NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3290 8.3044 120.3483 54.3017 33.1548 176.4924 2 L 4.0889 8.4190 121.4410 53.1865 43.7293 170.5429 3 M 4.1613 7.7377 121.8064 52.7241 35.0470 172.3168 4 P 4.6098 0.0000 0.0000 62.5391 32.1688 176.6092 5 R 4.1925 8.4801 118.2360 57.4682 30.4613 176.0504 6 R 4.5347 7.1875 115.1596 56.1532 33.9656 172.9865 7 M 4.4648 7.9126 117.4091 55.5068 35.5360 174.8741 8 K 4.1536 8.3552 117.7404 56.8754 33.7518 176.7712 9 Y 4.8441 7.2993 115.6007 56.3784 41.3427 175.1375 10 R 4.0994 8.9005 125.1590 57.7870 30.6557 176.0389 11 K 4.6074 8.0862 116.8828 54.4010 34.3575 175.1601 12 Q 4.6989 8.3967 121.3377 53.7130 30.2747 175.4036 13 Q 4.1927 8.5284 118.8591 56.2064 29.3932 178.1458 14 R 4.2565 8.7917 119.5975 57.4487 30.4076 178.5772 15 G 3.9802 7.3844 103.7711 45.0039 0.0000 172.2515 16 R 4.3524 7.9285 116.3048 54.3632 33.0558 175.2035 17 L 4.2686 8.1879 124.0725 54.1089 42.2153 176.6167 18 K 4.4939 7.9840 127.3782 55.9929 30.7821 177.6941 19 G 4.1442 8.3158 106.6887 43.9956 0.0000 172.1937 20 A 3.9390 9.9039 118.8106 52.0520 15.3930 177.9919 21 T 4.2668 8.5367 110.4041 64.3694 75.5314 174.5747 22 K 4.0309 8.0242 119.3933 55.4539 31.1220 175.3294 23 G 4.1974 8.2275 109.4766 46.1646 0.0000 170.2813 24 G 3.4887 8.7501 113.5505 45.6814 0.0000 178.0171 25 D 4.0767 7.3805 119.5222 54.8087 41.4873 176.0587 26 Y 4.8543 6.8036 115.8035 54.5572 39.3370 174.7699 27 V 3.9261 8.4367 119.9285 61.9820 32.2130 177.5193 28 A 3.8500 8.6111 125.4972 52.0522 17.3272 177.9607 29 F 4.6440 7.5981 109.8121 57.6208 42.3466 178.7409 30 G 4.4287 8.4663 117.4127 46.4039 0.0000 171.9685 31 D 4.7591 8.6333 115.8702 54.0076 43.0665 175.1300 32 Y 4.6491 7.5927 114.1339 57.5715 41.3455 173.9922 33 G 4.4062 7.7862 110.3166 45.8030 0.0000 170.5672 34 L 5.4543 8.0487 121.7528 53.0096 45.0706 175.6219 35 V 4.9522 9.2155 124.7634 59.6798 34.9084 174.5622 36 A 4.4937 8.2387 123.5307 51.7029 19.4806 178.3505 37 L 4.2992 8.5746 118.2341 54.9859 44.4880 176.5241 38 E 4.4610 7.9354 117.7445 53.5770 29.8348 173.6597 39 P 4.1520 0.0000 0.0000 62.6621 32.0038 176.0744 40 A 4.3460 7.1775 123.9528 51.2842 22.4395 176.4511 41 W 4.6869 8.7249 121.0626 56.8664 30.1226 175.5000 42 I 4.6344 8.5908 124.1101 59.3649 40.3589 173.8841 43 T 5.4934 9.8764 120.5550 60.5723 70.0236 175.8656 44 A 3.9632 8.8645 128.9259 55.2603 18.5501 178.9556 45 Q 3.9341 8.2391 115.6171 59.8914 28.3950 178.7277 46 Q 3.9413 8.1260 120.2221 58.4783 28.9360 178.6062 47 I 3.8575 8.6114 121.1929 65.3457 36.5997 177.8076 48 E 3.9229 9.2361 119.5058 59.2132 29.7984 178.8015 49 A 4.3286 8.5663 121.4268 54.8713 18.0014 178.7821 50 A 4.2341 7.7199 118.7804 54.3750 19.6818 179.5170 51 R 3.5749 7.3871 113.7288 59.6850 29.3906 178.0311 52 V 3.6254 9.6368 118.9339 63.8643 31.0613 177.7111 53 A 3.9045 6.7634 118.6869 55.1804 18.9429 178.9019 54 M 3.6996 10.4470 113.2547 58.0850 31.9292 178.2193 55 V 4.1116 6.5164 119.7050 65.6757 32.2878 178.0462 56 R 3.9754 8.2765 117.4994 59.8124 30.0954 178.0601 57 H 3.2868 8.6913 112.4378 60.1245 31.4481 175.8392 58 F 4.7033 8.4072 115.9408 55.1128 37.4434 175.7377 59 R 3.9962 7.9435 117.8321 58.2421 30.0484 176.5546 60 R 3.8176 8.6056 115.7247 57.1040 29.4772 177.7581 61 G 3.7638 7.6069 114.5280 45.8306 0.0000 176.8193 62 G 3.7357 8.5413 108.9982 45.4602 0.0000 175.5724 63 K 4.6522 5.8376 121.4138 54.9731 36.3525 173.8360 64 I 4.2893 8.0594 125.7923 59.4589 40.9987 174.4179 65 F 5.2080 7.8138 118.3838 55.9755 44.1597 174.2112 66 I 5.0297 8.3516 113.3107 59.1281 39.1803 176.2327 67 R 4.0076 10.1261 128.1314 57.7299 30.1232 176.8582 68 I 4.4199 7.2713 111.5118 59.3374 39.8421 175.2882 69 F 4.8247 8.2182 121.9628 57.0041 40.8039 173.2799 70 P 5.4389 0.0000 0.0000 62.2961 30.4177 178.2066 71 D 4.3918 7.7455 114.7274 54.4431 38.6496 175.6848 72 K 4.3950 8.4372 123.0902 54.5977 34.2101 172.4363 73 P 3.7087 0.0000 0.0000 62.6854 31.7138 175.8819 74 Y 3.8995 7.7753 125.7961 58.0646 40.3981 175.5104 75 T 5.3501 8.8124 119.4906 62.7246 71.5789 172.9538 76 K 4.6567 8.5387 127.2762 54.4362 35.9734 174.7300 77 K 4.8225 8.2954 121.5074 53.5947 34.8853 174.4453 78 P 4.3697 0.0000 0.0000 62.1555 31.6753 175.6939 79 L 3.7472 8.2338 124.4652 56.0534 42.7031 176.4832 80 E 3.8416 8.8685 122.8215 56.8680 27.0031 174.7025 81 V 4.0164 7.2797 118.0896 60.6727 32.5295 176.3163 82 R 4.1756 8.1809 120.8704 55.7665 30.7169 175.8427 83 M 4.2819 8.4736 119.4555 55.5805 33.6061 180.4586 84 G 3.6884 9.0150 109.8252 44.9448 0.0000 175.8361 85 K 3.7959 9.9358 118.7588 56.5075 30.2443 173.0154 86 G 4.0202 7.6404 109.8947 43.1819 0.0000 175.9714 87 K 4.8161 9.3002 135.0000 56.7895 33.8646 172.6890 88 G 4.4850 7.6277 113.5768 43.1649 0.0000 173.2421 89 N 4.8177 8.4823 119.1446 52.5543 41.0548 174.4867 90 V 4.0212 8.0167 119.5003 63.7304 32.7115 175.7269 91 E 4.4689 8.6667 120.3009 55.8341 32.1667 178.3421 92 G 4.4801 8.1146 114.4870 46.4600 0.0000 172.0062 93 Y 5.2374 8.4549 118.8719 57.2793 43.1525 174.0519 94 V 5.4914 8.4647 112.6322 60.2681 36.7174 173.6306 95 A 4.6415 8.3539 121.5387 49.3330 22.0990 177.4118 96 V 3.9570 8.0238 119.1188 62.8786 29.9128 179.4565 97 V 3.8242 7.4975 115.0840 60.9167 30.1289 174.6405 98 K 4.5166 8.1592 123.2498 54.6480 32.5646 174.2116 99 P 4.3082 0.0000 0.0000 63.3856 30.9675 175.8194 100 G 3.8410 8.9020 110.3997 45.2527 0.0000 172.7625 101 R 4.4601 7.5865 121.8456 54.5679 31.0532 175.5119 102 V 3.9036 8.2445 125.2835 63.1436 32.0414 174.2938 103 M 4.2418 8.3294 125.8465 56.3526 33.3107 175.6758 104 F 5.5634 7.3686 115.8515 55.1401 43.3532 174.1634 105 E 4.8356 8.6412 117.8038 56.1493 31.9759 174.8598 106 V 4.4688 8.6060 118.0672 60.5115 34.4744 174.9515 107 A 4.8494 8.3955 121.3910 52.1864 22.7924 177.2943 108 G 3.9977 8.7126 107.7284 45.1712 0.0000 173.0457 109 V 4.4821 7.1999 117.3056 59.9767 35.0259 175.2324 110 T 4.0771 8.1426 116.3559 61.4841 68.8381 174.3610 111 E 2.9191 8.7697 128.1348 59.3779 29.3518 178.1831 112 E 3.8108 7.7385 117.6393 60.0191 29.3679 178.8137 113 Q 3.9740 7.8966 116.4291 58.8247 28.9717 178.1926 114 A 3.9252 7.8772 121.7997 55.7920 18.1757 179.5373 115 M 3.7383 7.8746 114.9029 57.9778 32.1999 176.7297 116 E 4.2502 9.1140 118.9894 56.7433 30.3936 177.6247 117 A 3.4027 6.8705 119.5391 55.1604 18.9309 179.2116 118 L 3.7835 8.8486 118.4025 58.4248 42.2489 180.6168 119 R 3.7304 8.1462 118.4464 59.1163 31.0773 178.4604 120 I 3.7951 7.6444 118.6368 64.5677 37.2388 178.0333 121 A 3.6694 8.1127 121.6562 55.5868 17.8272 179.8797 122 G 3.6395 7.7385 103.0003 47.6194 0.0000 174.8669 123 H 4.6314 8.8068 118.2321 57.5559 29.4060 177.2987 124 K 4.2115 7.9972 118.6507 57.6933 32.1874 176.9273 125 L 4.5349 7.4213 119.0098 53.2577 42.9816 174.4711 126 P 4.7686 0.0000 0.0000 62.6894 31.9193 174.8592 127 I 4.7500 7.2616 112.6065 59.5436 40.1340 174.5473 128 K 4.5806 8.4198 118.6954 55.8917 33.9199 176.3336 129 T 4.7691 7.5521 109.5105 61.5442 71.2040 172.5371 130 K 4.3219 7.8741 117.9028 56.6230 35.3502 174.6356 131 I 5.6228 8.5483 127.1159 59.4086 39.3965 175.1110 132 V 4.7348 8.2443 118.8207 58.7832 36.1833 175.9176 133 R 4.3786 8.4990 119.7050 56.9693 30.0751 178.5865 134 R 4.0474 8.2777 125.5915 57.2395 31.9697 177.1755 135 D 3.8069 6.6705 112.0139 55.1948 42.2694 176.7526 136 A 4.3860 8.1265 123.9614 53.5934 20.0105 178.8790 137 Y 4.3534 8.2541 110.6363 58.9237 37.4077 175.4239 138 D 4.7515 8.1888 121.5919 53.0767 41.5624 176.6653 139 E 4.4779 8.3991 124.0803 53.6681 30.2310 174.7155 140 A 4.3963 8.3222 121.9540 50.5383 21.3681 176.5639 141 Q 4.3514 8.5639 119.4668 55.6677 29.7531 173.8237 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 M 8.30 4.33 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 L 8.42 4.09 0.00 1.66 1.51 1.08 0.60 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 3 M 7.74 4.16 0.00 1.56 0.82 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 4 P 0.00 4.61 0.00 2.42 2.02 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 5 R 8.48 4.19 0.00 1.83 2.01 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 6 R 7.19 4.53 0.00 1.76 1.79 0.00 3.39 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 7 M 7.91 4.46 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 8 K 8.36 4.15 0.00 0.79 1.01 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.57 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.16 1.25 7.81 9 Y 7.30 4.84 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.90 4.10 0.00 1.82 2.00 0.00 3.19 0.00 0.00 3.25 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 11 K 8.09 4.61 0.00 1.76 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.40 7.81 12 Q 8.40 4.70 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 13 Q 8.53 4.19 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 14 R 8.79 4.26 0.00 1.87 2.17 0.00 3.43 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 15 G 7.38 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.93 4.35 0.00 1.64 1.68 0.00 3.17 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 17 L 8.19 4.27 0.00 1.53 1.50 0.70 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.98 4.49 0.00 1.66 1.03 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 19 G 8.32 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 20 A 9.90 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.54 4.27 4.20 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 1.28 0.00 0.00 22 K 8.02 4.03 0.00 1.89 2.01 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.41 7.81 23 G 8.23 4.20 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 0.00 24 G 8.75 3.49 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 0.00 25 D 7.38 4.08 0.00 2.76 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 26 Y 6.80 4.85 0.00 3.13 2.98 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 0.00 0.00 0.00 27 V 8.44 3.93 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 1.32 0.00 0.00 0.74 0.00 0.00 28 A 8.61 3.85 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 29 F 7.60 4.64 0.00 3.32 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 30 G 8.47 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 0.00 0.00 0.00 31 D 8.63 4.76 0.00 2.84 2.45 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 32 Y 7.59 4.65 0.00 2.95 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 33 G 7.79 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 0.00 0.00 0.00 0.00 34 L 8.05 5.45 0.00 1.92 1.57 1.03 1.08 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 35 V 9.22 4.95 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 0.99 0.00 0.00 36 A 8.24 4.49 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 37 L 8.57 4.30 0.00 1.59 1.66 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.94 4.46 0.00 1.92 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 2.21 2.29 0.00 39 P 0.00 4.15 0.00 1.96 1.96 0.00 3.72 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 1.99 2.08 0.00 40 A 7.18 4.35 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 41 W 8.72 4.69 0.00 3.27 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 42 I 8.59 4.63 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.97 0.00 0.00 43 T 9.88 5.49 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 1.34 0.00 0.00 44 A 8.86 3.96 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 45 Q 8.24 3.93 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 46 Q 8.13 3.94 0.00 2.26 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 47 I 8.61 3.86 2.18 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 1.54 1.17 1.07 0.00 0.00 48 E 9.24 3.92 0.00 2.00 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 0.00 2.31 2.33 0.00 49 A 8.57 4.33 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 50 A 7.72 4.23 1.13 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 0.00 0.00 51 R 7.39 3.57 0.00 1.97 2.28 0.00 2.79 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 52 V 9.64 3.63 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 53 A 6.76 3.90 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 54 M 10.45 3.70 0.00 2.08 1.63 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 55 V 6.52 4.11 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 0.95 0.00 0.00 0.95 0.00 0.00 56 R 8.28 3.98 0.00 1.96 2.05 0.00 3.36 0.00 0.00 3.16 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 57 H 8.69 3.29 0.00 2.98 2.84 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.41 4.70 0.00 3.18 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 59 R 7.94 4.00 0.00 1.92 2.18 0.00 3.22 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 60 R 8.61 3.82 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 61 G 7.61 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 62 G 8.54 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 63 K 5.84 4.65 0.00 1.83 1.54 0.00 1.73 0.00 0.00 2.05 0.00 0.00 3.11 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.25 1.46 7.81 64 I 8.06 4.29 1.77 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.84 0.00 0.00 65 F 7.81 5.21 0.00 2.94 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 66 I 8.35 5.03 2.13 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 1.19 0.00 0.00 67 R 10.13 4.01 0.00 2.11 2.06 0.00 3.56 0.00 0.00 3.46 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 68 I 7.27 4.42 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.87 0.00 0.00 69 F 8.22 4.82 0.00 2.84 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 70 P 0.00 5.44 0.00 2.19 2.24 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 71 D 7.75 4.39 0.00 2.77 2.51 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 72 K 8.44 4.40 0.00 1.80 1.76 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.30 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.17 1.60 7.81 73 P 0.00 3.71 0.00 1.90 1.98 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 74 Y 7.78 3.90 0.00 2.73 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 75 T 8.81 5.35 4.27 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 1.28 0.00 0.00 76 K 8.54 4.66 0.00 1.50 1.64 0.00 1.38 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 77 K 8.30 4.82 0.00 1.75 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81 78 P 0.00 4.37 0.00 2.16 1.96 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 79 L 8.23 3.75 0.00 1.59 1.57 0.91 1.01 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 80 E 8.87 3.84 0.00 2.17 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 2.20 2.28 0.00 81 V 7.28 4.02 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 0.76 0.00 0.00 0.93 0.00 0.00 82 R 8.18 4.18 0.00 1.82 1.92 0.00 3.38 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 83 M 8.47 4.28 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 84 G 9.02 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 0.00 0.00 0.00 85 K 9.94 3.80 0.00 1.84 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.36 7.81 86 G 7.64 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 0.00 0.00 0.00 87 K 9.30 4.82 0.00 1.77 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.19 7.81 88 G 7.63 4.49 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 0.00 89 N 8.48 4.82 0.00 2.69 2.76 0.00 0.00 6.59 7.68 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 90 V 8.02 4.02 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 0.78 0.00 0.00 0.89 0.00 0.00 91 E 8.67 4.47 0.00 1.32 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 92 G 8.11 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.45 5.24 0.00 2.80 3.08 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 94 V 8.46 5.49 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 0.64 0.00 0.00 -0.11 0.00 0.00 95 A 8.35 4.64 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 96 V 8.02 3.96 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 0.86 0.00 0.00 1.01 0.00 0.00 97 V 7.50 3.82 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 1.18 0.00 0.00 98 K 8.16 4.52 0.00 1.79 1.99 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 99 P 0.00 4.31 0.00 2.03 2.05 0.00 3.68 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 100 G 8.90 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 0.00 0.00 0.00 101 R 7.59 4.46 0.00 1.81 1.77 0.00 3.11 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 102 V 8.24 3.90 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 0.98 0.00 0.00 1.10 0.00 0.00 103 M 8.33 4.24 0.00 1.09 0.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 104 F 7.37 5.56 0.00 3.08 2.85 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 0.00 105 E 8.64 4.84 0.00 2.35 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 0.00 2.63 2.90 0.00 106 V 8.61 4.47 2.23 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 0.95 0.00 0.00 1.08 0.00 0.00 107 A 8.40 4.85 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 0.00 108 G 8.71 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 0.00 0.00 0.00 109 V 7.20 4.48 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 1.02 0.00 0.00 0.85 0.00 0.00 110 T 8.14 4.08 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 0.00 111 E 8.77 2.92 0.00 2.15 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 0.00 2.36 2.51 0.00 112 E 7.74 3.81 0.00 2.01 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 2.30 2.36 0.00 113 Q 7.90 3.97 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 114 A 7.88 3.93 1.02 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 0.00 0.00 115 M 7.87 3.74 0.00 1.94 2.31 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 116 E 9.11 4.25 0.00 1.96 1.75 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 2.16 2.11 0.00 117 A 6.87 3.40 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.85 3.78 0.00 1.71 1.75 1.03 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.15 3.73 0.00 2.10 1.88 0.00 3.11 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 120 I 7.64 3.80 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 0.89 0.00 0.00 121 A 8.11 3.67 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 0.00 122 G 7.74 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.81 4.63 0.00 3.15 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.00 4.21 0.00 1.94 1.90 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.46 7.81 125 L 7.42 4.53 0.00 1.72 1.68 0.98 1.05 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 0.00 126 P 0.00 4.77 0.00 2.21 2.20 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 127 I 7.26 4.75 1.88 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 1.43 0.75 0.94 0.00 0.00 128 K 8.42 4.58 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.60 7.81 129 T 7.55 4.77 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 1.23 0.00 0.00 130 K 7.87 4.32 0.00 1.83 1.66 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.32 7.81 131 I 8.55 5.62 1.93 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 1.41 1.10 1.04 0.00 0.00 132 V 8.24 4.73 2.17 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 0.97 0.00 0.00 1.07 0.00 0.00 133 R 8.50 4.38 0.00 1.76 0.95 0.00 3.12 0.00 0.00 3.14 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.42 0.00 134 R 8.28 4.05 0.00 1.70 1.79 0.00 3.06 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 135 D 6.67 3.81 0.00 2.86 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.13 4.39 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 0.00 137 Y 8.25 4.35 0.00 3.03 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 0.00 138 D 8.19 4.75 0.00 2.63 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 0.00 139 E 8.40 4.48 0.00 1.61 1.69 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 1.72 1.92 0.00 140 A 8.32 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.56 4.35 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.60 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00