NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.7830 8.4293 117.8356 55.7991 30.1769 172.4411 4 V 4.2337 8.0426 121.3949 59.5913 34.4522 172.8548 5 A 4.5909 8.2425 126.7444 50.2826 21.0234 177.5584 6 F 2.9497 8.6505 123.2071 59.8174 39.5400 175.7029 7 G 3.5066 7.4396 114.7122 45.3543 0.0000 173.6280 8 S 4.1122 7.4500 118.7300 58.7741 63.3233 176.2017 9 E 4.0518 8.7588 120.1550 58.1267 29.8861 176.6218 10 D 5.1268 7.7048 117.3538 52.7032 40.1956 177.8683 11 I 3.4944 7.5757 122.5227 65.3813 37.8062 176.7347 12 E 3.9951 8.0886 117.6674 58.9693 29.3316 178.6193 13 N 4.2944 7.8805 117.6202 56.9173 39.2590 176.6904 14 T 4.0035 7.7587 116.5508 66.8127 68.6674 176.6322 15 L 3.9873 8.1034 120.4914 57.3695 41.2847 179.2456 16 A 4.2599 7.8967 120.1562 54.8065 18.3434 178.7980 17 K 4.2740 7.6754 114.2625 56.2109 32.8155 176.5068 18 M 4.5752 7.4316 120.0234 53.6797 34.0164 175.9452 19 D 4.9256 8.1219 121.8914 52.4475 42.6494 176.1177 20 D 4.4704 8.8865 117.6444 58.0091 40.5769 178.7017 21 G 3.6496 8.1112 104.1417 47.9682 0.0000 175.1913 22 Q 4.1304 8.0717 120.5613 58.6348 28.8255 178.8618 23 L 3.9471 7.9600 119.8935 58.0198 41.4967 179.4081 24 D 4.5596 8.6967 117.7387 56.6127 40.7930 178.1636 25 G 3.7728 7.6471 104.3515 44.3936 0.0000 174.1728 26 L 3.7976 6.7699 120.3955 54.5989 42.0188 177.4908 27 A 4.1271 8.0873 123.8974 53.8064 18.7598 177.3117 28 F 5.1303 6.6489 109.4899 54.3319 41.4858 175.3531 29 G 4.1709 9.3483 107.1936 46.1102 0.0000 172.6717 30 A 5.5346 9.6040 125.3749 50.4688 22.7149 174.9696 31 I 4.9661 9.1045 123.8299 59.5493 40.8865 174.4504 32 Q 4.6850 8.8391 127.3201 54.1648 31.3369 174.1911 33 L 5.3156 8.9185 126.2412 52.9106 45.5650 176.4797 34 D 5.1361 8.8117 121.9994 52.2309 41.0075 177.3968 35 G 3.7588 8.8406 107.1266 48.1701 0.0000 174.0294 36 D 4.6958 8.5375 117.8406 54.2589 41.4564 177.2230 37 G 4.0267 8.7931 108.5273 45.5127 0.0000 173.1979 38 N 4.8829 8.4574 117.7086 52.7479 39.3671 174.3300 39 I 4.3287 8.6907 124.0307 61.3709 37.6021 176.5076 40 L 4.2882 9.1476 128.1264 56.5644 42.7324 177.2856 41 Q 4.7076 7.6969 115.2097 54.8133 33.7867 174.0979 42 Y 4.9077 8.4217 122.1252 57.1266 41.3183 173.8939 43 N 5.0185 8.8040 125.3362 51.7570 39.6052 176.2766 44 A 4.0677 9.0186 120.6046 55.2266 18.1509 179.8012 45 A 3.9685 7.9479 118.9096 55.1888 18.4788 179.3417 46 E 3.9944 8.3987 117.5608 59.4281 29.7094 179.1261 47 G 3.9141 8.1137 105.2608 47.9891 0.0000 175.3414 48 D 4.4316 7.9883 120.1964 56.9747 40.8286 178.4763 49 I 4.0646 7.4693 120.4267 63.5655 37.3848 177.3551 50 T 4.6375 8.0469 107.7065 60.6694 70.0648 175.5336 51 G 3.9675 8.4497 109.5803 45.5636 0.0000 173.7698 52 R 4.1183 7.6339 118.3990 55.2850 31.0361 175.8191 53 D 4.5451 8.4479 121.6878 53.0786 41.3756 174.9434 54 P 4.2297 0.0000 0.0000 65.8685 31.0706 178.7365 55 K 4.1942 8.0838 115.9817 59.4636 32.1319 178.9091 56 Q 4.1087 7.8477 117.1927 57.8997 29.0421 177.8774 57 V 3.9988 7.3648 111.6549 60.4682 32.1945 175.8417 58 I 3.9364 6.5078 121.1197 62.7142 37.2546 175.9187 59 G 4.0097 9.1104 114.5238 45.3423 0.0000 174.0447 60 K 4.2160 7.8803 118.9262 55.5341 33.2812 175.2108 61 N 5.0132 8.2853 119.0438 52.3338 39.8469 175.4671 62 F 3.8395 9.0264 128.9659 61.2763 39.6026 177.1960 63 F 3.7709 7.6255 117.2203 59.5491 39.1955 176.9620 64 K 4.0071 8.3712 121.2279 58.7077 32.3426 176.7416 65 D 4.6380 7.8000 115.4556 55.7712 42.7508 177.9485 66 V 3.5715 7.5376 116.5865 64.9655 32.4377 175.9623 67 A 4.3358 7.2792 120.9920 49.5809 18.5207 174.8424 68 P 4.1246 0.0000 0.0000 64.9734 31.9492 179.1577 69 C 4.3372 7.7596 112.5469 60.2308 29.9493 174.1241 70 T 4.1951 7.7287 109.8115 61.4305 68.7908 174.2931 71 D 5.2150 7.6771 123.1991 53.3142 39.6367 174.8372 72 S 4.7644 8.0731 117.1246 56.0573 65.7798 174.6789 73 P 4.3772 0.0000 0.0000 65.8183 31.2019 178.6899 74 E 3.9531 8.2410 116.1194 58.0715 29.2368 175.8345 75 F 4.3868 7.2712 117.8450 58.3067 42.3893 175.6273 76 Y 4.1134 8.8782 120.3313 60.8421 38.9122 179.0150 77 G 3.6771 8.4691 108.1299 47.2662 0.0000 175.8159 78 K 4.2831 7.9368 121.9869 58.2213 31.9998 179.0632 79 F 4.2002 8.6111 121.4927 61.3284 39.3551 177.4325 80 K 3.6514 8.1804 118.3842 59.6910 31.8714 178.7962 81 E 3.9372 8.1156 120.0026 59.3557 29.4393 179.6506 82 G 3.6011 8.0357 105.5355 46.3963 0.0000 176.0454 83 V 3.1072 7.3167 119.9017 65.5761 31.5011 177.7305 84 A 4.0640 7.8233 119.7784 55.2051 18.0757 179.5544 85 S 4.2151 8.3398 112.7421 59.8530 62.9976 176.1119 86 G 4.0786 8.8663 111.2576 45.2887 0.0000 174.0063 87 N 4.9032 7.3649 113.3863 51.8135 40.9203 173.9628 88 L 3.7910 7.8179 121.1046 56.3557 42.9757 175.4164 89 N 5.0612 8.6734 119.1196 53.5722 40.6173 172.5868 90 T 4.8548 9.1553 119.6588 60.5061 71.6707 171.6742 91 M 5.3903 8.6392 126.8101 53.9198 35.3210 173.9322 92 F 5.0171 8.4270 119.2414 56.1529 41.8924 172.9353 93 E 4.9747 8.8947 118.9136 56.2779 31.0981 174.9014 94 Y 4.7776 8.6273 121.3187 57.2974 43.1682 173.0226 95 T 4.7887 8.0490 119.1488 61.7797 71.3866 173.4927 96 F 5.4130 9.2925 125.9785 55.8965 40.7984 176.4527 97 D 4.9522 8.8288 121.1001 53.3633 40.5389 173.8091 98 Y 4.5598 8.2491 120.9099 57.6209 39.6160 175.2055 99 Q 3.1848 8.1651 127.4270 56.0999 26.5280 173.0678 100 M 4.6427 7.4205 110.4705 54.2897 33.8359 174.3563 101 T 3.9702 8.3479 117.0281 62.8864 69.1480 172.6918 102 P 4.6046 0.0000 0.0000 63.7854 32.0935 175.7719 103 T 4.6341 9.0828 120.8463 61.4713 72.2613 173.5283 104 K 4.5796 8.6850 126.5759 56.5325 33.5892 176.6592 105 V 4.8529 8.8737 117.1538 59.6433 36.8582 173.9209 106 K 5.0013 8.8311 122.5515 54.6957 35.3772 174.7981 107 V 5.0006 8.5396 125.0718 61.2543 35.0556 173.7171 108 H 5.2609 9.4144 126.7471 54.8403 32.7084 171.6526 109 M 5.0987 9.1254 126.4382 53.7994 34.3740 175.3324 110 K 5.0328 8.9193 123.5763 54.5907 36.3393 175.0110 111 K 4.5298 9.0008 129.0532 56.8488 32.9047 175.8793 112 A 4.5692 8.8796 129.8233 52.1660 18.8129 178.7106 113 L 3.4526 8.4951 128.1644 58.0252 42.8509 177.7058 *116 D 4.5563 7.9028 115.8393 53.0972 42.0901 179.2888 117 S 4.5123 6.7086 110.5704 57.7414 67.5676 172.4851 118 Y 4.9228 8.3322 116.6464 56.4128 42.2070 174.8476 119 W 4.8089 9.3263 125.1399 55.9683 31.1009 175.6573 120 V 4.4451 8.8543 123.9388 61.3061 33.3716 174.0844 121 F 5.8228 9.0997 127.6111 56.0905 41.6795 175.3168 122 V 5.2496 9.3222 121.8800 61.2476 35.2354 174.1780 123 K 4.8619 8.7567 125.6678 54.9067 35.9735 175.8979 124 R 4.3951 8.6882 122.2539 56.5582 30.9578 177.1597 125 V 3.9315 8.0283 114.8236 61.6104 32.3010 175.6240 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 3 H 8.43 4.78 0.00 3.17 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.04 4.23 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 0.71 0.00 0.00 0.89 0.00 0.00 5 A 8.24 4.59 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 6 F 8.65 2.95 0.00 2.68 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.44 3.51 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 0.00 8 S 7.45 4.11 0.00 3.74 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 9 E 8.76 4.05 0.00 1.98 1.87 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 2.23 1.87 0.00 10 D 7.70 5.13 0.00 2.76 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 11 I 7.58 3.49 1.65 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.14 0.78 0.00 0.00 12 E 8.09 4.00 0.00 2.45 2.34 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 2.44 2.41 0.00 13 N 7.88 4.29 0.00 2.77 3.09 0.00 0.00 7.22 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 14 T 7.76 4.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 15 L 8.10 3.99 0.00 1.51 1.36 0.83 0.10 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 16 A 7.90 4.26 1.50 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 17 K 7.68 4.27 0.00 1.83 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.66 7.81 18 M 7.43 4.58 0.00 2.04 2.18 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 2.73 2.44 0.00 19 D 8.12 4.93 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.89 4.47 0.00 2.73 2.79 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 21 G 8.11 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 22 Q 8.07 4.13 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 23 L 7.96 3.95 0.00 1.90 1.79 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.70 4.56 0.00 2.81 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 25 G 7.65 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 26 L 6.77 3.80 0.00 1.22 0.46 0.63 0.59 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 27 A 8.09 4.13 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 28 F 6.65 5.13 0.00 3.37 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.35 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.60 5.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.10 4.97 1.66 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.45 0.81 0.00 0.00 32 Q 8.84 4.69 0.00 1.27 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 1.78 1.19 0.00 33 L 8.92 5.32 0.00 1.73 1.56 0.27 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.81 5.14 0.00 3.00 2.87 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 35 G 8.84 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 0.00 0.00 0.00 36 D 8.54 4.70 0.00 3.05 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 37 G 8.79 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 0.00 0.00 0.00 38 N 8.46 4.88 0.00 3.13 2.75 0.00 0.00 7.03 7.03 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 39 I 8.69 4.33 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 1.25 0.82 1.03 0.00 0.00 40 L 9.15 4.29 0.00 1.45 1.64 0.81 0.84 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 41 Q 7.70 4.71 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 42 Y 8.42 4.91 0.00 2.94 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 43 N 8.80 5.02 0.00 3.04 3.00 0.00 0.00 6.46 7.53 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 44 A 9.02 4.07 1.42 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 0.00 0.00 45 A 7.95 3.97 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 46 E 8.40 3.99 0.00 1.96 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 1.47 2.15 0.00 47 G 8.11 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.99 4.43 0.00 2.92 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 49 I 7.47 4.06 2.16 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 1.64 0.73 1.08 0.00 0.00 50 T 8.05 4.64 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 1.50 0.00 0.00 51 G 8.45 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 0.00 0.00 0.00 52 R 7.63 4.12 0.00 1.91 1.65 0.00 3.28 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 53 D 8.45 4.55 0.00 2.74 2.56 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 54 P 0.00 4.23 0.00 2.29 2.63 0.00 3.71 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 55 K 8.08 4.19 0.00 1.71 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 56 Q 7.85 4.11 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 57 V 7.36 4.00 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 0.66 0.00 0.00 0.06 0.00 0.00 58 I 6.51 3.94 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.97 0.00 0.00 59 G 9.11 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 0.00 0.00 0.00 60 K 7.88 4.22 0.00 1.92 1.67 0.00 1.56 0.00 0.00 1.50 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.31 7.81 61 N 8.29 5.01 0.00 2.70 2.63 0.00 0.00 6.51 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.03 3.84 0.00 2.73 2.31 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 63 F 7.63 3.77 0.00 2.44 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 0.00 0.00 0.00 0.00 64 K 8.37 4.01 0.00 1.66 1.74 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.35 7.81 65 D 7.80 4.64 0.00 2.70 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 66 V 7.54 3.57 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 0.65 0.00 0.00 0.81 0.00 0.00 67 A 7.28 4.34 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.12 0.00 1.83 1.88 0.00 3.36 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.00 69 C 7.76 4.34 0.00 3.24 3.22 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 70 T 7.73 4.20 2.69 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 0.58 0.00 0.00 71 D 7.68 5.22 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.07 4.76 0.00 4.31 4.10 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 73 P 0.00 4.38 0.00 2.21 2.14 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 74 E 8.24 3.95 0.00 2.23 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 0.00 2.40 2.38 0.00 75 F 7.27 4.39 0.00 2.80 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 76 Y 8.88 4.11 0.00 2.89 3.07 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 77 G 8.47 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 78 K 7.94 4.28 0.00 1.91 1.88 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.38 7.81 79 F 8.61 4.20 0.00 3.44 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 80 K 8.18 3.65 0.00 1.89 1.88 0.00 1.11 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.00 1.55 7.81 81 E 8.12 3.94 0.00 2.15 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 2.27 2.31 0.00 82 G 8.04 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 83 V 7.32 3.11 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 0.52 0.00 0.00 -0.86 0.00 0.00 84 A 7.82 4.06 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 85 S 8.34 4.22 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.87 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 87 N 7.36 4.90 0.00 2.57 2.81 0.00 0.00 6.85 7.73 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 88 L 7.82 3.79 0.00 1.80 1.83 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.67 5.06 0.00 2.76 2.72 0.00 0.00 6.91 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 90 T 9.16 4.85 4.34 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 1.42 0.00 0.00 91 M 8.64 5.39 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 92 F 8.43 5.02 0.00 3.26 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.89 4.97 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 94 Y 8.63 4.78 0.00 3.39 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 95 T 8.05 4.79 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 1.27 0.00 0.00 96 F 9.29 5.41 0.00 3.04 2.94 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 97 D 8.83 4.95 0.00 2.78 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 98 Y 8.25 4.56 0.00 2.83 2.88 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 99 Q 8.17 3.18 0.00 1.77 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 100 M 7.42 4.64 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.86 0.00 101 T 8.35 3.97 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 0.00 102 P 0.00 4.60 0.00 1.96 2.07 0.00 3.64 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 2.18 0.00 103 T 9.08 4.63 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 1.25 0.00 0.00 104 K 8.69 4.58 0.00 1.69 1.70 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.47 7.81 105 V 8.87 4.85 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 0.62 0.00 0.00 0.19 0.00 0.00 106 K 8.83 5.00 0.00 1.77 1.41 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.21 7.81 107 V 8.54 5.00 0.67 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 0.41 0.00 0.00 0.89 0.00 0.00 108 H 9.41 5.26 0.00 2.90 2.87 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.13 5.10 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 110 K 8.92 5.03 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.64 7.81 111 K 9.00 4.53 0.00 1.97 1.78 0.00 2.05 0.00 0.00 1.73 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.23 7.81 112 A 8.88 4.57 0.92 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 0.00 113 L 8.50 3.45 0.00 1.71 1.69 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *116 D 7.90 4.56 0.00 2.76 2.61 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 0.00 117 S 6.71 4.51 0.00 3.63 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 0.00 118 Y 8.33 4.92 0.00 3.24 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 0.00 119 W 9.33 4.81 0.00 2.84 1.74 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 0.00 120 V 8.85 4.45 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.86 0.00 0.00 121 F 9.10 5.82 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 9.32 5.25 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 1.15 0.00 0.00 1.31 0.00 0.00 123 K 8.76 4.86 0.00 1.53 1.26 0.00 0.92 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.90 7.81 124 R 8.69 4.40 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 125 V 8.03 3.93 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 0.57 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.