NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.3167 8.1849 120.6288 54.5468 43.1046 176.1020 13 Q 4.2084 8.2943 120.1618 52.5484 29.7746 173.8008 14 P 4.3814 0.0000 0.0000 62.2342 33.3533 175.7481 15 D 4.6138 8.5664 120.3962 53.1031 40.1105 177.2262 16 L 3.8770 8.6845 121.9169 58.5268 42.3271 178.7214 17 V 3.3900 7.4449 115.2325 65.7794 31.3055 176.4773 18 Y 4.5141 8.5149 114.1695 57.0542 38.8115 175.5586 19 G 4.4295 8.2279 107.7675 46.4448 0.0000 173.1852 20 D 4.9494 9.1828 117.0240 51.7683 44.5825 176.6151 21 V 3.8124 8.3989 119.1217 63.9080 31.8583 178.4551 22 L 4.0823 8.4229 120.6146 57.7907 41.7991 179.1216 23 V 3.1813 8.0343 118.0010 66.1155 31.5626 177.9035 24 T 3.7606 7.8994 114.7666 66.6845 68.1946 176.3007 25 A 4.0263 8.0008 122.4350 54.8891 18.2683 179.5713 26 F 4.0720 8.0186 118.9716 61.5298 39.5305 177.5819 27 I 3.5056 7.8639 119.7480 64.3813 36.5610 178.1429 28 N 4.3849 7.8047 116.5622 55.7594 38.3690 177.3509 29 K 4.0309 7.2114 119.6561 59.3645 32.2702 179.1824 30 I 3.6533 7.3644 119.1672 63.2530 37.3531 176.7809 31 M 4.1399 7.1217 118.6131 55.7941 32.7743 175.2680 32 R 4.4374 8.2225 122.6191 56.4114 33.1532 174.6569 33 D 4.4884 9.2529 122.3081 54.3090 39.5546 173.5125 34 G 3.9043 7.9714 103.2450 46.8246 0.0000 175.4567 35 K 4.5294 7.3634 118.9425 54.2300 30.9147 177.6371 36 K 3.9309 7.9036 121.5955 59.2463 32.2430 178.2312 37 N 4.2965 8.1995 116.9950 56.2523 36.9652 176.8682 38 L 3.9400 7.8607 122.6973 57.0847 42.2858 178.3935 39 A 3.9402 7.9841 120.5811 55.2560 18.2498 179.4581 40 A 3.7757 8.1911 119.2100 55.3972 18.5020 180.0386 41 R 4.0384 7.8524 116.6963 59.4137 30.1360 179.3262 42 I 3.7105 8.0299 119.7397 64.3503 37.1733 178.2248 43 F 4.0528 8.2618 121.3434 61.6845 39.2694 176.8689 44 Y 4.2712 7.9514 116.2943 60.9586 37.4833 178.2648 45 D 4.3715 8.3728 120.0277 57.1158 40.8462 178.4262 46 A 4.0172 7.9876 121.3044 55.4418 18.3220 179.4314 47 C 3.8925 7.7308 115.0728 62.8561 28.0768 176.5401 48 K 3.9838 8.0076 120.0088 59.5922 31.6281 179.4960 49 I 3.7246 7.9540 120.2976 64.2008 36.9088 178.5969 50 I 3.6529 7.8816 120.8858 64.3573 37.0042 178.1281 51 Q 4.1917 8.0606 121.5989 58.9135 28.7242 178.2610 52 E 4.0656 8.2607 118.3115 59.0760 29.5132 178.7228 53 K 4.2200 8.0113 118.7435 57.9965 32.5508 177.7758 54 T 4.4422 8.3911 108.9875 60.7894 70.3412 175.6746 55 G 3.9154 8.6289 108.3728 45.2475 0.0000 173.3129 56 Q 4.3399 7.8801 119.0953 54.6544 30.0462 174.9183 57 E 4.4909 8.4924 119.6844 55.4120 30.2698 176.2527 58 P 4.2449 0.0000 0.0000 65.8946 31.1762 178.2533 59 L 3.7194 7.6547 119.6524 57.7422 42.0325 178.6771 60 K 3.9558 7.9129 119.2565 59.3202 32.1895 178.9032 61 V 3.5696 7.6239 118.5708 65.7649 31.4786 177.7148 62 F 4.1821 8.4111 120.6131 61.4055 39.2436 177.2362 63 K 3.5097 7.9703 117.9802 59.3864 31.8353 179.1935 64 Q 3.8684 8.1499 119.5905 58.8198 28.6967 178.0384 65 A 3.9992 7.7623 121.2089 55.1154 18.8772 179.4669 66 V 3.5202 7.3503 116.6695 66.0641 31.1688 177.7549 67 E 3.8898 8.1077 119.0580 59.4143 29.2653 178.2798 68 N 4.5037 8.1476 114.4728 54.8667 38.7774 176.3793 69 V 4.4175 7.2297 117.6175 61.6830 32.2705 175.5179 70 K 4.0416 7.2824 118.2414 56.2530 31.9733 174.8172 71 P 4.7956 0.0000 0.0000 62.6338 32.4962 176.2078 72 R 4.4342 9.3425 120.4980 57.6706 31.7342 176.1673 73 M 5.4181 7.8242 115.9587 53.8208 36.2294 174.4595 74 E 4.6818 8.9440 117.1176 55.8528 33.6885 174.6709 75 V 4.5284 8.3285 121.4974 61.4375 31.8173 174.5153 76 R 4.2393 9.1266 129.3536 55.9089 31.3984 175.2323 77 S 5.1335 8.7017 122.9883 58.0539 63.8522 173.7908 78 R 4.7096 9.3395 121.5122 54.5491 33.0774 173.8870 79 R 4.9764 8.6722 122.7246 55.1347 31.5129 175.5230 80 V 4.3409 9.0321 126.3297 61.9563 33.8966 175.4544 81 G 3.7262 9.8571 116.3900 46.8072 0.0000 174.2249 82 G 3.9012 8.7638 105.7271 44.8592 0.0000 173.8434 83 A 4.6307 7.7898 122.1682 49.9537 21.7444 174.9586 84 N 4.9690 8.2201 118.1619 52.5323 39.7072 174.3042 85 Y 4.8528 9.2272 120.9857 56.1743 42.5855 174.8827 86 Q 5.0561 8.8275 119.1717 54.5076 31.4547 175.0205 87 V 4.3567 8.8775 125.6562 60.3196 33.5762 173.2483 88 P 5.0213 0.0000 0.0000 62.9098 32.1020 175.4420 89 M 4.4975 8.6956 119.4267 54.5360 34.7849 173.9952 90 E 4.6553 8.8589 119.3648 56.4227 30.7688 176.3469 91 V 4.3254 8.2599 123.2571 61.1510 32.6843 176.2379 92 S 4.3221 8.6726 122.6977 57.3845 63.7104 173.2108 93 P 4.1597 0.0000 0.0000 66.2044 30.7357 178.7125 94 R 3.7917 7.8476 117.7273 59.4489 30.1034 178.4529 95 R 3.9132 7.9079 118.0303 59.0594 29.9430 178.4117 96 Q 3.8554 8.1172 118.5468 58.8396 28.5878 178.4630 97 Q 3.8685 7.8253 120.7911 59.0091 29.1415 178.2379 98 S 4.0135 7.8026 114.9522 61.4330 62.9397 176.5361 99 L 3.2061 7.8598 122.7156 56.8403 41.1860 179.2055 100 A 3.8746 7.6598 120.6944 55.2845 18.3678 179.7703 101 L 4.1990 8.0439 117.6021 57.7577 41.5981 179.6168 102 R 3.8496 7.9064 118.6586 59.4789 30.0931 178.6905 103 W 4.5355 8.1091 118.7315 59.6574 28.9362 178.5968 104 L 4.1653 8.2341 119.0972 58.0249 41.1719 179.7628 105 V 3.6486 8.0425 118.1023 66.1358 31.2108 178.0613 106 Q 4.0401 8.4594 117.1628 58.7774 28.8247 178.3943 107 A 4.1646 8.3388 121.6315 55.1660 18.5961 179.5627 108 A 4.0272 8.3280 119.4499 55.2857 18.2124 179.2762 109 N 4.4314 8.3661 114.6120 55.8214 38.9714 176.0539 110 Q 4.5771 7.6067 117.2739 54.8232 29.7143 175.7841 111 R 4.2456 7.3167 119.8735 55.2249 30.6646 175.4205 112 P 4.4142 0.0000 0.0000 64.9400 32.1028 176.9047 113 E 4.2119 7.9335 119.1507 56.2379 30.1552 178.0331 114 R 4.0421 8.5190 121.0287 59.1304 30.7275 178.3869 115 R 4.2569 7.7865 116.8568 55.2973 31.8728 177.3639 116 A 3.9986 8.6079 124.9996 55.2358 18.5414 179.7290 117 A 3.9267 7.9754 118.8511 55.2703 18.4725 179.9234 118 V 3.4731 7.6513 116.3546 66.0321 31.7178 178.3727 119 R 4.1806 7.8611 119.2337 58.7548 29.8363 179.1581 120 I 3.8125 8.1369 119.6277 64.3612 37.1828 178.3058 121 A 3.9910 8.1161 121.6191 55.6603 18.1424 179.4819 122 H 4.2991 8.4159 114.6945 58.8136 28.6732 177.7477 123 E 4.0307 8.3375 121.3508 59.1287 29.5088 178.7889 124 L 4.0296 8.2504 119.2565 58.1618 41.5409 179.4473 125 M 4.0976 8.2051 118.5960 58.3103 31.7758 178.6064 126 D 4.3649 8.0148 118.4724 57.4420 41.0111 178.5741 127 A 4.1793 8.4750 122.4047 54.6691 18.1401 179.5622 128 A 3.9377 8.0653 118.1242 54.6718 18.4750 178.6580 129 E 4.4136 7.6325 114.9454 55.8450 29.7603 176.8330 130 G 3.8683 8.2274 107.5909 45.8555 0.0000 173.1855 131 K 4.5225 8.4397 118.6360 54.4350 35.8899 175.3667 132 G 3.8441 8.6256 104.3173 44.7514 0.0000 174.8142 133 G 3.5911 8.5761 104.3372 47.3102 0.0000 176.0103 134 A 4.0517 7.9553 122.3185 55.1986 18.4902 179.8952 135 V 3.5920 7.7788 116.3559 65.9761 31.5860 177.9260 136 K 4.0395 8.0577 119.4846 59.2261 31.9158 178.6531 137 K 3.5517 8.0147 119.9531 59.1972 32.0122 178.5117 138 K 3.9046 7.7458 119.7849 59.7272 32.1223 178.4866 139 E 3.9721 8.2480 118.6594 59.5206 29.2929 179.1505 140 D 4.3032 8.2170 119.0631 57.2444 40.8981 178.9786 141 V 3.5507 7.8809 118.9732 66.1980 31.6145 178.0363 142 E 4.1763 8.4016 118.3388 59.2095 29.0163 179.3417 143 R 3.9025 7.9260 118.2918 59.6578 30.2354 178.1802 144 M 4.2025 8.1014 117.4690 58.3818 32.0532 178.3900 145 A 4.3001 7.9591 119.5744 53.2331 19.7907 177.5153 146 E 4.3256 7.5872 116.7718 54.1923 29.3515 175.0067 *152 A 4.2844 7.5993 123.2987 52.2664 21.5077 175.2737 153 H 4.3566 9.1431 115.9902 56.8350 28.0423 176.2974 154 Y 3.9578 9.2151 126.1599 57.6431 39.6842 174.2140 155 R 4.2097 7.6546 124.3393 55.3060 30.8125 176.4574 156 W 4.4196 8.7708 119.8136 56.9269 29.4259 175.7659 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 12 L 8.18 4.32 0.00 1.66 1.67 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.29 4.21 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 14 P 0.00 4.38 0.00 2.21 2.09 0.00 3.79 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 2.01 1.97 0.00 15 D 8.57 4.61 0.00 3.03 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 16 L 8.68 3.88 0.00 1.63 1.80 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.44 3.39 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 -0.05 0.00 0.00 -0.11 0.00 0.00 18 Y 8.51 4.51 0.00 3.36 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.23 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.18 4.95 0.00 2.73 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 21 V 8.40 3.81 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 0.95 0.00 0.00 0.95 0.00 0.00 22 L 8.42 4.08 0.00 1.79 1.98 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.03 3.18 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.01 0.00 0.00 24 T 7.90 3.76 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 25 A 8.00 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.02 4.07 0.00 3.40 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 27 I 7.86 3.51 1.84 0.00 0.00 0.54 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 0.05 0.84 0.00 0.00 28 N 7.80 4.38 0.00 2.85 2.82 0.00 0.00 7.06 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 29 K 7.21 4.03 0.00 1.49 1.59 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.53 7.81 30 I 7.36 3.65 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.08 0.87 0.00 0.00 31 M 7.12 4.14 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 32 R 8.22 4.44 0.00 1.81 1.67 0.00 3.30 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 33 D 9.25 4.49 0.00 2.83 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 34 G 7.97 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 35 K 7.36 4.53 0.00 1.87 1.76 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.37 1.53 7.81 36 K 7.90 3.93 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 37 N 8.20 4.30 0.00 2.93 3.10 0.00 0.00 5.93 6.67 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 38 L 7.86 3.94 0.00 1.78 1.82 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.98 3.94 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 40 A 8.19 3.78 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.85 4.04 0.00 2.04 2.05 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 42 I 8.03 3.71 2.10 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 1.07 0.95 0.00 0.00 43 F 8.26 4.05 0.00 3.03 2.81 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 44 Y 7.95 4.27 0.00 3.09 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 45 D 8.37 4.37 0.00 2.93 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 46 A 7.99 4.02 1.31 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 47 C 7.73 3.89 0.00 3.18 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 48 K 8.01 3.98 0.00 2.00 1.86 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.83 7.81 49 I 7.95 3.72 2.02 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 1.52 0.71 0.93 0.00 0.00 50 I 7.88 3.65 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.90 0.00 0.00 51 Q 8.06 4.19 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 52 E 8.26 4.07 0.00 2.10 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 2.35 2.47 0.00 53 K 8.01 4.22 0.00 1.89 1.87 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.44 7.81 54 T 8.39 4.44 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 55 G 8.63 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 0.00 0.00 0.00 56 Q 7.88 4.34 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 57 E 8.49 4.49 0.00 2.02 1.91 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 2.43 2.38 0.00 58 P 0.00 4.24 0.00 2.18 2.47 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 59 L 7.65 3.72 0.00 0.96 1.52 0.74 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.91 3.96 0.00 1.85 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.48 7.81 61 V 7.62 3.57 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 0.94 0.00 0.00 0.93 0.00 0.00 62 F 8.41 4.18 0.00 3.06 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 63 K 7.97 3.51 0.00 1.91 1.72 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.59 7.81 64 Q 8.15 3.87 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 65 A 7.76 4.00 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 66 V 7.35 3.52 1.79 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 0.81 0.00 0.00 0.25 0.00 0.00 67 E 8.11 3.89 0.00 2.10 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 2.27 2.37 0.00 68 N 8.15 4.50 0.00 2.82 2.87 0.00 0.00 6.91 7.01 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 69 V 7.23 4.42 2.15 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 1.22 0.00 0.00 1.04 0.00 0.00 70 K 7.28 4.04 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.59 1.55 7.81 71 P 0.00 4.80 0.00 2.35 2.48 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 72 R 9.34 4.43 0.00 2.01 2.02 0.00 3.23 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 73 M 7.82 5.42 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 74 E 8.94 4.68 0.00 2.12 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 0.00 2.24 2.28 0.00 75 V 8.33 4.53 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 0.81 0.00 0.00 0.97 0.00 0.00 76 R 9.13 4.24 0.00 1.97 1.90 0.00 3.23 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 77 S 8.70 5.13 0.00 3.83 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 78 R 9.34 4.71 0.00 1.83 2.00 0.00 2.78 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 79 R 8.67 4.98 0.00 1.86 1.90 0.00 3.18 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 80 V 9.03 4.34 2.19 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 0.91 0.00 0.00 0.98 0.00 0.00 81 G 9.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.76 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 83 A 7.79 4.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.22 4.97 0.00 2.47 2.68 0.00 0.00 6.75 7.46 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 85 Y 9.23 4.85 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 86 Q 8.83 5.06 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 87 V 8.88 4.36 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 0.91 0.00 0.00 0.95 0.00 0.00 88 P 0.00 5.02 0.00 1.99 1.98 0.00 3.77 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 2.03 2.09 0.00 89 M 8.70 4.50 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 90 E 8.86 4.66 0.00 1.88 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 2.31 0.00 91 V 8.26 4.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.05 0.00 0.00 92 S 8.67 4.32 0.00 4.03 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 93 P 0.00 4.16 0.00 2.26 2.35 0.00 3.69 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 2.06 2.03 0.00 94 R 7.85 3.79 0.00 1.88 1.93 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 95 R 7.91 3.91 0.00 1.91 1.86 0.00 3.13 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 96 Q 8.12 3.86 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.60 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 97 Q 7.83 3.87 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 98 S 7.80 4.01 0.00 4.04 4.03 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 99 L 7.86 3.21 0.00 1.16 0.13 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.66 3.87 1.30 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 0.00 0.00 101 L 8.04 4.20 0.00 1.71 1.85 1.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.91 3.85 0.00 1.85 1.79 0.00 3.17 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 103 W 8.11 4.54 0.00 3.49 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 0.00 104 L 8.23 4.17 0.00 2.26 2.10 1.01 0.96 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 0.00 105 V 8.04 3.65 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 0.97 0.00 0.00 0.66 0.00 0.00 106 Q 8.46 4.04 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 107 A 8.34 4.16 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 0.00 0.00 108 A 8.33 4.03 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 0.00 109 N 8.37 4.43 0.00 2.96 3.06 0.00 0.00 7.10 6.60 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 0.00 110 Q 7.61 4.58 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 111 R 7.32 4.25 0.00 2.00 2.13 0.00 3.40 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 112 P 0.00 4.41 0.00 2.19 2.20 0.00 3.80 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 2.02 2.01 0.00 113 E 7.93 4.21 0.00 2.09 1.90 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 2.38 2.42 0.00 114 R 8.52 4.04 0.00 1.80 1.99 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 115 R 7.79 4.26 0.00 1.84 1.84 0.00 3.13 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 1.70 1.69 0.00 116 A 8.61 4.00 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 0.00 117 A 7.98 3.93 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 0.00 118 V 7.65 3.47 2.15 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 0.85 0.00 0.00 0.90 0.00 0.00 119 R 7.86 4.18 0.00 2.10 2.17 0.00 3.44 0.00 0.00 3.51 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 120 I 8.14 3.81 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.82 1.20 0.00 0.00 121 A 8.12 3.99 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 0.00 122 H 8.42 4.30 0.00 3.27 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.34 4.03 0.00 2.28 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 2.61 2.50 0.00 124 L 8.25 4.03 0.00 1.92 1.75 0.96 1.03 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 0.00 125 M 8.21 4.10 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 126 D 8.01 4.36 0.00 3.01 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 A 8.47 4.18 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 0.00 128 A 8.07 3.94 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 0.00 129 E 7.63 4.41 0.00 2.08 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 0.00 2.30 2.38 0.00 130 G 8.23 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 0.00 0.00 0.00 131 K 8.44 4.52 0.00 1.89 1.91 0.00 1.28 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.35 7.81 132 G 8.63 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.58 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 0.00 134 A 7.96 4.05 1.56 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 0.00 135 V 7.78 3.59 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 1.10 0.00 0.00 1.01 0.00 0.00 136 K 8.06 4.04 0.00 2.05 1.72 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.56 7.81 137 K 8.01 3.55 0.00 1.58 1.51 0.00 1.06 0.00 0.00 1.10 0.00 0.00 2.41 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.21 7.81 138 K 7.75 3.90 0.00 2.25 2.06 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.98 7.81 139 E 8.25 3.97 0.00 2.18 1.97 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 2.33 2.48 0.00 140 D 8.22 4.30 0.00 2.70 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 0.00 141 V 7.88 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.81 0.00 0.00 142 E 8.40 4.18 0.00 2.08 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 2.47 2.49 0.00 143 R 7.93 3.90 0.00 1.87 2.19 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 144 M 8.10 4.20 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.98 0.00 145 A 7.96 4.30 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 0.00 146 E 7.59 4.33 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 2.32 2.37 0.00 *152 A 7.60 4.28 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 0.00 153 H 9.14 4.36 0.00 3.28 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 9.22 3.96 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.65 4.21 0.00 1.82 1.86 0.00 2.98 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 156 W 8.77 4.42 0.00 3.30 3.23 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 * Residues marked with a * may have inaccurate shift predictions.