NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8597 8.3544 109.7374 45.5647 0.0000 173.3363 2 S 4.1957 8.3213 113.7986 55.6181 64.1141 171.6438 3 S 4.5159 8.6828 122.4534 55.9842 65.6213 173.8886 4 G 3.9323 8.6906 117.0021 45.7720 0.0000 171.0883 5 S 4.7584 8.1333 114.0366 56.2935 66.5841 173.7018 6 S 4.2174 8.4360 117.7473 59.8089 62.7363 174.2304 7 G 3.7935 8.7799 111.1833 44.3127 0.0000 171.9873 8 N 4.7052 8.2208 115.6326 52.1568 39.4867 175.5661 9 K 4.3696 8.2690 120.3813 56.1864 34.0691 177.2241 10 I 3.8075 8.4486 121.8432 64.8337 37.2100 177.3167 11 T 3.9111 7.8984 116.0880 63.6872 68.5436 173.3222 12 N 4.8928 8.6757 123.5168 51.6049 41.0923 173.7037 13 L 4.5156 8.2091 123.1476 55.5069 43.9338 178.4273 14 E 4.2270 8.5130 115.8381 59.4080 29.2961 178.1830 15 I 3.5267 7.6118 111.5954 63.7974 37.3596 175.6980 16 Y 4.2924 7.4235 117.8806 57.1049 39.0525 174.2876 17 E 4.3535 8.0128 116.1022 57.7027 31.5779 177.5296 18 W 4.9667 7.4045 114.7441 57.5927 29.0140 175.4038 19 Y 5.4830 7.2020 123.1052 56.9495 37.0487 172.7664 20 H 4.3313 9.2468 119.8773 54.7562 29.2815 174.8108 21 R 4.3251 7.7778 119.6658 55.1021 31.4524 175.3479 22 N 4.1610 7.9091 113.5157 54.6600 36.1618 173.6817 23 I 4.6816 7.5306 108.9824 58.8151 41.4137 173.9541 24 T 4.6960 7.7582 112.6834 59.3743 71.8279 174.0253 25 R 3.7890 8.3070 122.7420 59.6344 30.2262 177.3962 26 N 4.2731 8.2944 115.5839 56.8327 38.6053 176.8178 27 Q 3.9304 8.1422 118.0650 59.1952 28.7178 178.3534 28 A 3.9140 8.1722 121.0023 55.9928 18.3859 179.2973 29 E 3.9161 8.5816 115.7236 59.7505 29.7922 179.0288 30 H 3.9316 8.7501 118.3520 59.5032 29.9099 176.5575 31 L 3.9116 8.3824 120.8208 58.0109 41.4792 179.6840 32 L 3.8561 7.5615 118.2872 57.9505 41.3861 179.5137 33 R 3.7756 8.0573 116.9686 59.6459 30.0620 178.5776 34 Q 4.0015 7.4424 115.9320 58.9825 28.7754 178.6341 35 E 3.7844 7.2544 117.9288 58.1831 30.2676 178.0672 36 S 2.0000 7.3417 111.7455 57.6705 62.7232 172.8315 37 K 4.4388 6.8758 117.7594 55.9200 35.2196 174.8085 38 E 4.7424 8.5944 123.4234 56.8788 29.7359 175.0878 39 G 3.8936 9.8472 118.0283 45.9896 0.0000 172.2162 40 A 5.0220 8.6779 124.5596 51.6310 19.4703 176.7364 41 F 6.1307 8.8243 115.2995 55.3269 42.3888 173.5647 42 I 4.5514 8.1374 111.1777 60.4402 41.1336 173.1780 43 V 5.2630 9.0808 121.6627 61.5317 34.7575 174.2214 44 R 5.4332 9.2078 123.2450 53.5587 33.4659 173.7862 45 D 5.1472 8.7120 118.3579 53.4521 42.9751 177.3486 46 S 4.4568 8.5167 116.7669 56.7198 61.6429 174.5258 47 R 3.7921 8.6302 127.5880 59.4130 30.3615 177.3137 48 H 4.3124 8.3062 116.5659 58.3638 30.0609 174.3119 49 L 4.7282 7.7106 117.9527 52.6661 45.3551 176.3807 50 G 3.7855 8.3825 109.4832 45.8779 0.0000 172.7249 51 S 4.6533 7.4926 115.6833 56.5964 67.0568 173.4047 52 Y 5.3997 8.1055 116.1551 56.9717 41.8390 174.9764 53 T 5.1538 9.2959 119.9286 61.8957 72.4024 172.9140 54 I 5.4323 8.6901 126.1625 59.3591 39.5096 174.5738 55 S 5.1316 8.8180 122.0602 56.1527 63.8274 172.7248 56 V 5.0245 8.1227 127.0260 61.1934 34.8745 174.0486 57 F 4.9676 8.9268 127.8104 57.2143 39.9440 176.0815 58 M 3.9257 8.8591 127.9038 56.1046 32.6114 174.5765 59 G 3.4732 6.7016 112.7274 44.1104 0.0000 173.0841 60 A 4.0159 7.8528 125.7714 52.2217 18.6425 177.9390 61 R 4.1231 8.2535 117.0874 59.4652 30.4236 179.4879 62 R 4.2959 7.7598 115.4382 59.1017 30.6255 176.8011 63 S 3.7848 7.7171 109.1031 60.3039 60.6269 173.3087 64 T 4.4364 7.9203 117.4116 63.8504 70.6100 173.8110 65 E 4.9425 7.8418 118.7829 54.6124 34.1904 174.0114 66 A 5.2399 8.6419 120.3542 50.6855 22.1778 176.1400 67 A 4.4736 7.1194 120.5193 50.3632 22.6875 175.2139 68 I 4.8574 8.2153 122.5253 59.5254 40.6027 175.3324 69 K 4.3671 8.7995 126.2987 55.1720 35.0984 175.5001 70 H 4.7542 8.0902 117.4682 54.5688 31.7713 173.2850 71 Y 4.7356 8.4552 123.5843 56.3003 38.7225 175.0104 72 Q 4.4028 8.7139 126.6042 55.9734 30.0227 175.3940 73 I 4.3950 8.6353 128.4539 60.8251 37.7507 175.7971 74 K 4.5807 8.1556 127.5630 54.7486 34.8974 175.3509 75 K 5.1924 8.3687 121.1140 53.7039 35.2228 175.3609 76 N 4.9700 8.4281 123.6809 50.8863 39.7393 175.0358 77 D 4.3418 8.6556 116.8878 56.8458 39.1223 177.5222 78 S 4.3855 9.0648 113.8799 57.6955 62.5677 174.0649 79 G 3.8551 7.8821 108.4447 46.9393 0.0000 173.7016 80 Q 4.7892 7.4210 115.8429 52.4734 32.2823 175.9421 81 W 5.1153 8.6954 123.4538 56.8256 30.7327 174.8236 82 Y 5.3653 8.6281 121.0912 56.2586 40.6836 175.4446 83 V 4.0883 9.0045 120.6936 64.5328 33.2976 176.2072 84 A 4.3878 8.1707 120.0907 51.2410 18.6679 176.5683 85 E 2.9750 8.5329 115.2357 57.1742 28.2224 175.4572 86 R 4.2811 7.7239 113.3882 55.7103 32.8835 174.9761 87 H 4.7050 8.2870 113.6996 53.9039 30.7766 173.2799 88 A 5.1055 8.4660 125.4028 50.6920 20.6392 175.8283 89 F 4.9447 9.3173 120.2500 56.1660 42.3365 175.7474 90 Q 4.5784 9.1903 116.0897 56.7788 30.4596 176.2575 91 S 5.0074 7.9240 112.4314 56.5154 66.8821 174.8172 92 I 3.4154 8.5266 124.3474 64.0633 36.8062 176.4882 93 P 4.3761 0.0000 0.0000 63.9789 31.6974 177.0369 94 E 4.3872 8.0359 119.5736 58.5039 30.2229 177.8339 95 L 2.0000 6.9850 119.1835 56.9266 42.0777 178.7315 96 I 3.6572 6.9746 118.1730 62.3110 37.0156 177.5495 97 W 4.4577 7.3028 128.7993 60.6435 30.6952 177.0485 98 Y 3.8165 7.8831 115.5335 61.2199 37.7301 177.4663 99 H 4.3538 7.5652 117.2861 59.0730 28.5524 177.0223 100 Q 3.7982 7.4097 118.1814 59.6892 28.6513 179.0838 101 H 4.4660 8.3711 115.9335 57.2719 29.1005 175.6162 102 N 4.4646 8.0711 119.1112 51.9330 37.8821 174.4346 103 A 3.3436 7.8486 124.4270 52.7020 19.0917 177.0898 104 A 3.5272 8.1557 117.0911 52.7127 16.2958 178.3455 105 G 4.1205 8.2098 100.8504 49.5250 0.0000 174.0696 106 L 3.5813 7.6043 114.8609 56.3259 41.2763 173.4741 107 M 4.7484 7.4811 115.5354 53.0632 35.5450 174.3625 108 T 3.8678 8.3085 118.3127 61.7878 68.0844 174.3932 109 R 3.9279 8.4968 127.7809 55.8498 29.0996 175.4322 110 L 3.8483 7.7914 123.8365 54.5703 41.8989 176.4511 111 R 4.2473 8.9788 120.7865 57.7199 32.5015 176.5488 112 Y 4.5401 8.0097 121.7382 55.5680 38.3668 172.6065 113 P 4.4180 0.0000 0.0000 61.3661 29.5172 173.8775 114 V 3.4669 7.8547 124.8643 64.6161 32.5798 175.0813 115 G 4.2341 8.5635 114.6746 44.6034 0.0000 173.1036 116 L 3.7111 8.1768 120.8989 57.9858 41.5855 179.7343 117 M 4.2600 7.7113 120.3404 54.4124 29.3947 176.1215 118 G 3.7512 8.0994 115.4856 45.7699 0.0000 170.7147 119 S 4.0942 8.1020 114.0295 58.6954 62.9648 173.7001 120 S 4.5660 7.4317 112.8826 57.9614 64.9359 175.9604 121 G 4.1120 8.2815 113.1074 43.7429 0.0000 171.4684 122 P 4.4896 0.0000 0.0000 62.3463 32.2400 175.4777 123 S 4.7181 8.0934 113.2683 56.0760 64.8755 173.8982 124 S 4.0873 8.4461 117.3628 58.8186 62.6423 174.4804 125 G 4.0397 8.7743 110.4420 45.8692 0.0000 173.9062 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.32 4.20 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.68 4.52 0.00 3.81 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 4 G 8.69 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.13 4.76 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.44 4.22 0.00 3.87 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 7 G 8.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.22 4.71 0.00 2.73 2.75 0.00 0.00 6.84 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.27 4.37 0.00 1.91 1.84 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.61 7.81 10 I 8.45 3.81 1.91 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 1.43 0.56 0.93 0.00 0.00 11 T 7.90 3.91 4.28 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 1.16 0.00 0.00 12 N 8.68 4.89 0.00 2.52 2.57 0.00 0.00 6.89 7.81 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 13 L 8.21 4.52 0.00 0.27 0.47 -0.35 0.74 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 14 E 8.51 4.23 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 2.28 2.28 0.00 15 I 7.61 3.53 1.49 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 0.71 0.00 0.00 16 Y 7.42 4.29 0.00 1.94 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.01 4.35 0.00 2.04 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 0.00 2.25 2.28 0.00 18 W 7.40 4.97 0.00 3.28 3.18 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 0.00 0.00 0.00 0.00 19 Y 7.20 5.48 0.00 2.30 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 20 H 9.25 4.33 0.00 3.12 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.78 4.33 0.00 1.72 0.95 0.00 3.15 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 1.13 1.44 0.00 22 N 7.91 4.16 0.00 3.01 2.92 0.00 0.00 6.70 7.32 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 23 I 7.53 4.68 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.98 0.00 0.00 24 T 7.76 4.70 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 1.28 0.00 0.00 25 R 8.31 3.79 0.00 1.90 1.91 0.00 3.17 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 26 N 8.29 4.27 0.00 2.84 2.88 0.00 0.00 6.98 7.74 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 27 Q 8.14 3.93 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 28 A 8.17 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.58 3.92 0.00 2.09 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 2.40 2.44 0.00 30 H 8.75 3.93 0.00 3.26 3.55 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.38 3.91 0.00 1.82 1.62 0.69 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.56 3.86 0.00 1.84 1.81 1.00 1.39 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 33 R 8.06 3.78 0.00 1.85 1.96 0.00 3.40 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 34 Q 7.44 4.00 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 35 E 7.25 3.78 0.00 1.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 36 S 7.34 2.00 0.00 3.87 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 37 K 6.88 4.44 0.00 1.61 1.65 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.60 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.02 0.93 7.81 38 E 8.59 4.74 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 39 G 9.85 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 40 A 8.68 5.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.82 6.13 0.00 3.21 3.36 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 42 I 8.14 4.55 1.91 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 1.39 0.51 0.81 0.00 0.00 43 V 9.08 5.26 2.86 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 1.28 0.00 0.00 1.13 0.00 0.00 44 R 9.21 5.43 0.00 1.93 2.07 0.00 3.13 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 45 D 8.71 5.15 0.00 2.60 2.55 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 0.00 0.00 0.00 0.00 46 S 8.52 4.46 0.00 3.91 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 47 R 8.63 3.79 0.00 1.79 1.99 0.00 3.34 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 48 H 8.31 4.31 0.00 3.15 3.31 0.00 5.72 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 49 L 7.71 4.73 0.00 1.19 1.43 0.82 1.00 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 50 G 8.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.49 4.65 0.00 3.76 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 52 Y 8.11 5.40 0.00 2.68 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 53 T 9.30 5.15 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 1.33 0.00 0.00 54 I 8.69 5.43 2.13 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 1.16 0.00 0.00 55 S 8.82 5.13 0.00 3.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.12 5.02 2.24 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 1.14 0.00 0.00 1.22 0.00 0.00 57 F 8.93 4.97 0.00 3.19 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 M 8.86 3.93 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 59 G 6.70 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 60 A 7.85 4.02 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 61 R 8.25 4.12 0.00 1.81 1.97 0.00 3.37 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 62 R 7.76 4.30 0.00 1.80 1.95 0.00 3.48 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 63 S 7.72 3.78 0.00 3.95 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 64 T 7.92 4.44 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 1.22 0.00 0.00 65 E 7.84 4.94 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 66 A 8.64 5.24 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.12 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.22 4.86 1.87 0.00 0.00 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 1.63 0.88 0.86 0.00 0.00 69 K 8.80 4.37 0.00 1.43 0.95 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.38 7.81 70 H 8.09 4.75 0.00 2.92 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.46 4.74 0.00 2.97 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 72 Q 8.71 4.40 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.06 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 73 I 8.64 4.39 2.08 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 1.29 0.96 1.08 0.00 0.00 74 K 8.16 4.58 0.00 1.23 1.57 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.45 7.81 75 K 8.37 5.19 0.00 0.79 1.26 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.95 0.93 7.81 76 N 8.43 4.97 0.00 3.07 3.23 0.00 0.00 6.21 8.08 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 77 D 8.66 4.34 0.00 2.77 2.86 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 78 S 9.06 4.39 0.00 4.04 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 79 G 7.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.42 4.79 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 81 W 8.70 5.12 0.00 3.41 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 82 Y 8.63 5.37 0.00 3.19 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 83 V 9.00 4.09 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 0.79 0.00 0.00 0.98 0.00 0.00 84 A 8.17 4.39 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 85 E 8.53 2.98 0.00 2.04 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 1.96 1.63 0.00 86 R 7.72 4.28 0.00 1.81 1.79 0.00 3.23 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 87 H 8.29 4.70 0.00 3.08 3.11 0.00 5.68 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 88 A 8.47 5.11 1.37 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 89 F 9.32 4.94 0.00 3.18 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 90 Q 9.19 4.58 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 91 S 7.92 5.01 0.00 3.91 3.77 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 92 I 8.53 3.42 1.51 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.42 0.48 0.00 0.00 93 P 0.00 4.38 0.00 2.26 2.38 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 94 E 8.04 4.39 0.00 2.32 2.33 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 2.35 2.38 0.00 95 L 6.98 2.00 0.00 1.29 1.39 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 I 6.97 3.66 1.13 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 0.99 0.28 0.23 0.00 0.00 97 W 7.30 4.46 0.00 3.34 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 98 Y 7.88 3.82 0.00 3.22 2.92 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 99 H 7.57 4.35 0.00 3.01 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.41 3.80 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.21 0.00 0.00 0.00 0.00 0.00 2.10 2.47 0.00 101 H 8.37 4.47 0.00 3.02 3.25 0.00 5.67 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 0.00 102 N 8.07 4.46 0.00 2.78 2.87 0.00 0.00 6.82 8.22 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 0.00 103 A 7.85 3.34 1.16 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 0.00 0.00 104 A 8.16 3.53 1.26 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 0.00 0.00 105 G 8.21 4.12 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 0.00 0.00 0.00 106 L 7.60 3.58 0.00 1.64 1.75 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 107 M 7.48 4.75 0.00 1.76 1.57 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.44 0.00 108 T 8.31 3.87 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 1.31 0.00 0.00 109 R 8.50 3.93 0.00 1.76 1.83 0.00 3.26 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 110 L 7.79 3.85 0.00 1.65 1.41 -0.78 0.72 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 0.00 111 R 8.98 4.25 0.00 1.47 1.43 0.00 3.41 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.00 112 Y 8.01 4.54 0.00 2.99 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 0.00 113 P 0.00 4.42 0.00 2.22 2.43 0.00 3.87 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 2.09 2.12 0.00 114 V 7.85 3.47 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 0.81 0.00 0.00 0.96 0.00 0.00 115 G 8.56 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 0.00 0.00 0.00 0.00 116 L 8.18 3.71 0.00 1.50 1.65 0.70 0.57 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 0.00 117 M 7.71 4.26 0.00 2.09 2.10 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 2.55 2.50 0.00 118 G 8.10 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 0.00 0.00 0.00 119 S 8.10 4.09 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.43 4.57 0.00 3.78 3.62 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 0.00 121 G 8.28 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 0.00 122 P 0.00 4.49 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 123 S 8.09 4.72 0.00 3.98 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 0.00 124 S 8.45 4.09 0.00 3.85 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 0.00 125 G 8.77 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 0.00 0.00 0.00 0.00