NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.7060 8.4449 117.8334 55.9777 30.8507 173.5355 1C H 3.7919 8.2653 114.4539 56.7656 28.8008 173.5405 1D H 4.7367 9.5897 120.8767 56.0699 30.4162 173.5483 1E H 5.1290 7.7823 115.4758 53.6702 32.7000 172.1202 1F H 4.7110 8.8902 116.6932 55.7562 29.2673 174.3445 1G F 4.8986 8.3243 119.3735 57.7396 39.6976 174.0941 2 N 4.7161 8.3252 117.4164 52.3358 39.4742 174.6335 3 L 4.8151 8.1211 122.9702 51.9906 44.2826 174.6170 4 P 4.5495 0.0000 0.0000 61.4539 32.3833 174.2160 5 P 4.3763 0.0000 0.0000 62.4249 32.2031 176.4367 6 G 3.9664 7.3782 106.0997 44.3291 0.0000 171.2404 7 N 4.3863 7.6640 116.6384 52.5080 39.7553 173.5442 8 Y 4.7940 7.8769 112.8812 57.7340 38.4612 177.0732 9 K 4.0778 8.3950 122.1557 58.7999 32.2553 177.1807 10 K 4.6980 7.6003 115.0180 53.3140 35.4614 173.5330 11 P 4.7569 0.0000 0.0000 63.1442 32.8276 174.5237 12 K 4.8502 9.5612 119.1006 55.5835 37.4569 175.0364 13 L 5.0975 9.2600 120.7505 53.2935 44.9327 176.4382 14 L 5.0421 8.7943 122.9407 53.4949 42.8687 174.0507 15 Y 4.4150 8.8237 125.5923 56.3569 40.8023 173.4992 16 C 4.3407 7.6576 126.5828 56.2705 33.2552 174.7623 17 S 3.9102 8.4661 123.1824 61.3038 62.8990 175.2563 18 N 4.1836 7.9770 118.3179 56.1876 38.3231 175.3222 19 G 4.0108 7.3721 100.6396 44.2189 0.0000 171.8006 20 G 3.5590 7.6350 106.7778 44.9014 0.0000 173.3450 21 H 5.1456 7.3852 114.4168 53.7528 32.7913 174.0714 22 F 5.0890 9.0791 119.6418 55.4412 40.8573 175.3935 23 L 4.5459 8.9613 126.9798 55.6516 42.6404 176.2064 24 R 4.8713 9.7561 126.1095 54.7344 34.0436 174.0610 25 I 4.9060 8.2098 125.3320 59.1404 38.9785 175.5263 26 L 4.0933 9.0298 128.0430 53.4856 42.3439 177.0642 27 P 4.2389 0.0000 0.0000 65.7721 31.2223 177.4579 28 D 4.5472 7.9691 114.5482 53.5779 39.7077 176.9697 29 G 4.1453 8.1523 109.2171 45.3148 0.0000 174.0505 30 T 4.2713 8.7676 118.1678 63.4057 69.0163 173.4927 31 V 4.8917 7.8117 124.9534 61.2041 34.5085 174.5385 32 D 4.5348 8.3835 124.5701 53.3946 43.7185 174.4595 33 G 4.5929 8.6219 104.7898 45.5608 0.0000 172.0959 34 T 5.0038 8.7453 113.6023 60.7302 70.9059 174.7255 35 R 4.3629 8.8690 124.6122 57.1921 30.8581 176.5465 36 D 4.5542 8.1819 118.7270 53.4527 39.9183 176.7440 37 R 3.4667 8.3974 126.4854 58.2201 30.2134 178.2792 38 S 4.2676 8.0933 111.2950 58.9882 63.6461 174.2266 39 D 4.3211 7.8732 121.8708 55.2162 41.1273 175.9517 40 Q 4.5492 8.4800 123.0024 56.0801 29.3097 175.7717 41 H 4.8943 9.3726 115.6953 55.4707 29.1988 175.2876 42 I 4.4510 7.5414 112.2366 60.9170 38.6571 175.4081 43 Q 4.2259 7.9117 121.7774 55.8918 29.5013 174.8040 44 L 4.9589 9.1636 124.9215 52.7724 45.4598 175.4031 45 Q 4.8212 9.3139 124.2118 54.4864 31.0255 174.4379 46 L 5.7298 8.8603 126.2499 53.0596 44.0775 176.0378 47 S 4.4383 8.0512 114.0455 56.8375 66.4363 173.1829 48 A 5.0656 8.1345 123.1144 51.9454 19.6993 177.4209 49 E 4.3221 8.7925 118.9336 56.5535 30.0156 179.1988 50 S 4.5307 6.2217 112.8971 57.0705 64.4118 173.5190 51 V 3.8574 8.2116 121.5993 64.9381 31.6112 176.4004 52 G 3.9579 9.2075 114.8845 44.9854 0.0000 172.1707 53 E 5.1117 8.4012 120.0724 54.9170 31.9260 175.6597 54 V 4.8934 8.7750 115.9071 59.9570 36.8870 173.7515 55 Y 4.9806 8.9726 119.7755 56.4456 41.0490 175.3252 56 I 4.5927 8.5585 123.5121 59.6295 39.6929 173.9575 57 K 4.7351 8.5921 129.0810 54.1428 34.8358 175.0467 58 S 4.5131 8.9238 122.9492 58.3314 62.7309 174.9768 59 T 3.8493 8.4932 118.4789 64.6983 68.7924 175.8974 60 E 4.0343 8.3902 122.5271 58.6249 29.9054 177.2075 61 T 4.4520 7.8571 106.3600 60.5656 69.1562 175.0741 62 G 3.8871 7.8785 108.1995 46.5206 0.0000 174.3542 63 Q 4.5555 7.4827 119.0368 55.8306 30.4449 174.4649 64 Y 4.7601 9.2732 120.5296 56.1293 40.2671 175.1289 65 L 4.5456 8.6854 126.0607 55.4953 43.5892 175.4371 66 C 5.1032 8.7493 121.6237 58.4455 33.2660 172.4360 67 M 5.4213 8.5695 120.5419 53.9574 34.4278 175.3893 68 D 5.2524 9.3773 125.7807 51.9066 41.0251 176.9114 69 T 4.2929 8.5301 107.7547 63.4529 68.6241 174.3961 70 D 4.7353 8.9603 121.7834 54.1628 41.7596 177.1696 71 G 3.2088 8.5862 109.0151 44.6506 0.0000 172.7404 72 L 4.7131 7.6458 119.7396 53.4962 43.3944 175.9736 73 L 5.2361 8.5150 123.2138 54.7908 43.0885 175.3972 74 Y 4.9839 8.7873 119.1900 56.1431 41.9977 173.3426 75 G 4.4220 8.9968 108.2796 44.9072 0.0000 173.2392 76 S 5.0824 9.0508 119.1679 56.4357 65.2747 175.1197 77 Q 3.9296 8.9930 123.9632 58.3956 28.8115 176.3141 78 T 4.7713 7.4182 105.3468 58.5214 71.9511 171.6138 79 P 4.0155 0.0000 0.0000 62.5343 32.1861 175.7136 80 N 4.7720 7.8564 115.1762 52.3684 39.3157 174.4679 81 E 4.5010 8.8071 120.7487 56.8640 29.6940 176.2737 82 E 4.6302 9.0754 117.2776 56.7922 30.1195 175.9495 83 C 4.9177 8.0436 111.8447 57.8948 31.2111 173.2723 84 L 4.3874 7.3507 121.6828 54.2962 42.7692 175.6876 85 F 5.1588 8.7732 120.8639 55.6236 43.6929 174.3154 86 L 4.7869 9.3948 123.1958 53.6498 42.6394 175.7224 87 E 4.4333 8.9325 127.1758 55.5783 29.9780 175.8994 88 R 4.8455 8.5947 125.7648 54.0261 34.5421 175.0220 89 L 4.7100 8.5544 123.4520 55.2949 43.4224 175.8592 90 E 4.5931 8.9202 123.5865 55.5215 33.4144 175.0034 91 E 3.5624 9.6256 124.7955 57.4304 27.1122 174.3214 92 N 4.3148 8.6487 111.9427 54.3876 36.1621 173.8554 93 H 4.6776 8.2324 116.4724 57.8465 33.5360 173.6106 94 Y 4.4747 7.6903 115.5352 57.9348 39.7140 173.4278 95 N 5.6070 9.7522 118.2800 51.8499 41.4341 174.4173 96 T 5.1569 8.8442 112.8646 60.0683 72.7510 172.4564 97 Y 4.9360 8.6696 120.5195 56.5884 40.7854 174.3235 98 I 4.6537 8.4473 125.8445 59.0358 39.9200 175.1983 99 S 3.8024 8.6784 121.8267 58.4922 62.2558 173.6541 100 K 3.8384 8.5193 129.5507 59.6415 32.1914 178.4034 101 K 3.6743 7.8858 117.5635 59.2618 32.0832 177.3194 102 H 4.6007 7.6706 114.5120 55.0217 29.9577 176.5703 103 A 3.9228 7.8336 125.4511 55.4378 18.0451 179.9221 104 E 3.6615 7.9511 115.5562 58.3991 29.7674 177.3432 105 K 4.0452 7.4831 116.0342 55.7820 32.5834 175.8562 106 N 3.9849 7.7188 115.4541 53.9625 36.4723 174.5487 107 W 5.0587 7.8872 118.0475 56.2327 30.5341 176.6404 108 F 5.4840 9.2975 123.8848 55.3973 41.4245 175.4801 109 V 4.0121 8.9512 121.3154 63.0665 32.5938 175.2118 110 G 4.3747 8.4945 112.3210 45.6063 0.0000 171.5723 111 L 5.3030 8.4187 121.0945 52.4025 44.6348 177.3099 112 K 4.2365 9.2720 123.7480 55.6399 32.9418 178.3128 113 K 3.9923 8.3782 119.2955 59.5254 31.9340 178.2328 114 N 4.4972 7.9769 113.4774 53.3360 37.8005 175.7024 115 G 3.5858 8.0806 108.7978 44.8438 0.0000 173.2805 116 S 4.9521 8.0269 114.7689 56.8947 65.2966 173.9040 117 C 4.7907 8.5333 118.6995 60.0911 28.7142 173.3531 118 K 4.4465 8.4361 120.6216 55.3222 33.5507 176.4846 119 R 4.1565 8.3419 122.5656 54.9872 31.5084 177.1325 120 G 3.3331 8.6643 115.6129 48.2227 0.0000 173.9813 121 P 4.4303 0.0000 0.0000 64.1147 31.4161 177.2914 122 R 4.5066 8.3358 117.0956 55.7846 30.1720 175.8791 123 T 5.3211 7.3699 107.7566 59.6775 71.1564 172.8872 124 H 4.7421 7.9794 115.5650 54.9539 30.5773 172.9069 125 Y 3.8708 8.6444 117.9833 59.9975 38.0227 177.6686 126 G 4.0068 8.9518 110.7952 45.4479 0.0000 173.7906 127 Q 4.2216 7.2801 119.1210 55.0315 29.8944 177.3996 128 K 3.8330 8.4205 120.2947 59.2370 32.5452 179.4062 129 A 3.9606 7.8289 121.5004 54.3370 18.3636 178.4156 130 I 4.4305 6.7132 105.7976 60.4587 38.0170 175.6412 131 L 4.2765 7.3849 123.2686 54.2881 42.4038 175.9329 132 F 4.9995 9.4991 122.8383 55.4278 43.4851 174.2441 133 L 5.1232 9.0966 123.2025 52.5821 44.7701 173.7731 134 P 4.9735 0.0000 0.0000 62.9632 31.9387 175.6277 135 L 4.9452 9.3457 125.1964 51.8863 44.8497 174.6192 136 P 4.6361 0.0000 0.0000 62.5853 32.2808 177.0730 137 V 3.7808 8.2332 114.8664 61.7940 31.5994 176.2693 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 1B H 8.44 4.71 0.00 3.18 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.27 3.79 0.00 3.13 3.49 0.00 5.87 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 1D H 9.59 4.74 0.00 3.12 3.24 0.00 5.64 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 1E H 7.78 5.13 0.00 3.23 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.89 4.71 0.00 3.34 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.32 4.90 0.00 2.85 3.04 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 0.00 2 N 8.33 4.72 0.00 2.98 2.79 0.00 0.00 6.83 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.12 4.82 0.00 1.49 1.40 0.69 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.55 0.00 2.19 2.09 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 5 P 0.00 4.38 0.00 2.18 2.07 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 7.38 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.66 4.39 0.00 2.66 2.66 0.00 0.00 5.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.88 4.79 0.00 3.05 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 9 K 8.39 4.08 0.00 1.82 1.91 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.51 7.81 10 K 7.60 4.70 0.00 1.71 1.68 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.76 0.00 2.09 2.08 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 12 K 9.56 4.85 0.00 1.65 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.65 7.81 13 L 9.26 5.10 0.00 1.83 2.00 0.73 0.65 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 14 L 8.79 5.04 0.00 1.64 1.71 0.32 0.81 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 15 Y 8.82 4.41 0.00 2.66 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 16 C 7.66 4.34 0.00 1.72 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 0.00 0.00 0.00 0.00 17 S 8.47 3.91 0.00 3.75 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 18 N 7.98 4.18 0.00 2.56 2.66 0.00 0.00 6.68 7.98 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 19 G 7.37 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 20 G 7.63 3.56 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 0.00 21 H 7.39 5.15 0.00 3.00 3.27 0.00 5.79 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 22 F 9.08 5.09 0.00 3.19 3.09 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 23 L 8.96 4.55 0.00 1.82 1.62 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.76 4.87 0.00 1.90 2.01 0.00 3.25 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 25 I 8.21 4.91 1.85 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 1.19 0.76 0.90 0.00 0.00 26 L 9.03 4.09 0.00 1.75 1.53 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.24 0.00 2.00 2.11 0.00 3.53 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 28 D 7.97 4.55 0.00 2.79 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 29 G 8.15 4.15 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 0.00 0.00 0.00 30 T 8.77 4.27 4.33 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 1.22 0.00 0.00 31 V 7.81 4.89 2.11 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 0.91 0.00 0.00 0.97 0.00 0.00 32 D 8.38 4.53 0.00 2.85 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 33 G 8.62 4.59 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 0.00 34 T 8.75 5.00 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 1.43 0.00 0.00 35 R 8.87 4.36 0.00 1.90 2.04 0.00 3.26 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 36 D 8.18 4.55 0.00 2.80 2.62 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 0.00 37 R 8.40 3.47 0.00 1.71 1.68 0.00 3.35 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 38 S 8.09 4.27 0.00 3.95 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 39 D 7.87 4.32 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 4.55 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 41 H 9.37 4.89 0.00 3.31 3.44 0.00 5.78 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 42 I 7.54 4.45 1.98 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.54 1.03 0.00 0.00 43 Q 7.91 4.23 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 44 L 9.16 4.96 0.00 1.48 1.44 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.31 4.82 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 46 L 8.86 5.73 0.00 1.74 1.51 0.89 0.99 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 47 S 8.05 4.44 0.00 3.87 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 48 A 8.13 5.07 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 49 E 8.79 4.32 0.00 1.61 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 2.14 2.34 0.00 50 S 6.22 4.53 0.00 4.10 3.81 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 51 V 8.21 3.86 2.34 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 0.97 0.00 0.00 1.04 0.00 0.00 52 G 9.21 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 53 E 8.40 5.11 0.00 2.02 1.72 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 2.24 2.55 0.00 54 V 8.78 4.89 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 0.79 0.00 0.00 1.08 0.00 0.00 55 Y 8.97 4.98 0.00 2.89 2.99 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 56 I 8.56 4.59 1.66 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.68 0.65 0.00 0.00 57 K 8.59 4.74 0.00 1.47 1.49 0.00 1.19 0.00 0.00 1.15 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.94 0.39 7.81 58 S 8.92 4.51 0.00 3.85 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 59 T 8.49 3.85 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 1.17 0.00 0.00 60 E 8.39 4.03 0.00 2.00 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 2.12 2.34 0.00 61 T 7.86 4.45 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 1.26 0.00 0.00 62 G 7.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.48 4.56 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 64 Y 9.27 4.76 0.00 2.89 2.91 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 65 L 8.69 4.55 0.00 1.66 1.44 0.82 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.75 5.10 0.00 1.37 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 0.00 0.00 0.00 0.00 67 M 8.57 5.42 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 68 D 9.38 5.25 0.00 3.03 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 69 T 8.53 4.29 4.38 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 1.33 0.00 0.00 70 D 8.96 4.74 0.00 2.78 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 71 G 8.59 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 0.00 0.00 0.00 72 L 7.65 4.71 0.00 1.87 1.61 0.87 0.62 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 73 L 8.51 5.24 0.00 1.57 1.62 0.91 0.98 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 74 Y 8.79 4.98 0.00 3.01 2.99 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 75 G 9.00 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 0.00 0.00 0.00 76 S 9.05 5.08 0.00 3.93 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 77 Q 8.99 3.93 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.42 4.77 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 1.23 0.00 0.00 79 P 0.00 4.02 0.00 1.88 1.07 0.00 3.42 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.41 0.00 80 N 7.86 4.77 0.00 2.78 2.82 0.00 0.00 6.07 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 81 E 8.81 4.50 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 82 E 9.08 4.63 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 83 C 8.04 4.92 0.00 3.39 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 84 L 7.35 4.39 0.00 1.41 1.39 0.78 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.77 5.16 0.00 2.99 3.04 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 0.00 86 L 9.39 4.79 0.00 1.51 1.62 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.93 4.43 0.00 2.17 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 2.25 2.05 0.00 88 R 8.59 4.85 0.00 1.79 1.79 0.00 3.12 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 89 L 8.55 4.71 0.00 1.62 1.71 0.99 0.72 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 90 E 8.92 4.59 0.00 2.24 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 91 E 9.63 3.56 0.00 2.41 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 0.00 2.28 2.39 0.00 92 N 8.65 4.31 0.00 2.87 2.92 0.00 0.00 6.80 8.16 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 93 H 8.23 4.68 0.00 2.88 2.94 0.00 5.95 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 94 Y 7.69 4.47 0.00 3.03 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 95 N 9.75 5.61 0.00 2.96 2.57 0.00 0.00 6.95 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 96 T 8.84 5.16 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 1.28 0.00 0.00 97 Y 8.67 4.94 0.00 2.76 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 98 I 8.45 4.65 1.68 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.93 0.49 0.00 0.00 99 S 8.68 3.80 0.00 3.98 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 0.00 100 K 8.52 3.84 0.00 1.72 1.61 0.00 1.73 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.31 7.81 101 K 7.89 3.67 0.00 1.62 1.65 0.00 2.02 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.95 1.37 7.81 102 H 7.67 4.60 0.00 3.26 2.62 0.00 5.69 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 0.00 103 A 7.83 3.92 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 0.00 104 E 7.95 3.66 0.00 1.62 1.76 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 2.06 1.63 0.00 105 K 7.48 4.05 0.00 0.79 0.98 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.79 7.81 106 N 7.72 3.98 0.00 3.02 3.15 0.00 0.00 6.94 7.22 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 0.00 107 W 7.89 5.06 0.00 3.30 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 0.00 108 F 9.30 5.48 0.00 2.81 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 0.00 109 V 8.95 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 0.64 0.00 0.00 0.59 0.00 0.00 110 G 8.49 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 0.00 111 L 8.42 5.30 0.00 1.30 1.42 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.27 4.24 0.00 1.93 1.70 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.53 7.81 113 K 8.38 3.99 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.66 1.37 7.81 114 N 7.98 4.50 0.00 2.82 2.91 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.08 3.59 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 0.00 116 S 8.03 4.95 0.00 3.90 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 0.00 117 C 8.53 4.79 0.00 2.88 2.91 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 0.00 118 K 8.44 4.45 0.00 1.64 1.69 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.24 7.81 119 R 8.34 4.16 0.00 1.78 1.62 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 120 G 8.66 3.33 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 0.00 121 P 0.00 4.43 0.00 1.95 2.21 0.00 3.09 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 122 R 8.34 4.51 0.00 1.70 1.91 0.00 3.27 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 123 T 7.37 5.32 4.30 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 1.37 0.00 0.00 124 H 7.98 4.74 0.00 3.39 3.53 0.00 5.49 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.64 3.87 0.00 3.11 2.94 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 0.00 126 G 8.95 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 0.00 127 Q 7.28 4.22 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 128 K 8.42 3.83 0.00 1.64 1.67 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.28 7.81 129 A 7.83 3.96 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 0.00 130 I 6.71 4.43 1.67 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.62 0.00 0.00 131 L 7.38 4.28 0.00 1.16 0.74 0.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.50 5.00 0.00 3.34 3.09 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 0.00 133 L 9.10 5.12 0.00 1.98 1.72 0.88 1.38 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 0.00 134 P 0.00 4.97 0.00 2.22 2.24 0.00 3.88 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 2.10 0.00 135 L 9.35 4.95 0.00 1.76 1.68 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.64 0.00 1.94 1.99 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 137 V 8.23 3.78 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.93 0.00 0.00