NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7917 8.4293 116.3341 54.8613 30.7159 172.8739 2 M 4.4668 8.8364 116.5741 51.8528 33.5350 172.7702 3 G 4.1798 8.4544 119.1666 45.7887 0.0000 171.8249 4 A 4.0528 8.4138 133.5190 50.8638 22.9981 172.7999 5 R 3.4402 8.6785 120.5992 56.3912 27.2904 173.6830 6 A 3.7894 8.0862 126.3310 52.0407 17.8261 179.8257 7 S 4.3733 7.2934 111.7647 56.7378 65.2372 173.6581 8 V 3.5176 8.0352 118.4582 66.1487 31.5134 178.2337 9 L 4.3434 7.2381 119.2132 54.0091 43.8372 175.7278 10 S 4.8217 8.1615 114.5932 57.5492 66.7785 174.1150 11 G 3.6843 8.5526 107.0988 48.3044 0.0000 175.8093 12 G 3.6360 8.0041 108.3029 47.5884 0.0000 175.5206 13 E 4.1883 8.1870 121.2590 58.2221 29.4287 178.9059 14 L 4.0869 8.0227 121.2415 58.3453 42.0191 178.4019 15 D 4.4710 7.9920 117.2521 56.5745 41.2323 177.5598 16 K 4.2141 7.9322 119.1111 58.3863 32.6815 177.7815 17 W 4.0819 8.3988 128.0656 58.7095 30.4133 175.7880 18 E 4.8236 7.6912 118.7374 56.3034 29.7390 176.1775 19 K 4.6378 6.8787 113.0292 55.7724 35.5081 174.0631 20 I 4.0364 7.2388 120.7743 59.1661 38.6918 176.0125 21 R 4.0901 8.8291 129.5159 56.6710 30.4268 176.9781 22 L 4.2162 8.9104 127.3996 56.7639 42.0026 177.6702 23 R 4.6604 7.7146 114.5321 53.1988 32.4168 172.5999 24 P 4.9422 0.0000 0.0000 61.5817 28.8682 175.7560 25 G 4.0872 8.4262 111.2297 46.4088 0.0000 172.3428 26 G 3.6520 7.8106 108.0285 45.4380 0.0000 174.9515 27 K 4.3460 8.2401 124.8845 56.4863 31.7605 176.5003 28 K 4.3797 7.6376 117.4795 56.5500 33.2469 175.4289 29 Q 4.9222 8.3884 119.7696 54.2071 31.8694 174.7723 30 Y 4.4705 9.0777 119.4795 58.6036 39.2594 175.1827 31 K 5.0989 7.6040 122.4828 53.7031 36.4010 176.5271 32 L 3.9945 8.8705 122.4869 57.6258 41.8895 178.4203 33 K 3.8773 8.2636 119.3334 59.5169 32.0326 177.6994 34 H 4.6983 9.0265 116.5108 57.4858 29.0404 177.3645 35 I 3.7677 8.0641 120.3612 64.2471 37.8262 177.9566 36 V 3.5606 8.6140 119.5745 65.4560 31.2050 177.6492 37 W 3.9548 8.3026 127.9301 60.5049 30.5019 177.4887 38 A 3.4054 8.4413 120.9338 55.1578 17.9791 179.7036 39 S 3.7390 8.7271 112.1999 61.4848 62.9156 175.8842 40 R 3.8528 7.9155 123.1885 58.8613 29.5617 178.1135 41 E 3.7494 8.2853 119.9277 59.7399 29.7621 178.2537 42 L 3.8781 8.3758 121.8023 57.7108 42.0366 178.1629 43 E 4.2910 8.5373 121.4611 57.9287 29.6698 178.4194 44 R 4.4007 7.7801 116.4511 56.9973 30.7087 177.5039 45 F 3.9208 8.4177 117.2735 58.9272 39.0118 175.3391 46 A 4.4263 7.4409 117.7387 52.1459 22.3409 175.4152 47 V 4.5154 7.6205 117.7236 61.2771 34.7725 173.5545 48 N 5.2272 8.2868 119.5112 50.5124 42.5210 172.5813 49 P 4.4129 0.0000 0.0000 66.2478 31.7204 179.2391 50 G 3.7699 8.0608 105.6748 46.6484 0.0000 175.1005 51 L 3.9983 8.3795 122.6123 57.1658 40.4776 177.6993 52 L 4.4922 8.1305 118.6790 54.9023 42.3513 177.3841 53 E 3.9310 7.8602 118.9742 58.6622 30.1890 176.6442 54 T 4.3032 6.6940 107.4554 59.8788 70.5798 175.8469 55 S 3.7047 8.3728 120.7678 61.1498 62.5689 176.7252 56 E 4.0653 8.0633 122.1252 59.1470 29.5402 178.8751 57 G 4.0805 7.7757 106.6635 47.4985 0.0000 175.3773 58 C 4.4876 8.6574 121.5252 61.5272 31.4328 175.7247 59 R 4.0869 8.7302 121.1666 59.5827 30.0149 178.0979 60 Q 4.1145 8.4324 119.2356 58.7942 28.9224 177.8639 61 I 3.9251 8.4282 121.7035 64.0076 37.5405 177.7428 62 L 4.2881 8.9743 121.8024 57.4788 41.6529 179.3828 63 G 3.5812 7.9618 105.3390 48.0302 0.0000 175.5981 64 Q 4.1330 8.1967 122.3354 57.4985 29.0070 177.3975 65 L 4.5016 7.9882 120.5903 56.7398 42.8590 178.1413 66 Q 3.6578 7.8752 117.1108 58.2000 29.0291 176.3618 67 P 4.5877 0.0000 0.0000 65.5506 31.0897 177.8898 68 S 4.6983 7.4661 112.9254 58.3197 62.7245 176.1608 69 L 4.1172 8.0992 124.0310 57.4471 41.3054 178.9042 70 Q 4.1572 8.2309 117.5198 58.3600 28.3136 177.6930 71 T 4.4832 8.0409 109.8968 61.2854 70.0983 174.7073 72 G 4.0826 7.1053 111.0063 44.5181 0.0000 173.6224 73 S 4.7043 7.3577 110.0583 55.7997 65.4721 178.2171 74 E 4.0502 8.3921 121.0534 58.5508 29.2396 178.3365 75 E 4.5658 7.8103 116.0150 56.9854 30.4233 177.6771 76 L 3.8672 8.2239 122.4329 57.8751 42.0468 178.5302 77 R 4.1011 7.9540 118.5940 59.2096 30.2212 178.1817 78 S 4.8563 8.2525 114.6373 60.8156 62.3694 175.8253 79 L 4.1735 8.2216 122.9438 58.0959 41.6809 178.2795 80 Y 4.0250 8.0593 119.9581 60.4753 38.9714 177.1628 81 N 4.5103 9.2682 118.3489 56.0126 37.3749 176.6723 82 T 4.6191 8.0390 116.7872 65.3161 68.8255 177.2032 83 I 3.8187 7.7565 122.2478 64.3138 37.1436 178.0889 84 A 3.9831 8.3808 121.4226 54.6958 18.1233 179.1753 85 V 3.5815 8.0623 117.7649 66.1125 31.5741 177.7677 86 L 4.4705 8.7657 120.3026 57.9212 41.9521 178.8393 87 Y 3.4712 8.8000 120.3742 60.7091 38.6453 176.9449 88 C 4.1913 8.4142 119.7953 62.2751 31.4272 175.8590 89 V 4.3931 8.1681 121.5937 65.7763 31.1067 177.8399 90 H 4.2557 8.2319 114.9037 58.7973 28.4805 177.2854 91 Q 4.0701 8.1987 120.8625 56.8501 29.0377 176.8423 92 R 4.9130 7.2528 128.2380 57.4617 32.7044 175.0616 93 I 3.8901 6.9856 119.5234 61.3173 37.6318 174.8178 94 D 5.2438 8.4061 122.5923 51.6832 41.9398 175.0609 95 V 4.5685 7.8560 112.4865 59.8633 36.1102 175.2371 96 K 4.2588 8.3083 115.3186 56.7414 35.1000 175.6774 97 D 5.6448 7.3514 117.8458 51.0577 45.2583 176.8276 98 T 3.5426 7.7199 119.1938 66.7422 68.6162 177.2785 99 K 4.1203 8.3391 120.2373 59.0472 32.0193 179.1327 100 E 3.8718 8.1667 119.3926 59.0057 29.6605 178.3855 101 A 3.9574 7.7407 120.7649 55.2463 18.5976 179.3101 102 L 4.2169 8.4245 116.3070 56.3099 41.7093 178.9383 103 D 4.2793 8.0590 119.3800 57.0724 41.3206 177.9007 104 K 3.9226 7.9238 119.9151 59.4133 32.0261 178.3186 105 I 3.9462 8.1905 119.5969 63.0153 37.1391 177.6820 106 E 4.0238 7.9411 119.8519 58.4361 29.5030 176.9047 107 E 4.4450 7.9668 118.5522 55.8029 30.4940 176.0733 108 E 3.7053 8.3693 115.4236 55.7453 28.8869 174.5920 109 Q 3.8532 8.5180 112.3771 56.7598 27.9001 173.2288 110 N 4.7570 7.9635 113.4440 52.9287 39.0939 174.1631 111 K 4.3158 7.7375 115.3922 56.6096 37.0903 168.7406 112 S 3.8713 9.0429 121.7467 57.6885 63.1262 170.4981 113 K 4.2655 7.6254 126.5304 56.1365 33.7407 171.8197 114 K 4.2040 7.8033 122.3563 52.5226 35.2064 176.7071 115 K 3.8536 8.2790 123.3633 55.9348 32.6819 173.3582 116 A 4.3581 8.0321 125.9212 48.3656 26.3000 178.0358 117 Q 3.7379 8.7411 117.4208 54.6002 28.7840 171.9357 118 Q 4.3632 8.3297 121.2692 52.7106 36.8695 173.4382 119 A 3.5806 8.3996 123.7670 51.4467 18.9365 177.6637 120 A 4.0544 8.5569 115.2490 52.1490 20.6259 174.0793 121 A 3.7286 8.8813 130.4305 52.3903 18.4090 177.1107 122 D 4.3625 7.6684 113.2397 53.3540 39.7096 174.9420 123 T 3.7880 8.2131 120.0323 61.9142 69.9664 171.4231 124 G 3.8991 8.8221 112.4400 45.6047 0.0000 173.2525 125 N 4.0062 8.8142 119.3851 53.4149 41.6591 169.7603 126 N 4.2521 9.2921 131.6372 53.4334 38.0678 174.0854 127 S 4.8816 7.9436 117.5463 57.9995 64.0017 175.7341 128 Q 4.5668 8.0048 119.5685 56.3980 32.7567 174.1757 129 V 4.4329 7.7869 115.7518 61.5600 33.6047 172.9991 130 S 4.3602 8.3062 113.5555 57.0042 63.8194 172.3162 131 Q 3.5983 7.5659 120.7702 56.0708 28.5140 175.5546 132 N 4.8330 7.6053 120.1843 52.1967 41.8094 174.9200 133 Y 4.3398 8.7901 115.7768 57.5097 37.9920 175.7491 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 H 8.43 4.79 0.00 3.25 3.47 0.00 5.64 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 2 M 8.84 4.47 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 3 G 8.45 4.18 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 0.00 0.00 0.00 4 A 8.41 4.05 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 5 R 8.68 3.44 0.00 1.90 1.95 0.00 3.42 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 6 A 8.09 3.79 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 7 S 7.29 4.37 0.00 3.73 3.67 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 8 V 8.04 3.52 1.80 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 0.66 0.00 0.00 0.77 0.00 0.00 9 L 7.24 4.34 0.00 1.58 1.60 0.63 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.16 4.82 0.00 4.03 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 11 G 8.55 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 12 G 8.00 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 13 E 8.19 4.19 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 14 L 8.02 4.09 0.00 2.08 1.75 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.99 4.47 0.00 2.77 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 16 K 7.93 4.21 0.00 1.85 1.88 0.00 1.85 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.66 7.81 17 W 8.40 4.08 0.00 3.72 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 18 E 7.69 4.82 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 19 K 6.88 4.64 0.00 1.67 1.64 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.20 7.81 20 I 7.24 4.04 1.13 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.48 -0.14 0.00 0.00 21 R 8.83 4.09 0.00 1.74 1.76 0.00 3.05 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 22 L 8.91 4.22 0.00 1.68 1.92 0.99 0.99 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 23 R 7.71 4.66 0.00 1.92 1.97 0.00 2.97 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 24 P 0.00 4.94 0.00 2.18 2.13 0.00 3.71 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 1.98 1.96 0.00 25 G 8.43 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.81 3.65 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 27 K 8.24 4.35 0.00 1.88 2.03 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.49 7.81 28 K 7.64 4.38 0.00 1.77 1.74 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.45 7.81 29 Q 8.39 4.92 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 30 Y 9.08 4.47 0.00 2.49 2.57 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 31 K 7.60 5.10 0.00 1.76 1.50 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.54 7.81 32 L 8.87 3.99 0.00 1.86 1.72 0.84 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.26 3.88 0.00 1.99 1.96 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.71 7.81 34 H 9.03 4.70 0.00 3.18 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.06 3.77 1.38 0.00 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.64 0.57 0.00 0.00 36 V 8.61 3.56 2.29 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 1.03 0.00 0.00 0.90 0.00 0.00 37 W 8.30 3.95 0.00 3.51 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 3.41 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.73 3.74 0.00 3.91 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 40 R 7.92 3.85 0.00 1.83 1.59 0.00 3.11 0.00 0.00 3.09 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 41 E 8.29 3.75 0.00 1.16 1.12 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 2.01 2.26 0.00 42 L 8.38 3.88 0.00 1.60 1.47 0.89 0.34 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 43 E 8.54 4.29 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 44 R 7.78 4.40 0.00 2.03 1.92 0.00 3.30 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 45 F 8.42 3.92 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 46 A 7.44 4.43 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 47 V 7.62 4.52 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 0.92 0.00 0.00 1.04 0.00 0.00 48 N 8.29 5.23 0.00 2.70 2.62 0.00 0.00 6.96 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.41 0.00 2.24 2.23 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 50 G 8.06 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 0.00 0.00 0.00 51 L 8.38 4.00 0.00 1.89 1.83 0.95 0.30 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 52 L 8.13 4.49 0.00 1.62 1.85 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.86 3.93 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 54 T 6.69 4.30 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 1.17 0.00 0.00 55 S 8.37 3.70 0.00 3.75 3.35 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 56 E 8.06 4.07 0.00 2.06 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 2.38 2.45 0.00 57 G 7.78 4.08 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 0.00 0.00 0.00 58 C 8.66 4.49 0.00 3.01 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 59 R 8.73 4.09 0.00 2.53 2.22 0.00 3.35 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 60 Q 8.43 4.11 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 61 I 8.43 3.93 2.07 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 1.68 0.99 0.95 0.00 0.00 62 L 8.97 4.29 0.00 2.03 1.66 0.35 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 4.13 0.00 2.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 65 L 7.99 4.50 0.00 2.00 1.81 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.88 3.66 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.63 0.00 0.00 0.00 0.00 0.00 1.73 2.60 0.00 67 P 0.00 4.59 0.00 2.27 2.33 0.00 4.02 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 68 S 7.47 4.70 0.00 4.21 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 69 L 8.10 4.12 0.00 1.74 1.62 0.23 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.23 4.16 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 71 T 8.04 4.48 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 1.23 0.00 0.00 72 G 7.11 4.08 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 0.00 0.00 0.00 73 S 7.36 4.70 0.00 4.12 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 74 E 8.39 4.05 0.00 2.07 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 2.42 2.40 0.00 75 E 7.81 4.57 0.00 2.55 2.29 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 2.40 2.50 0.00 76 L 8.22 3.87 0.00 1.93 1.74 1.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.95 4.10 0.00 1.92 2.03 0.00 3.50 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 78 S 8.25 4.86 0.00 3.95 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 79 L 8.22 4.17 0.00 2.11 1.74 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.06 4.03 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 9.27 4.51 0.00 3.05 3.28 0.00 0.00 7.25 8.12 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 82 T 8.04 4.62 4.62 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 1.66 0.00 0.00 83 I 7.76 3.82 2.04 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 1.60 1.05 0.91 0.00 0.00 84 A 8.38 3.98 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 85 V 8.06 3.58 2.44 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 0.67 0.00 0.00 0.90 0.00 0.00 86 L 8.77 4.47 0.00 2.16 1.81 0.41 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.80 3.47 0.00 3.11 3.13 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 88 C 8.41 4.19 0.00 3.31 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 89 V 8.17 4.39 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 1.19 0.00 0.00 1.21 0.00 0.00 90 H 8.23 4.26 0.00 2.85 3.09 0.00 5.72 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 91 Q 8.20 4.07 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 92 R 7.25 4.91 0.00 1.80 1.95 0.00 3.38 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 93 I 6.99 3.89 2.02 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 1.38 0.55 0.92 0.00 0.00 94 D 8.41 5.24 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.86 4.57 1.99 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 0.71 0.00 0.00 0.83 0.00 0.00 96 K 8.31 4.26 0.00 1.82 1.89 0.00 1.36 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.41 7.81 97 D 7.35 5.64 0.00 2.57 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 98 T 7.72 3.54 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 1.37 0.00 0.00 99 K 8.34 4.12 0.00 2.00 1.85 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 100 E 8.17 3.87 0.00 1.99 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 2.33 2.26 0.00 101 A 7.74 3.96 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 0.00 102 L 8.42 4.22 0.00 1.96 1.80 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.06 4.28 0.00 2.95 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 0.00 104 K 7.92 3.92 0.00 1.94 1.89 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 105 I 8.19 3.95 1.85 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 1.56 0.91 0.86 0.00 0.00 106 E 7.94 4.02 0.00 2.12 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 2.34 2.37 0.00 107 E 7.97 4.44 0.00 2.35 2.04 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 2.13 2.30 0.00 108 E 8.37 3.71 0.00 2.17 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 2.33 2.22 0.00 109 Q 8.52 3.85 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.07 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 110 N 7.96 4.76 0.00 2.77 2.91 0.00 0.00 6.64 8.49 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 0.00 111 K 7.74 4.32 0.00 1.70 1.73 0.00 1.77 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.29 7.81 112 S 9.04 3.87 0.00 4.04 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 0.00 113 K 7.63 4.27 0.00 1.72 1.63 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.17 7.81 114 K 7.80 4.20 0.00 1.70 1.58 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.37 7.81 115 K 8.28 3.85 0.00 1.92 1.79 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.36 7.81 116 A 8.03 4.36 1.18 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 0.00 0.00 117 Q 8.74 3.74 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 118 Q 8.33 4.36 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.18 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 119 A 8.40 3.58 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 0.00 120 A 8.56 4.05 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 0.00 121 A 8.88 3.73 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 0.00 122 D 7.67 4.36 0.00 2.71 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 0.00 123 T 8.21 3.79 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 1.21 0.00 0.00 124 G 8.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.81 4.01 0.00 2.61 2.65 0.00 0.00 7.28 7.79 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 0.00 126 N 9.29 4.25 0.00 2.90 2.85 0.00 0.00 7.03 7.57 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 0.00 127 S 7.94 4.88 0.00 3.91 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 0.00 128 Q 8.00 4.57 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 129 V 7.79 4.43 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 0.68 0.00 0.00 0.96 0.00 0.00 130 S 8.31 4.36 0.00 3.77 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 0.00 131 Q 7.57 3.60 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 132 N 7.61 4.83 0.00 2.73 2.78 0.00 0.00 7.34 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.79 4.34 0.00 3.16 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