 0.00 124 Y 7.72 4.12 0.00 3.17 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 0.00 125 V 7.89 4.41 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.07 0.00 0.00 126 Q 7.49 4.01 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 127 G 8.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 7.92 4.46 0.00 2.93 3.14 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 0.00 129 G 8.16 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 0.00 130 V 7.87 4.01 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 0.80 0.00 0.00 0.96 0.00 0.00