NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7973 8.3544 109.7463 48.0913 0.0000 175.4193 3 F 3.6789 7.9899 112.8640 59.5479 37.8513 173.6520 4 N 4.6888 8.7375 129.0241 52.2595 37.9625 175.0417 5 V 4.2282 6.9541 110.4319 59.1482 35.1373 175.8304 6 K 4.5518 8.5419 123.7918 54.6917 34.1204 175.3805 7 T 4.7068 8.0367 112.1408 58.7607 72.0581 171.2162 8 P 4.5173 0.0000 0.0000 62.3620 32.1636 176.6127 9 L 4.3403 8.6701 121.1894 54.6813 43.3076 175.7833 10 L 5.1618 8.5746 123.0075 53.5419 44.4199 175.0226 11 A 5.2360 9.1289 127.0077 50.7373 23.6200 174.1474 12 T 5.0988 8.8767 112.6115 61.1000 71.3034 172.3714 13 D 5.4405 8.9370 126.7292 52.5128 45.4218 174.7319 14 V 4.8681 8.2979 119.5816 61.3704 34.7780 175.1165 15 I 4.0330 8.8879 129.1522 60.2062 38.3017 175.1336 16 I 4.6654 8.0716 129.6502 59.8867 38.5837 175.6696 17 R 4.7334 9.2286 128.7804 55.7686 31.0310 175.7180 18 L 5.0358 8.7670 127.3649 53.8512 43.6060 175.4175 19 W 5.3284 9.4230 124.7987 55.0852 33.5560 174.0702 20 D 5.0514 9.3734 121.6409 52.0757 41.5239 176.3905 21 G 4.1876 8.8306 117.0321 46.0928 0.0000 172.4063 22 E 4.4722 8.9400 124.1667 56.2125 29.8766 175.3033 23 N 4.8047 8.1328 119.0495 51.9329 39.0922 174.1567 24 F 3.9361 8.6693 126.3312 57.4150 40.0246 175.0443 25 K 4.0113 8.0828 126.7229 55.5175 34.1429 175.8319 26 G 3.3118 5.3800 104.6136 43.8610 0.0000 172.0575 27 I 5.1997 8.5673 122.2385 58.4319 41.3654 175.8128 28 V 4.5876 8.2872 127.2727 61.7608 32.3894 174.8388 29 L 5.0840 9.1554 127.6361 53.0002 45.9480 175.3045 30 I 4.9602 9.1329 120.7484 59.7663 40.7081 175.0660 31 E 4.9210 9.1630 127.0134 54.9258 29.9298 175.5891 32 R 4.3609 9.0879 125.3996 56.2098 30.8501 177.8353 33 K 4.2318 8.3199 121.2238 57.2689 33.6446 176.7082 34 Y 4.7704 7.6347 116.6551 55.5246 39.3142 173.4776 35 P 4.4018 0.0000 0.0000 62.2988 31.8036 174.4520 36 P 4.1916 0.0000 0.0000 62.1419 31.7531 176.0071 37 V 3.7910 8.3908 123.5999 60.9295 32.2821 176.0815 38 G 3.8664 7.1822 113.6537 45.1987 0.0000 170.2137 39 L 4.9011 7.9437 121.7767 54.8070 43.4026 176.3094 40 A 5.1185 9.0732 126.0150 50.6558 23.2136 175.5331 41 L 4.5783 8.7302 119.3411 53.8783 42.8218 175.4960 42 P 4.5371 0.0000 0.0000 62.4503 32.8558 175.9819 43 G 4.2976 7.7809 110.0334 46.2326 0.0000 170.9741 44 G 3.9791 7.3908 104.9885 46.1527 0.0000 173.0290 45 F 4.9544 8.7324 118.3995 57.3346 39.8072 175.7312 46 V 4.1645 8.7466 122.8534 62.1870 32.4778 175.8008 47 E 4.3966 9.3386 127.4377 55.1968 30.5280 176.3545 48 V 3.7684 8.0913 121.4177 64.3966 32.0525 176.4693 49 G 3.9387 8.9881 113.8839 45.4964 0.0000 172.4220 50 E 4.6942 7.7039 119.0613 53.7132 32.1989 176.5506 51 R 4.2452 8.7810 124.5382 55.6328 32.2250 178.1561 52 V 3.6987 8.4326 121.3354 66.5548 31.6536 178.4256 53 E 3.4946 8.1683 117.5746 59.2029 29.1360 179.0976 54 E 3.9371 7.9644 118.1345 59.1575 29.5706 178.9246 55 A 4.1037 8.2573 120.7741 54.9227 18.1886 179.6029 56 A 3.8986 7.9698 118.2908 55.3026 18.5844 179.3473 57 A 4.0087 7.6141 117.9299 55.2064 18.7305 179.5945 58 R 4.0258 8.2022 117.2941 59.4573 30.2407 180.0998 59 E 4.1280 8.2534 117.4261 56.6829 29.5097 179.2706 *61 R 4.4591 8.0026 119.9802 56.4008 32.3970 177.5552 62 E 3.8780 8.3903 118.6601 59.4686 29.9961 178.9343 63 E 4.3498 9.1454 119.2691 58.0394 30.7891 178.0365 64 T 4.3892 7.9780 107.0664 59.8643 71.0794 176.0277 65 G 4.3614 8.1636 109.2493 45.8427 0.0000 173.2354 66 L 4.4925 7.4995 118.2369 53.0432 43.1939 176.6011 67 E 4.3271 8.4287 122.6130 54.8194 28.7768 174.3630 68 V 4.3814 7.9547 125.0728 61.3116 33.3862 174.7135 69 R 4.4142 8.6378 128.7901 54.5762 31.1211 175.4021 70 L 4.2702 8.4731 127.1157 55.5946 41.6734 176.4818 71 H 4.8596 9.4289 122.5627 57.1902 32.3432 174.1341 72 K 4.7045 7.8347 116.9749 55.0554 35.4443 175.1415 73 L 4.2129 8.7155 128.8062 54.6752 43.5200 175.3756 *75 G 3.7033 8.3190 108.6689 46.0552 0.0000 171.4495 76 V 4.8607 7.7087 118.3672 61.1206 34.1879 173.9737 77 Y 4.5943 9.0567 126.1134 55.8439 40.1893 176.4761 78 S 4.8751 8.4876 117.9512 57.6670 64.3867 173.3783 79 D 4.4119 8.4011 120.6195 54.7527 41.2888 175.2604 80 P 3.9173 0.0000 0.0000 65.3529 31.3966 176.8032 81 E 4.5500 8.3815 114.8678 55.8210 29.5411 176.9464 82 R 4.0824 8.1536 118.1543 58.2444 28.7259 176.0924 83 D 5.4578 7.9682 118.1303 51.3421 43.2752 174.5734 84 P 4.5921 0.0000 0.0000 65.5687 31.9036 177.9562 85 R 4.0031 8.5745 117.8593 58.8259 30.0405 176.0468 86 A 4.2445 6.9585 117.7332 51.4207 22.6622 174.9633 87 H 4.5260 8.4200 119.3825 56.5727 30.5305 173.9523 88 V 4.9490 8.5281 125.8774 61.0350 34.0539 174.5152 89 V 4.5693 8.7755 127.7480 61.2347 33.7853 174.0171 90 S 5.0557 8.9083 122.4967 56.4780 65.3352 172.7145 91 V 4.2739 8.6652 127.7001 61.7164 32.4529 174.4513 92 V 4.6812 8.3939 129.3373 61.3140 32.7490 175.0890 93 W 5.0397 8.9495 126.7916 54.9836 33.1822 174.2981 94 I 4.8211 8.8322 122.5568 59.7819 39.4079 175.3593 95 G 4.5961 9.3015 113.2027 44.8495 0.0000 170.5093 96 D 5.8500 8.8517 117.4936 52.8838 45.3861 175.1100 97 A 5.0143 9.0898 120.8863 51.1443 23.1207 175.2873 98 Q 5.1310 8.3080 117.7905 54.0759 32.4647 175.9462 99 G 3.8303 8.8583 107.6031 45.0674 0.0000 171.9433 100 E 4.5394 8.2794 117.8140 53.8947 30.8508 174.6621 101 P 4.7808 0.0000 0.0000 62.4358 33.1182 175.3467 102 K 4.2734 8.7741 117.1028 55.2364 35.5725 174.5004 103 A 4.3365 8.5435 129.1676 51.9711 18.6813 177.5144 104 G 3.9082 8.5745 106.7844 44.9239 0.0000 173.7878 105 S 4.5810 7.2813 112.4541 57.2744 64.9840 175.0393 106 D 4.4520 8.7493 125.4245 56.0590 40.9080 177.1105 107 A 4.1020 7.6975 121.4781 53.3737 19.0860 176.7462 108 K 5.0039 7.7458 114.6686 54.2359 32.3823 175.3086 109 K 4.2020 8.4517 121.3759 56.1919 33.5299 176.7190 110 V 4.5904 8.2965 118.0297 60.6031 33.1109 175.4917 111 K 4.4632 8.9094 124.5971 54.8480 36.0238 174.6627 112 V 4.7017 8.0879 126.3820 61.4880 33.1994 174.2663 113 Y 4.8332 8.7824 125.2875 55.9386 41.4310 175.8202 114 R 4.2385 8.6216 122.1986 55.8442 30.9658 177.8840 115 L 4.1393 8.4734 120.7962 57.8435 41.7923 178.4107 116 E 4.2576 8.1540 115.9421 57.6521 29.8135 176.8484 117 E 4.6611 7.9298 117.5995 55.8580 30.1206 175.7233 118 I 3.5186 7.7085 120.8939 60.3385 37.6637 175.3722 119 P 4.4891 0.0000 0.0000 61.0700 29.7226 176.2248 120 L 3.9214 8.1826 127.8260 58.6532 42.0122 179.5004 121 D 4.3892 7.9837 116.4256 55.4916 39.6540 176.9483 122 K 4.2868 8.1723 118.6746 56.2794 32.6075 176.3429 123 L 4.5908 7.4259 120.1848 54.5656 42.4144 177.1306 124 V 4.1675 8.2792 116.4283 60.4150 34.7162 176.1925 125 F 3.8517 8.0548 118.2641 58.6184 37.0873 176.1572 126 D 4.9960 8.5694 126.0804 54.5988 39.6651 178.1667 127 H 4.2519 8.2093 119.4254 58.7770 28.3695 177.4971 128 K 3.9217 7.9700 121.7819 59.1953 32.1973 178.3761 129 K 3.9100 8.0016 119.4383 59.6235 32.1652 178.6079 130 I 3.3872 7.4986 119.8702 64.4333 36.8965 178.5702 131 I 3.8489 7.9945 120.9215 64.3681 36.8042 178.5725 132 L 4.0574 8.2713 120.0802 57.8334 41.3630 179.1890 133 D 4.4675 8.3516 118.9510 57.2678 40.7916 178.6394 134 F 4.4711 8.4698 121.0501 61.6082 39.2910 177.2300 135 L 3.7739 8.1503 117.3204 57.2936 41.4975 178.8167 136 K 4.3188 8.2770 115.9758 55.5800 32.2991 177.1725 137 G 3.6160 7.7294 107.1155 46.5859 0.0000 175.2243 138 N 4.6491 8.3037 118.5272 50.3631 36.9866 175.1518 139 Y 4.4073 6.9617 119.2079 57.5613 37.4207 175.1312 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 2 G 8.35 3.80 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 0.00 0.00 0.00 3 F 7.99 3.68 0.00 3.06 3.15 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 4 N 8.74 4.69 0.00 2.68 2.72 0.00 0.00 7.00 7.68 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 5 V 6.95 4.23 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 -0.20 0.00 0.00 0.51 0.00 0.00 6 K 8.54 4.55 0.00 1.67 1.68 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.33 7.81 7 T 8.04 4.71 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 8 P 0.00 4.52 0.00 1.84 1.67 0.00 3.65 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 1.92 2.04 0.00 9 L 8.67 4.34 0.00 1.79 1.70 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.57 5.16 0.00 1.80 1.58 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.13 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.88 5.10 4.39 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 1.37 0.00 0.00 13 D 8.94 5.44 0.00 2.50 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 4.87 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 0.82 0.00 0.00 1.02 0.00 0.00 15 I 8.89 4.03 1.46 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.30 -0.10 0.00 0.00 16 I 8.07 4.67 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.19 0.97 0.00 0.00 17 R 9.23 4.73 0.00 2.41 2.26 0.00 3.17 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 18 L 8.77 5.04 0.00 1.76 1.39 1.03 0.67 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 19 W 9.42 5.33 0.00 3.32 3.34 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 20 D 9.37 5.05 0.00 2.60 2.54 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 0.00 0.00 0.00 0.00 21 G 8.83 4.19 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 0.00 22 E 8.94 4.47 0.00 2.07 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 2.29 2.36 0.00 23 N 8.13 4.80 0.00 2.95 2.80 0.00 0.00 6.61 8.58 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 24 F 8.67 3.94 0.00 1.81 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 25 K 8.08 4.01 0.00 1.46 1.59 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.40 7.81 26 G 5.38 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.57 5.20 1.94 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 1.09 2.78 1.05 0.00 0.00 28 V 8.29 4.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 29 L 9.16 5.08 0.00 1.82 1.63 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 9.13 4.96 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 1.00 0.00 0.00 31 E 9.16 4.92 0.00 1.90 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 2.32 2.34 0.00 32 R 9.09 4.36 0.00 1.89 2.01 0.00 3.32 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 33 K 8.32 4.23 0.00 1.14 1.52 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 34 Y 7.63 4.77 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 35 P 0.00 4.40 0.00 2.19 2.09 0.00 3.98 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 2.05 2.05 0.00 36 P 0.00 4.19 0.00 1.40 1.69 0.00 3.48 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.87 0.00 37 V 8.39 3.79 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 0.80 0.00 0.00 0.99 0.00 0.00 38 G 7.18 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 39 L 7.94 4.90 0.00 1.75 1.57 1.08 0.96 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 40 A 9.07 5.12 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 41 L 8.73 4.58 0.00 1.32 1.50 0.63 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.54 0.00 2.12 2.18 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 43 G 7.78 4.30 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 0.00 44 G 7.39 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.73 4.95 0.00 3.01 2.95 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 0.00 0.00 0.00 0.00 46 V 8.75 4.16 2.26 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 0.81 0.00 0.00 1.02 0.00 0.00 47 E 9.34 4.40 0.00 2.26 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 48 V 8.09 3.77 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 0.78 0.00 0.00 0.94 0.00 0.00 49 G 8.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.70 4.69 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 51 R 8.78 4.25 0.00 1.98 1.84 0.00 3.18 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 52 V 8.43 3.70 2.38 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 1.49 0.00 0.00 1.05 0.00 0.00 53 E 8.17 3.49 0.00 1.92 1.65 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 1.89 1.47 0.00 54 E 7.96 3.94 0.00 2.14 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 2.36 2.34 0.00 55 A 8.26 4.10 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 56 A 7.97 3.90 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 57 A 7.61 4.01 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 58 R 8.20 4.03 0.00 1.96 2.09 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 59 E 8.25 4.13 0.00 2.20 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 0.00 2.51 2.58 0.00 *61 R 8.00 4.46 0.00 2.03 2.01 0.00 3.12 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 62 E 8.39 3.88 0.00 2.12 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 0.00 2.33 2.32 0.00 63 E 9.15 4.35 0.00 2.14 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 2.32 2.28 0.00 64 T 7.98 4.39 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 1.22 0.00 0.00 65 G 8.16 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.50 4.49 0.00 1.67 1.61 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.43 4.33 0.00 1.89 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 2.20 2.32 0.00 68 V 7.95 4.38 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 0.88 0.00 0.00 0.95 0.00 0.00 69 R 8.64 4.41 0.00 1.92 1.79 0.00 3.13 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 70 L 8.47 4.27 0.00 1.32 1.36 -0.11 0.88 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 71 H 9.43 4.86 0.00 3.19 3.55 0.00 5.98 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.83 4.70 0.00 1.95 1.69 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.56 7.81 73 L 8.72 4.21 0.00 1.59 1.53 -0.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 *75 G 8.32 3.70 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 0.00 0.00 0.00 76 V 7.71 4.86 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 0.78 0.00 0.00 0.78 0.00 0.00 77 Y 9.06 4.59 0.00 2.90 3.03 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 78 S 8.49 4.88 0.00 3.97 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 79 D 8.40 4.41 0.00 2.78 2.68 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 80 P 0.00 3.92 0.00 2.03 1.99 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 81 E 8.38 4.55 0.00 1.98 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 2.28 2.23 0.00 82 R 8.15 4.08 0.00 2.17 2.29 0.00 2.89 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.66 0.00 83 D 7.97 5.46 0.00 2.73 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 84 P 0.00 4.59 0.00 2.24 2.19 0.00 4.06 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 2.05 1.95 0.00 85 R 8.57 4.00 0.00 2.13 2.15 0.00 3.38 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 86 A 6.96 4.24 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 87 H 8.42 4.53 0.00 3.25 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.53 4.95 2.14 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 0.91 0.00 0.00 1.27 0.00 0.00 89 V 8.78 4.57 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 1.01 0.00 0.00 0.87 0.00 0.00 90 S 8.91 5.06 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.67 4.27 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 0.29 0.00 0.00 0.89 0.00 0.00 92 V 8.39 4.68 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 0.71 0.00 0.00 0.91 0.00 0.00 93 W 8.95 5.04 0.00 3.29 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 94 I 8.83 4.82 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.54 1.05 0.00 0.00 95 G 9.30 4.60 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 96 D 8.85 5.85 0.00 2.62 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 97 A 9.09 5.01 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 98 Q 8.31 5.13 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.51 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 99 G 8.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.28 4.54 0.00 1.95 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 2.20 0.00 101 P 0.00 4.78 0.00 2.06 2.06 0.00 3.78 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 1.95 1.93 0.00 102 K 8.77 4.27 0.00 1.67 1.66 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.42 7.81 103 A 8.54 4.34 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 0.00 104 G 8.57 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 0.00 105 S 7.28 4.58 0.00 3.86 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 0.00 106 D 8.75 4.45 0.00 2.66 2.68 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 0.00 107 A 7.70 4.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 5.00 0.00 1.61 1.73 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.59 7.81 109 K 8.45 4.20 0.00 1.75 1.71 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.39 7.81 110 V 8.30 4.59 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 0.65 0.00 0.00 0.93 0.00 0.00 111 K 8.91 4.46 0.00 1.73 1.52 0.00 1.20 0.00 0.00 1.38 0.00 0.00 2.64 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.78 0.39 7.81 112 V 8.09 4.70 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 0.77 0.00 0.00 0.84 0.00 0.00 113 Y 8.78 4.83 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 114 R 8.62 4.24 0.00 1.99 1.99 0.00 3.09 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 115 L 8.47 4.14 0.00 1.75 1.87 1.24 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.15 4.26 0.00 1.96 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 2.32 2.41 0.00 117 E 7.93 4.66 0.00 2.03 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 2.25 2.26 0.00 118 I 7.71 3.52 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.72 0.00 0.00 119 P 0.00 4.49 0.00 2.11 2.10 0.00 2.81 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 120 L 8.18 3.92 0.00 1.70 1.77 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.98 4.39 0.00 2.76 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 0.00 122 K 8.17 4.29 0.00 1.86 1.83 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.35 7.81 123 L 7.43 4.59 0.00 1.68 1.60 0.90 1.21 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 0.00 124 V 8.28 4.17 1.54 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 0.69 0.00 0.00 0.65 0.00 0.00 125 F 8.05 3.85 0.00 2.91 2.71 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 0.00 0.00 0.00 0.00 126 D 8.57 5.00 0.00 2.83 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 0.00 127 H 8.21 4.25 0.00 3.38 3.37 0.00 5.63 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 0.00 128 K 7.97 3.92 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 129 K 8.00 3.91 0.00 1.89 2.01 0.00 1.88 0.00 0.00 2.01 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.63 7.81 130 I 7.50 3.39 1.59 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.11 0.62 0.00 0.00 131 I 7.99 3.85 1.98 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 1.51 0.74 0.99 0.00 0.00 132 L 8.27 4.06 0.00 1.79 1.76 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.35 4.47 0.00 3.09 2.98 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 0.00 0.00 0.00 134 F 8.47 4.47 0.00 3.13 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 0.00 135 L 8.15 3.77 0.00 1.79 1.71 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.28 4.32 0.00 1.86 1.83 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.61 7.81 137 G 7.73 3.62 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 0.00 0.00 0.00 138 N 8.30 4.65 0.00 2.91 2.86 0.00 0.00 6.69 7.05 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 0.00 139 Y 6.96 4.41 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.