NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4138 8.1933 115.2883 58.0192 63.5260 173.6491 2 M 3.8407 8.7152 119.6656 57.8206 31.7409 176.6023 3 Q 4.0201 8.2508 117.2281 58.1796 30.0807 175.9910 4 D 4.5699 8.3731 116.5517 51.1934 43.1559 173.5060 5 P 4.4368 0.0000 0.0000 65.4413 31.7250 178.3104 6 I 3.8240 7.8178 119.0819 64.0761 37.0782 177.8992 7 A 3.9884 8.3855 121.4816 54.4491 18.0847 179.1454 8 D 4.1631 7.6062 115.7687 57.7485 41.3549 177.5181 9 M 4.0107 8.4640 118.8758 58.9692 32.1261 177.8070 10 L 3.9080 8.1158 118.8147 58.6052 41.9573 179.8365 11 T 3.9063 7.9636 112.3616 64.7284 67.3603 176.3701 12 R 3.9067 8.6766 121.6532 59.4353 29.9936 178.3358 13 I 3.6579 7.9335 119.5322 64.3329 37.1433 177.9592 14 R 3.8430 8.0306 119.3708 60.0833 29.8570 178.2492 15 N 4.5381 8.7692 116.2996 55.8670 38.4422 177.5607 16 G 3.6829 7.9547 107.0761 48.2022 0.0000 175.1210 17 Q 3.9746 8.5959 120.8569 58.9397 28.5844 179.9548 18 A 4.2352 7.6628 120.8717 54.7910 18.7198 179.0273 19 A 4.5609 7.8046 116.6000 51.6085 19.6374 176.7610 20 N 4.9340 9.0126 115.1715 54.2268 37.0775 174.5218 21 K 4.0163 8.3070 119.3936 56.7004 32.2472 176.6390 22 A 4.5904 8.5869 126.3039 52.5652 20.1042 176.2173 23 A 4.8229 7.8475 116.0931 49.9662 22.5726 175.9287 24 V 4.4772 8.3817 119.4537 61.6308 34.8752 174.3872 25 T 5.3905 8.8528 117.3121 58.8366 72.0375 173.2856 26 M 4.4521 7.7915 118.7370 54.2118 34.4243 172.8803 27 P 4.8215 0.0000 0.0000 62.8557 32.0211 175.5361 28 S 4.9462 8.8414 118.5778 57.0095 64.4990 173.2676 29 S 4.7659 8.2286 117.0023 55.3840 66.4759 174.8999 30 K 3.8237 8.8998 121.2306 59.9965 31.8955 179.2883 31 L 3.9912 7.8717 119.6733 57.7948 41.9462 178.6514 32 K 3.8600 7.9977 118.5586 60.3848 32.0162 178.4717 33 V 3.3378 7.9206 115.9776 66.4335 31.3529 177.6308 34 A 3.8796 8.2414 119.0417 55.4585 18.5607 179.9001 35 I 3.7300 7.7885 117.5047 64.5886 37.3004 178.1564 36 A 4.0266 8.2354 121.9134 55.4152 18.0322 178.8755 37 N 4.0900 8.4125 115.6485 57.0292 38.7087 177.2310 38 V 3.5677 7.1586 116.3608 66.0862 31.9454 177.2598 39 L 4.3249 8.0287 118.8165 58.3437 41.5134 179.4031 40 K 4.2305 8.6289 119.7036 59.1412 32.3970 178.7459 41 E 4.5428 8.6344 120.1701 55.7747 30.0732 177.3627 42 E 4.4410 8.6748 113.3046 56.5231 33.8477 176.7119 43 G 3.7810 8.1534 107.9194 45.1482 0.0000 174.5729 44 F 4.6203 7.8923 117.7914 59.1028 39.2654 175.0402 45 I 4.7089 7.2437 112.0726 59.1931 40.5341 174.7110 46 E 4.0463 9.6530 123.0281 58.1397 29.6991 176.3532 47 D 4.6277 7.3456 116.1664 52.6421 41.7151 176.9096 48 F 4.8456 8.9105 116.5411 57.0385 38.0115 173.3323 49 K 4.1088 8.3400 120.4189 55.4527 33.4842 174.2565 50 V 4.5638 7.8594 125.4216 60.0389 31.3532 175.5446 51 E 4.3826 8.3478 132.6557 55.4516 28.2895 175.6359 52 G 4.2499 7.4008 107.0758 44.1928 0.0000 168.6122 53 D 4.6849 8.0238 116.2157 53.7614 43.6713 176.9706 54 T 4.3261 7.8718 119.8304 62.6523 69.4871 175.2130 55 K 4.6468 7.4955 118.7486 53.9168 32.4292 173.8316 56 P 4.0965 0.0000 0.0000 62.5832 33.2843 176.2069 57 E 4.7407 8.7976 125.1034 53.9422 31.7223 174.3317 58 L 4.4370 8.6483 130.4570 55.0386 43.3950 175.2463 59 E 5.0333 9.4453 126.6242 54.4081 32.3397 174.6231 60 L 5.0342 8.9386 125.5109 53.3063 45.7217 175.5904 61 T 4.6192 8.6727 120.3761 61.9840 69.8433 174.8188 62 L 4.6354 8.1872 126.0980 54.5024 43.0939 176.6902 63 K 4.9256 8.5369 117.9026 55.1260 36.3421 175.5758 64 Y 4.8833 8.7519 120.5862 56.3773 42.8923 173.1294 65 F 5.3995 8.8474 125.7252 58.6284 38.7247 179.5489 66 Q 4.5550 8.7805 121.4456 55.4986 27.5819 176.5747 67 G 4.0655 8.6764 113.0531 46.3445 0.0000 172.6692 68 K 4.5113 7.6598 116.7449 54.6422 36.1157 175.8144 69 A 4.0507 8.0973 124.2143 51.4468 19.5453 177.5517 70 V 3.9000 7.5569 117.8502 64.6971 31.8893 176.7880 71 V 4.1089 7.3028 119.9940 60.5028 29.9400 174.1731 72 E 4.0917 8.4622 125.2630 58.5012 30.0343 177.2189 73 S 4.5595 7.4770 109.7977 57.8123 66.1515 174.1410 74 I 4.7393 8.1449 121.6984 60.2059 38.8869 173.3218 75 Q 4.5485 8.7778 126.8966 54.1165 31.0230 174.6079 76 R 4.2394 8.3466 122.7095 57.0808 31.2700 173.4681 77 V 3.6603 8.0889 124.5431 62.7942 32.1285 178.0022 78 S 4.0229 5.8100 108.7167 58.7958 63.1535 172.3772 79 R 4.7312 8.2683 122.9186 53.0919 32.3354 174.6228 80 P 4.2658 0.0000 0.0000 65.5083 31.3080 178.0613 81 G 3.6000 8.0476 106.8244 47.5424 0.0000 173.1506 82 L 4.3772 7.5558 116.4305 54.6006 44.1763 173.0451 83 R 4.0800 8.1993 123.0365 55.5018 30.9966 176.4428 84 I 4.2958 8.1174 121.5621 59.7851 40.6586 173.8507 85 Y 5.1077 8.4533 124.5294 56.0648 40.3881 175.4166 86 K 4.4561 8.9044 122.8093 54.8048 35.3735 176.7845 87 R 4.1579 8.9732 122.8593 56.2901 31.1233 177.7449 88 K 4.1716 7.5972 122.6903 58.0636 35.1155 177.0668 89 D 4.3976 8.3518 118.5646 56.3918 40.8065 177.0973 90 E 4.2517 8.0968 115.9357 56.5567 30.0071 176.2741 91 L 4.0322 7.6485 120.4926 53.9937 41.7011 175.1669 92 P 4.2574 0.0000 0.0000 62.2003 31.8084 175.9275 93 K 4.3994 8.2545 122.5336 54.4116 33.1137 175.9828 94 V 3.2626 8.0604 124.1487 64.5877 32.3364 175.7108 95 M 3.1867 9.3909 122.4706 57.8435 29.2703 177.0643 96 A 3.8280 8.6790 116.2819 51.8828 17.1290 176.6948 97 G 3.4660 7.9756 113.1391 46.8669 0.0000 175.3129 98 L 4.1008 7.3257 122.2839 55.0157 42.0739 177.4515 99 G 4.3121 9.0675 110.1109 45.8791 0.0000 172.0017 100 I 4.7009 8.0113 113.9703 58.9036 41.1883 174.2758 101 A 5.0518 8.5065 122.6062 49.1647 20.7045 174.6733 102 V 3.7395 8.4924 120.3719 64.7490 31.3152 175.4276 103 V 4.5987 8.7531 121.2837 59.6999 35.5764 174.6141 104 S 4.9224 9.3083 115.8541 57.2268 65.4985 172.9361 105 T 5.0694 9.0100 116.9471 59.3421 71.9297 175.0407 106 S 4.0787 8.9404 116.3330 60.7756 63.2422 175.3234 107 K 4.2974 7.3897 120.6135 54.4333 30.9241 175.7151 108 G 3.7439 7.7962 109.8942 44.6587 0.0000 170.3862 109 V 4.5875 8.0297 118.5518 61.3064 31.8916 174.6912 110 M 4.8191 8.0556 124.2600 53.1884 35.0805 174.8680 111 T 4.8206 8.0954 108.8533 61.2167 71.3634 175.2233 112 D 4.2957 8.3532 121.1879 57.3737 39.5648 177.7042 113 R 3.7197 8.2115 118.9989 59.8938 29.8654 177.2184 114 A 3.8036 8.3823 117.9511 55.8671 18.0741 179.0136 115 A 3.9406 8.4946 116.9147 55.2340 18.5456 179.7378 116 R 3.8605 8.6301 117.0367 59.8270 29.9709 178.4765 117 Q 3.9978 7.9189 116.3149 59.1034 28.9239 178.6101 118 A 4.3321 7.9667 117.7190 51.6421 18.3947 177.3664 119 G 3.9402 8.1763 105.9007 46.3912 0.0000 173.6344 120 L 4.8376 7.6662 117.5001 53.3855 43.5530 174.7520 121 G 4.6488 7.3993 105.2497 43.9447 0.0000 171.4414 122 G 4.7725 7.8194 103.3813 46.9208 0.0000 172.3944 123 E 4.9751 8.7467 120.9720 56.0973 31.5942 177.0933 124 I 4.5504 7.9620 120.3419 58.7194 36.8636 175.6105 125 I 3.9033 7.9004 132.2581 64.5844 37.7721 174.7816 126 C 4.9480 7.8008 113.3287 57.9688 33.4594 171.9994 127 Y 5.0679 8.4858 117.6012 56.6412 40.0784 175.2994 128 V 4.7647 8.7495 121.2969 61.3419 36.0613 174.9917 129 A 4.3665 8.2934 126.3738 52.3650 19.4336 176.0140 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 S 8.19 4.41 0.00 3.86 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 2 M 8.72 3.84 0.00 2.12 2.14 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 2.61 2.62 0.00 3 Q 8.25 4.02 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 4 D 8.37 4.57 0.00 2.65 2.47 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 5 P 0.00 4.44 0.00 2.30 2.28 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 6 I 7.82 3.82 1.85 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 1.56 0.91 0.90 0.00 0.00 7 A 8.39 3.99 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 8 D 7.61 4.16 0.00 2.85 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 9 M 8.46 4.01 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 10 L 8.12 3.91 0.00 1.86 1.70 0.87 0.91 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 11 T 7.96 3.91 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 1.30 0.00 0.00 12 R 8.68 3.91 0.00 2.14 1.97 0.00 3.41 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 13 I 7.93 3.66 2.08 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 1.42 0.67 0.90 0.00 0.00 14 R 8.03 3.84 0.00 1.84 2.02 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 15 N 8.77 4.54 0.00 2.82 2.85 0.00 0.00 6.97 7.45 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 16 G 7.95 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.60 3.97 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 18 A 7.66 4.24 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 19 A 7.80 4.56 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 20 N 9.01 4.93 0.00 2.80 2.89 0.00 0.00 6.90 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.31 4.02 0.00 1.94 1.78 0.00 1.82 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.56 7.81 22 A 8.59 4.59 1.19 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 0.00 0.00 23 A 7.85 4.82 1.19 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 0.00 0.00 24 V 8.38 4.48 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 1.07 0.00 0.00 0.97 0.00 0.00 25 T 8.85 5.39 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 26 M 7.79 4.45 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 27 P 0.00 4.82 0.00 1.96 2.07 0.00 3.72 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 28 S 8.84 4.95 0.00 4.00 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 29 S 8.23 4.77 0.00 3.97 3.88 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 30 K 8.90 3.82 0.00 1.78 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.46 7.81 31 L 7.87 3.99 0.00 1.75 1.66 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.00 3.86 0.00 2.14 1.87 0.00 1.92 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 V 7.92 3.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 34 A 8.24 3.88 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 35 I 7.79 3.73 2.07 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 1.46 0.97 0.92 0.00 0.00 36 A 8.24 4.03 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 37 N 8.41 4.09 0.00 2.59 3.03 0.00 0.00 6.84 7.39 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 38 V 7.16 3.57 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 0.97 0.00 0.00 0.95 0.00 0.00 39 L 8.03 4.32 0.00 2.00 1.86 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.63 4.23 0.00 1.98 2.04 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.70 7.81 41 E 8.63 4.54 0.00 2.05 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 2.32 2.38 0.00 42 E 8.67 4.44 0.00 2.07 1.78 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 2.36 2.47 0.00 43 G 8.15 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 0.00 0.00 0.00 44 F 7.89 4.62 0.00 3.28 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.24 4.71 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.99 0.00 0.00 46 E 9.65 4.05 0.00 1.95 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 0.00 2.32 2.25 0.00 47 D 7.35 4.63 0.00 2.76 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 48 F 8.91 4.85 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 49 K 8.34 4.11 0.00 1.97 2.13 0.00 1.54 0.00 0.00 1.96 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 0.78 7.81 50 V 7.86 4.56 2.20 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 0.88 0.00 0.00 0.98 0.00 0.00 51 E 8.35 4.38 0.00 2.01 1.96 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 2.30 2.28 0.00 52 G 7.40 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 0.00 0.00 0.00 0.00 53 D 8.02 4.68 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.87 4.33 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 55 K 7.50 4.65 0.00 1.74 1.71 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 P 0.00 4.10 0.00 2.08 2.04 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 57 E 8.80 4.74 0.00 2.06 1.82 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 2.26 2.33 0.00 58 L 8.65 4.44 0.00 1.79 1.67 0.99 0.91 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 59 E 9.45 5.03 0.00 1.92 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 2.38 2.40 0.00 60 L 8.94 5.03 0.00 1.63 1.56 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.67 4.62 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 62 L 8.19 4.64 0.00 1.84 1.90 0.96 0.89 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 63 K 8.54 4.93 0.00 1.68 1.68 0.00 1.80 0.00 0.00 2.02 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.47 7.81 64 Y 8.75 4.88 0.00 2.99 2.90 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 65 F 8.85 5.40 0.00 2.91 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.78 4.56 0.00 1.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 67 G 8.68 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.66 4.51 0.00 1.83 1.68 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 69 A 8.10 4.05 0.75 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 70 V 7.56 3.90 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 0.86 0.00 0.00 0.91 0.00 0.00 71 V 7.30 4.11 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 0.66 0.00 0.00 0.94 0.00 0.00 72 E 8.46 4.09 0.00 1.99 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 2.35 2.34 0.00 73 S 7.48 4.56 0.00 3.87 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 74 I 8.14 4.74 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.85 0.00 0.00 75 Q 8.78 4.55 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 76 R 8.35 4.24 0.00 1.75 1.73 0.00 3.43 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 77 V 8.09 3.66 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 0.49 0.00 0.00 -0.03 0.00 0.00 78 S 5.81 4.02 0.00 3.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.27 4.73 0.00 1.96 1.92 0.00 2.78 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 80 P 0.00 4.27 0.00 2.19 2.22 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 81 G 8.05 3.60 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 0.00 0.00 0.00 82 L 7.56 4.38 0.00 1.56 1.44 0.86 0.72 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 83 R 8.20 4.08 0.00 1.62 1.26 0.00 3.34 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 84 I 8.12 4.30 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.42 0.83 0.00 0.00 85 Y 8.45 5.11 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.46 0.00 1.78 1.72 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 87 R 8.97 4.16 0.00 1.85 1.89 0.00 3.20 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 88 K 7.60 4.17 0.00 1.89 1.99 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.29 7.81 89 D 8.35 4.40 0.00 2.68 2.78 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 90 E 8.10 4.25 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 91 L 7.65 4.03 0.00 1.91 1.65 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.26 0.00 2.07 2.14 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 93 K 8.25 4.40 0.00 1.80 1.82 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.34 7.81 94 V 8.06 3.26 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 0.93 0.00 0.00 0.48 0.00 0.00 95 M 9.39 3.19 0.00 2.19 2.45 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 96 A 8.68 3.83 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.98 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 98 L 7.33 4.10 0.00 1.63 1.63 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 99 G 9.07 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.01 4.70 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 0.99 0.00 0.00 101 A 8.51 5.05 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 0.00 102 V 8.49 3.74 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 0.99 0.00 0.00 0.96 0.00 0.00 103 V 8.75 4.60 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 0.86 0.00 0.00 1.06 0.00 0.00 104 S 9.31 4.92 0.00 3.82 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 0.00 105 T 9.01 5.07 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 0.00 106 S 8.94 4.08 0.00 3.98 4.05 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 0.00 0.00 0.00 107 K 7.39 4.30 0.00 1.88 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.34 7.81 108 G 7.80 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 0.00 109 V 8.03 4.59 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 0.98 0.00 0.00 0.93 0.00 0.00 110 M 8.06 4.82 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 111 T 8.10 4.82 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 1.26 0.00 0.00 112 D 8.35 4.30 0.00 3.04 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 0.00 113 R 8.21 3.72 0.00 1.90 1.94 0.00 3.21 0.00 0.00 3.33 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 114 A 8.38 3.80 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 0.00 115 A 8.49 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.63 3.86 0.00 2.09 2.07 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 117 Q 7.92 4.00 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 118 A 7.97 4.33 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.18 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 0.00 120 L 7.67 4.84 0.00 1.69 1.61 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.40 4.65 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 0.00 0.00 0.00 122 G 7.82 4.77 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 0.00 0.00 0.00 123 E 8.75 4.98 0.00 2.67 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 124 I 7.96 4.55 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.99 0.00 0.00 125 I 7.90 3.90 1.88 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 0.95 0.90 0.00 0.00 126 C 7.80 4.95 0.00 3.16 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 0.00 127 Y 8.49 5.07 0.00 2.80 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 0.00 128 V 8.75 4.76 1.59 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 0.11 0.00 0.00 0.80 0.00 0.00 129 A 8.29 4.37 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