NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6156 8.3044 120.3278 55.2428 35.0163 171.6653 2 K 4.4165 8.8093 121.5278 56.1998 31.6597 176.5501 3 K 4.6841 9.0218 117.5350 54.2768 36.3143 173.1255 4 V 4.4020 7.6235 118.1611 60.9525 34.1147 175.9403 5 V 3.4218 8.4198 117.4588 61.1132 29.9602 171.6148 6 A 5.4809 6.6419 135.0000 53.1768 19.8362 175.3790 7 V 4.8140 6.8822 114.2640 59.7930 37.0473 177.2516 8 V 4.5629 8.3438 113.7026 60.0964 36.5075 173.5214 9 K 4.8650 8.7617 124.7434 55.0686 34.2292 174.9592 10 L 4.9098 8.5424 124.3894 53.5126 44.0520 176.6796 11 Q 4.6532 8.1177 115.4830 53.4727 27.4715 174.6525 12 L 4.1331 8.0425 126.6628 52.8713 44.0369 177.7388 13 P 5.0980 0.0000 0.0000 61.5285 32.9903 178.7674 14 A 3.8754 8.7907 116.6199 53.2988 20.8404 174.6491 15 G 4.3166 9.8157 119.2096 45.0316 0.0000 173.2063 16 K 4.4957 7.1160 118.7139 54.0058 35.6872 175.8886 17 A 4.3801 8.2308 117.7192 52.8363 20.6634 175.8999 18 T 4.6477 8.5619 116.3846 65.3924 76.4400 174.7089 19 P 4.7086 0.0000 0.0000 62.0214 30.4750 177.3417 20 A 4.4469 8.3924 122.3180 52.5495 20.3854 174.7309 21 P 3.8817 0.0000 0.0000 66.0869 31.3400 175.7096 22 P 4.1300 0.0000 0.0000 65.7553 32.3653 177.8007 23 V 4.3614 7.6402 111.9863 63.4819 34.6778 176.6696 24 G 4.5003 8.1691 108.2277 48.5586 0.0000 173.0506 25 P 4.4943 0.0000 0.0000 63.5716 32.2934 177.2584 26 A 4.0590 7.8384 121.3837 54.9400 17.8739 178.9057 27 L 3.8090 7.7265 115.7208 57.3865 41.3168 178.5891 28 G 3.7489 8.3915 107.2095 46.9260 0.0000 176.0039 29 Q 4.0204 7.4207 119.4323 58.9031 28.8396 176.7818 30 H 4.5968 8.0455 112.3016 55.3226 28.8627 175.1663 31 G 3.7822 9.1344 108.4434 46.9405 0.0000 172.9742 32 A 4.3794 7.7059 126.9948 52.0593 21.8171 173.6130 33 N 5.0956 8.4074 113.7028 52.7189 42.8193 174.2625 34 I 4.2512 8.2817 118.4728 62.5685 38.4850 176.8968 35 M 4.4040 8.0240 114.7739 55.5126 31.7779 176.2422 36 E 4.5643 8.1579 118.3535 57.2679 31.4433 175.8802 37 F 5.0088 7.9014 118.6544 56.2112 38.9214 172.9345 38 V 5.0285 7.3352 115.4564 61.6695 37.5689 176.5008 39 K 4.2509 8.0890 117.1684 58.0232 33.5150 177.5973 40 A 4.9356 7.7198 120.6484 51.6558 18.9220 176.9539 41 F 4.7361 7.6577 122.4259 59.7176 45.4753 175.5394 42 N 3.5134 7.1033 114.9709 53.7772 38.0180 176.3847 43 A 3.9158 7.5618 123.3143 54.2632 18.7200 179.9868 44 A 4.1550 7.5587 118.7421 55.3518 17.4851 179.8045 45 T 3.8857 7.3950 113.2963 66.2753 68.2795 176.3743 46 A 4.0052 7.5062 121.1916 53.9094 18.3329 178.4915 47 N 4.6029 7.2498 113.9975 55.6327 39.3927 177.1823 48 M 4.1888 8.3261 118.4767 55.0139 32.1902 176.9174 49 G 4.2092 9.3493 108.9077 43.8994 0.0000 174.4190 50 D 4.2164 8.7706 122.8079 50.7677 43.3872 176.0324 51 A 3.4429 8.1387 122.9414 53.1120 18.6111 179.8158 52 I 4.3529 7.6428 115.1371 60.9673 40.1789 175.1209 53 V 4.3274 8.0059 118.2994 58.6554 32.8774 176.2612 54 P 4.7418 0.0000 0.0000 61.7267 30.2134 177.4820 55 V 3.9922 8.8318 119.5457 63.6083 32.5535 174.8017 56 E 5.0255 8.4627 123.9945 54.7846 32.3711 174.4585 57 I 4.6984 8.2042 117.5412 60.8044 42.4864 175.1213 58 T 4.5838 8.0441 119.5918 62.7500 72.2284 173.4028 59 I 4.4847 8.6235 128.4840 60.9753 37.9323 175.8385 60 Y 4.5969 8.4225 119.3742 56.7420 39.9575 175.6012 61 A 3.8615 9.8802 121.1968 52.5865 15.1070 178.3936 62 D 4.5060 8.2507 115.8337 54.3123 39.3184 176.4828 63 R 4.3687 8.4908 115.5691 57.9831 27.7136 175.9890 64 S 4.3646 7.2104 112.0481 56.7949 64.0658 173.0220 65 F 5.7549 7.4001 116.6572 57.9895 39.8101 174.5396 66 T 4.4688 8.4770 120.0027 61.9161 67.6313 175.7486 67 F 4.7745 8.4431 124.7481 56.6460 36.4287 178.6771 68 V 3.6722 7.3391 119.3881 63.3854 30.8251 175.3984 69 T 4.1741 8.2732 123.5082 63.6658 68.9343 173.6021 70 K 4.7425 8.1018 121.6204 55.0280 36.3969 175.7715 71 T 4.3882 8.3436 116.3433 62.0282 69.3622 173.2090 72 P 4.1198 0.0000 0.0000 61.6744 32.1316 174.2986 73 P 4.2930 0.0000 0.0000 62.8737 31.6991 177.1759 74 A 4.1468 8.6447 123.4712 54.4091 18.3021 179.6211 75 S 4.2761 7.9042 113.1589 60.9961 63.4095 175.4224 76 Y 4.2544 8.2160 122.2657 60.5281 38.5945 177.3419 77 L 3.5578 8.1185 119.1954 57.6403 41.6601 179.2196 78 I 3.8087 7.5107 119.0351 63.2801 37.3132 177.8717 79 R 3.9944 8.3014 117.1615 58.4019 29.0319 179.1470 80 K 3.8280 6.9801 118.8628 59.2123 32.2083 178.6920 81 A 4.0936 7.7639 119.0007 54.9261 18.4542 179.0175 82 A 4.9115 7.3797 119.1890 55.5368 19.1317 177.1277 83 G 3.4286 7.8306 108.8920 45.4922 0.0000 174.5443 84 L 4.0762 7.6098 119.7804 56.1106 40.7417 176.6817 85 E 4.2768 8.6976 118.4917 58.1395 29.8088 177.2471 86 K 4.2009 8.7106 116.3844 56.2101 33.1393 176.4355 87 G 3.8598 7.8313 112.4893 43.4237 0.0000 172.1515 88 A 4.9759 7.0264 130.3343 51.2498 20.9498 176.1201 89 H 4.3000 8.8382 122.6518 58.5119 30.2160 175.8840 90 K 4.4900 7.6648 118.1402 54.4981 34.7620 174.6709 91 P 4.6029 0.0000 0.0000 62.2564 34.1652 172.7688 92 G 4.0482 8.0513 111.6344 45.1110 0.0000 175.6971 93 R 4.3724 8.9169 126.3469 55.6840 31.9775 174.2538 94 E 4.6817 7.7709 117.9498 54.1901 31.7310 174.7323 95 K 4.4888 7.8938 121.5297 56.3430 34.8762 175.8255 96 V 4.1047 7.7778 115.5165 61.7949 30.8401 175.7055 97 G 4.3713 7.9283 106.8864 45.0194 0.0000 172.0399 98 R 4.8228 8.2182 116.3741 54.9109 35.0929 175.4055 99 I 4.3528 8.2445 122.5773 60.2783 40.8247 175.1916 100 T 4.4083 8.4387 118.5268 60.9380 69.4134 174.6074 101 W 4.1056 8.7101 120.5681 60.1097 28.9271 177.5919 102 E 4.4035 8.1472 114.9666 57.6548 28.9828 178.2469 103 Q 4.8760 7.7802 123.3708 58.8167 28.9236 177.3432 104 V 3.8838 7.5373 116.7698 63.7691 31.7742 176.1051 105 L 4.5867 7.6166 117.3868 55.1787 42.2321 177.9835 106 E 4.0311 7.8197 120.0324 58.5979 29.8015 178.1578 107 I 4.0379 7.6140 116.7761 61.4884 38.5424 176.9622 108 A 4.0348 7.5375 122.4222 54.9644 18.2329 178.3047 109 K 4.2835 7.9628 112.7092 57.4608 32.8259 177.0157 110 Q 4.2026 7.5249 118.4588 57.2130 30.0207 175.7978 111 K 4.3564 7.6833 125.4634 56.2488 32.1228 176.4125 112 M 4.8589 8.3913 120.9350 55.8091 38.2006 176.0587 113 P 4.5650 0.0000 0.0000 63.4511 30.5785 177.8062 114 D 4.4795 9.2511 122.2388 56.0715 40.3724 176.8742 115 L 4.1094 7.8148 121.9706 58.3254 41.7301 176.6295 116 N 4.1974 7.6476 119.2554 52.7534 35.8495 174.8235 117 T 4.6463 7.2769 108.4625 59.7706 70.9152 174.4376 118 T 3.9612 8.6177 122.3931 66.4471 68.7195 174.4361 119 D 4.6295 7.8530 119.2106 53.3437 40.3404 175.7067 120 L 4.3513 8.3775 117.8346 56.3089 42.2856 178.8966 121 E 4.2158 8.0881 115.5563 57.8361 30.3171 177.2403 122 A 4.3205 7.6216 119.7975 52.2115 18.6830 177.1747 123 A 4.6346 7.6798 116.5497 51.0785 20.9383 177.8281 124 A 4.3045 7.7856 116.9783 54.1731 18.7066 179.2504 125 R 4.0390 7.2759 112.3164 58.1680 29.6184 178.1408 126 M 4.2206 7.7465 120.1644 58.3151 32.6315 178.0214 127 I 3.9164 7.7564 118.8859 63.2610 37.2890 177.7123 128 A 4.2190 7.9785 121.1937 53.8327 18.3960 178.9743 129 G 3.6147 7.9435 104.2258 46.5242 0.0000 175.3297 130 S 4.4308 7.8599 113.1004 59.1773 62.3290 174.4870 131 A 4.6618 7.0960 121.0704 52.7566 18.9669 177.3289 132 R 4.5277 7.5818 114.4902 55.9258 31.9927 175.5156 133 S 4.5457 7.9342 111.4176 60.2372 63.7454 175.1156 134 M 4.1777 7.6816 118.2651 56.9519 32.3644 176.6094 135 G 3.8464 9.4112 109.5059 47.3377 0.0000 175.1952 136 V 3.1124 6.7746 113.1462 59.1514 29.1809 175.3031 137 E 4.1225 8.2765 125.1003 56.5422 30.2154 176.4062 138 V 5.1897 7.4750 119.1657 58.4512 30.8621 173.5304 139 V 3.4851 6.9700 124.4391 64.3605 30.8274 176.2092 140 G 4.8518 8.4856 123.2273 46.4860 0.0000 170.2757 *141 A 4.0908 7.4785 127.6938 51.6863 18.8908 176.2368 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 M 8.30 4.62 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 8.81 4.42 0.00 1.70 1.09 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.59 7.81 3 K 9.02 4.68 0.00 1.72 1.71 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.39 7.81 4 V 7.62 4.40 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 0.77 0.00 0.00 0.90 0.00 0.00 5 V 8.42 3.42 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 0.66 0.00 0.00 0.92 0.00 0.00 6 A 6.64 5.48 1.27 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 0.00 0.00 0.00 7 V 6.88 4.81 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 0.70 0.00 0.00 0.95 0.00 0.00 8 V 8.34 4.56 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 0.75 0.00 0.00 0.83 0.00 0.00 9 K 8.76 4.86 0.00 1.87 1.78 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.39 7.81 10 L 8.54 4.91 0.00 1.59 1.65 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.12 4.65 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 12 L 8.04 4.13 0.00 1.74 1.76 1.18 0.95 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 13 P 0.00 5.10 0.00 2.08 1.45 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 14 A 8.79 3.88 1.24 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 0.00 0.00 15 G 9.82 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 0.00 0.00 0.00 0.00 16 K 7.12 4.50 0.00 1.83 1.74 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.34 7.81 17 A 8.23 4.38 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 18 T 8.56 4.65 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 19 P 0.00 4.71 0.00 2.16 1.86 0.00 3.52 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 20 A 8.39 4.45 1.22 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 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.88 0.00 2.03 2.02 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 2.03 2.13 0.00 22 P 0.00 4.13 0.00 2.00 2.02 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 23 V 7.64 4.36 2.03 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 0.87 0.00 0.00 0.90 0.00 0.00 24 G 8.17 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.49 0.00 2.19 2.27 0.00 3.69 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 1.97 1.92 0.00 26 A 7.84 4.06 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 27 L 7.73 3.81 0.00 1.62 1.64 0.67 0.33 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 28 G 8.39 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 29 Q 7.42 4.02 0.00 1.92 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 30 H 8.05 4.60 0.00 3.06 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.13 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 32 A 7.71 4.38 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 33 N 8.41 5.10 0.00 2.74 2.75 0.00 0.00 6.70 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 34 I 8.28 4.25 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.92 0.00 0.00 35 M 8.02 4.40 0.00 2.15 2.21 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 2.55 2.55 0.00 36 E 8.16 4.56 0.00 2.21 2.53 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 2.36 2.40 0.00 37 F 7.90 5.01 0.00 2.52 2.70 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 0.00 0.00 0.00 0.00 38 V 7.34 5.03 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 1.20 0.00 0.00 1.08 0.00 0.00 39 K 8.09 4.25 0.00 1.86 1.82 0.00 1.55 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.48 7.81 40 A 7.72 4.94 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 41 F 7.66 4.74 0.00 1.96 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 42 N 7.10 3.51 0.00 2.54 2.42 0.00 0.00 7.17 8.28 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 43 A 7.56 3.92 1.24 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 0.00 0.00 44 A 7.56 4.16 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 45 T 7.39 3.89 4.00 0.00 0.00 0.00 0.00 0.00 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 46 A 7.51 4.01 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 47 N 7.25 4.60 0.00 3.02 2.85 0.00 0.00 6.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.33 4.19 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.89 0.00 49 G 9.35 4.21 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 50 D 8.77 4.22 0.00 2.70 2.45 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 51 A 8.14 3.44 0.66 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 0.00 0.00 52 I 7.64 4.35 1.61 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 1.32 1.06 0.28 0.00 0.00 53 V 8.01 4.33 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 0.80 0.00 0.00 1.08 0.00 0.00 54 P 0.00 4.74 0.00 2.20 2.17 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 55 V 8.83 3.99 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 1.08 0.00 0.00 1.05 0.00 0.00 56 E 8.46 5.03 0.00 2.25 1.94 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 2.19 2.30 0.00 57 I 8.20 4.70 1.68 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.94 0.55 0.00 0.00 58 T 8.04 4.58 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 0.83 0.00 0.00 59 I 8.62 4.48 1.93 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 1.50 0.40 0.96 0.00 0.00 60 Y 8.42 4.60 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 61 A 9.88 3.86 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 62 D 8.25 4.51 0.00 2.80 2.85 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 63 R 8.49 4.37 0.00 2.02 2.17 0.00 3.30 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 64 S 7.21 4.36 0.00 3.68 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 65 F 7.40 5.75 0.00 3.13 3.10 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 0.00 0.00 0.00 66 T 8.48 4.47 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 1.18 0.00 0.00 67 F 8.44 4.77 0.00 3.49 3.38 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 68 V 7.34 3.67 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 0.82 0.00 0.00 0.88 0.00 0.00 69 T 8.27 4.17 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 1.27 0.00 0.00 70 K 8.10 4.74 0.00 1.86 1.71 0.00 1.76 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.64 7.81 71 T 8.34 4.39 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 1.26 0.00 0.00 72 P 0.00 4.12 0.00 2.27 2.15 0.00 3.77 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 2.15 2.33 0.00 73 P 0.00 4.29 0.00 2.25 2.03 0.00 3.65 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 2.14 2.13 0.00 74 A 8.64 4.15 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 75 S 7.90 4.28 0.00 3.91 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 76 Y 8.22 4.25 0.00 3.01 3.08 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 77 L 8.12 3.56 0.00 1.71 1.69 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.51 3.81 1.81 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 1.64 0.87 0.86 0.00 0.00 79 R 8.30 3.99 0.00 2.36 2.13 0.00 2.66 0.00 0.00 3.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 80 K 6.98 3.83 0.00 1.61 1.80 0.00 1.74 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 0.85 7.81 81 A 7.76 4.09 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 82 A 7.38 4.91 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 83 G 7.83 3.43 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 84 L 7.61 4.08 0.00 1.76 1.86 0.93 0.56 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 85 E 8.70 4.28 0.00 1.99 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 0.00 2.28 2.33 0.00 86 K 8.71 4.20 0.00 1.74 1.76 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 87 G 7.83 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 88 A 7.03 4.98 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 89 H 8.84 4.30 0.00 3.11 3.31 0.00 5.73 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 90 K 7.66 4.49 0.00 1.82 1.69 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.40 7.81 91 P 0.00 4.60 0.00 2.19 2.17 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 92 G 8.05 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 0.00 0.00 0.00 93 R 8.92 4.37 0.00 1.74 1.92 0.00 3.37 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 94 E 7.77 4.68 0.00 1.94 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 0.00 2.20 2.20 0.00 95 K 7.89 4.49 0.00 1.89 1.79 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.42 7.81 96 V 7.78 4.10 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 0.66 0.00 0.00 0.93 0.00 0.00 97 G 7.93 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 98 R 8.22 4.82 0.00 1.71 1.76 0.00 3.12 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 99 I 8.24 4.35 2.07 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 1.25 0.63 0.86 0.00 0.00 100 T 8.44 4.41 4.46 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 1.26 0.00 0.00 101 W 8.71 4.11 0.00 3.38 3.30 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 0.00 102 E 8.15 4.40 0.00 2.22 2.27 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 2.41 2.34 0.00 103 Q 7.78 4.88 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 104 V 7.54 3.88 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 0.86 0.00 0.00 0.85 0.00 0.00 105 L 7.62 4.59 0.00 1.98 1.68 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.82 4.03 0.00 2.11 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 2.33 2.49 0.00 107 I 7.61 4.04 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 1.34 1.53 0.92 0.00 0.00 108 A 7.54 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 0.00 109 K 7.96 4.28 0.00 1.88 1.94 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.46 7.81 110 Q 7.52 4.20 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 111 K 7.68 4.36 0.00 1.76 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.48 7.81 112 M 8.39 4.86 0.00 1.95 2.04 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 2.57 2.60 0.00 113 P 0.00 4.57 0.00 2.19 1.33 0.00 3.61 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 2.13 2.13 0.00 114 D 9.25 4.48 0.00 2.66 2.70 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 0.00 0.00 0.00 0.00 115 L 7.81 4.11 0.00 1.67 1.74 1.00 1.03 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 0.00 116 N 7.65 4.20 0.00 2.81 3.08 0.00 0.00 6.73 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.28 4.65 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 1.22 0.00 0.00 118 T 8.62 3.96 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 0.00 119 D 7.85 4.63 0.00 2.86 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 0.00 120 L 8.38 4.35 0.00 1.78 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.09 4.22 0.00 2.22 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 0.00 2.35 2.38 0.00 122 A 7.62 4.32 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 0.00 123 A 7.68 4.63 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 0.00 124 A 7.79 4.30 1.51 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 0.00 0.00 125 R 7.28 4.04 0.00 2.03 2.05 0.00 3.06 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 126 M 7.75 4.22 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 127 I 7.76 3.92 1.97 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 1.45 1.01 0.88 0.00 0.00 128 A 7.98 4.22 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 0.00 129 G 7.94 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.86 4.43 0.00 3.93 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 0.00 131 A 7.10 4.66 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 0.00 132 R 7.58 4.53 0.00 1.87 1.87 0.00 3.16 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 133 S 7.93 4.55 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 0.00 134 M 7.68 4.18 0.00 2.00 2.09 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 2.71 2.48 0.00 135 G 9.41 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 0.00 0.00 0.00 136 V 6.77 3.11 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 0.66 0.00 0.00 0.90 0.00 0.00 137 E 8.28 4.12 0.00 2.09 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 2.30 2.28 0.00 138 V 7.47 5.19 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 0.69 0.00 0.00 139 V 6.97 3.49 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 0.85 0.00 0.00 0.95 0.00 0.00 140 G 8.49 4.85 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 0.00 0.00 0.00 *141 A 7.48 4.09 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.