NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3418 8.3033 121.4892 55.6049 31.0526 177.0335 7 R 3.7661 9.3886 116.5820 58.5043 29.8591 175.9834 8 F 4.2839 9.2386 121.2723 61.8834 39.6609 176.8877 9 Q 3.8019 8.1751 116.6025 58.7980 28.7524 178.2833 10 L 3.9872 7.7998 119.3219 57.6992 41.5413 179.5488 11 A 3.8689 8.6140 121.0318 54.9413 18.3414 179.3735 12 V 3.3378 7.5313 116.9387 66.6568 31.2215 178.3486 13 S 4.1545 8.3940 111.6485 61.1621 62.3055 176.0651 14 G 3.6313 7.9202 107.6070 47.0941 0.0000 174.8608 15 A 4.0944 8.3981 121.4943 51.6703 19.5250 177.0013 16 S 3.3657 7.7812 112.1506 59.3613 60.6292 171.7268 17 A 4.8983 7.7692 119.7929 50.3337 21.4038 178.1156 18 G 4.2322 9.0964 108.1753 45.0769 0.0000 172.3970 19 L 5.5766 9.1616 125.2246 52.8086 44.8161 175.2168 20 W 6.1185 8.6305 121.4768 53.9072 32.2454 173.8775 21 D 4.9044 9.0444 120.3583 53.0439 43.2690 173.8418 22 W 5.2429 9.3460 135.0000 55.7024 33.9388 173.7289 23 N 4.6429 8.9543 126.2816 51.5274 38.9784 173.9355 24 P 2.9700 0.0000 0.0000 63.7162 31.7276 177.7593 25 K 4.1456 9.0825 118.7201 57.7696 32.6160 177.6838 26 T 4.2048 8.0951 106.9572 61.1641 70.0960 175.5593 27 G 3.9639 8.2050 109.2883 44.5690 0.0000 172.9792 28 A 5.0982 7.5266 121.5579 51.2505 20.5887 175.5052 *30 Y 4.7749 8.1965 117.8793 57.8066 40.2539 173.9046 31 L 4.2730 8.4148 127.3920 52.2797 43.3877 176.6437 32 S 3.9579 7.9913 119.4973 57.4896 63.9814 173.8268 33 P 4.3719 0.0000 0.0000 66.2681 30.9834 178.4114 34 H 4.2237 8.2783 116.2683 58.5312 29.6123 176.8261 35 F 3.9988 8.3056 121.7713 61.2080 39.5437 176.7433 36 K 4.2802 8.1306 117.5174 59.4331 31.6980 178.9552 37 K 4.0012 7.8611 118.4153 59.6798 32.0527 179.8223 38 I 3.7698 7.4100 117.6365 61.4615 37.4987 177.0559 *40 G 3.7652 7.9366 106.5966 45.0275 0.0000 172.7162 41 Y 4.6406 7.9314 117.5502 55.6572 39.9237 175.8336 42 E 4.1302 8.8353 123.6087 56.2899 30.0592 177.6791 43 D 4.5241 8.5960 120.2957 56.1834 41.4027 176.2405 44 H 4.9340 7.6260 111.5325 55.8885 29.7951 174.6220 45 E 4.2734 8.2312 120.0334 58.0755 29.7782 176.7286 46 L 4.6626 7.5341 117.2120 51.7840 43.8514 174.5346 47 P 4.4338 0.0000 0.0000 62.7482 32.2863 176.5877 48 D 4.3720 8.8769 121.1463 56.7198 41.0118 175.9825 49 E 4.8129 8.0333 120.0109 54.1156 31.1872 175.3112 50 I 4.2403 7.9923 119.9373 60.4709 39.7827 175.3059 51 T 4.6412 7.7547 114.2197 62.4839 68.7741 174.0575 *55 E 4.3220 7.9692 121.9572 56.0437 32.0167 175.9835 56 S 4.6235 7.9094 111.4804 58.8724 64.3839 173.9052 57 I 4.7880 7.5750 114.7555 59.8800 39.1338 175.0558 58 H 3.7392 9.1313 124.8041 56.3565 30.1093 174.1646 59 P 4.2211 0.0000 0.0000 65.8703 31.3259 177.5821 60 D 4.7343 8.2533 114.6902 55.2725 41.3330 176.6955 61 D 4.8097 8.1733 119.1159 54.1639 42.5658 178.1292 62 R 3.7521 7.5553 118.4072 59.0386 30.0451 178.2143 63 A 3.8994 7.8213 120.0944 55.1893 18.5523 179.1325 64 R 3.7979 7.9713 116.7367 59.8782 29.9471 178.6725 65 V 3.5239 7.5494 117.3372 65.7066 31.4570 177.9731 66 L 3.9123 7.7799 118.4288 57.7422 41.5722 179.3821 67 A 4.0958 8.2228 120.5476 55.0336 18.2970 179.5957 68 A 4.0547 8.1697 119.4541 55.0358 18.4223 179.6425 69 L 3.8806 8.4282 119.2007 58.3975 42.3615 179.1544 70 K 4.0123 8.7454 119.6575 59.4763 32.0706 178.6041 71 A 4.1479 8.1204 120.9130 55.1503 18.3340 179.1291 72 H 4.6866 8.2723 118.1936 59.2218 29.8467 177.6577 73 L 4.5055 8.2422 119.4079 57.1573 41.5616 178.3307 74 E 4.5170 8.0818 115.8942 56.6882 29.5768 176.3616 75 H 4.6960 7.8792 112.7454 54.7606 31.9899 174.3162 76 R 4.1688 8.1045 117.1253 56.8786 27.8879 176.1227 77 D 4.5553 7.5000 118.6875 54.2358 41.3407 176.2050 78 T 3.8892 8.5690 119.1169 64.8654 69.0779 173.0103 79 Y 4.5103 8.5553 127.0913 56.3012 39.9613 173.8150 80 D 4.5499 7.9563 126.4552 53.2064 43.7448 174.5248 81 V 4.5511 8.5676 119.0962 59.8407 36.5153 173.9048 82 E 5.4360 8.7194 123.7366 55.0324 31.7319 174.7365 83 Y 4.7218 8.8335 120.6125 56.3508 42.0668 173.2671 84 R 4.5383 8.6811 119.9757 55.1629 31.9417 176.2071 85 V 5.0787 8.8533 116.3637 59.5130 35.6484 174.6565 86 R 4.3034 9.1194 125.1577 55.6983 30.9201 176.0008 87 T 4.5440 8.5121 116.3701 59.2486 71.2980 175.0513 88 R 3.8041 8.4424 121.5566 59.4008 29.8402 177.6166 89 S 4.0827 7.7937 111.5005 60.4682 63.2200 174.6811 90 G 3.9184 8.2278 108.0907 45.2838 0.0000 173.9499 91 D 4.4844 8.0687 120.7195 54.4643 41.8978 175.7748 92 F 4.9213 8.6993 121.2455 57.0185 40.2667 175.2579 93 R 4.8265 9.2263 121.3888 54.1448 34.1535 174.6311 94 W 5.0504 8.8864 122.1098 55.8148 30.7033 175.5416 95 I 4.8089 8.8272 118.4000 59.0140 40.5362 174.0969 96 Q 4.8884 8.6445 125.4171 55.1513 31.0868 173.9678 97 S 5.2575 9.1509 120.7871 56.5206 65.8295 172.4774 98 R 5.4027 7.4857 126.3927 53.5945 33.2224 174.0501 99 G 4.4652 8.6746 110.7226 45.3235 0.0000 171.8696 100 Q 4.5918 8.6626 121.1497 54.1887 31.4392 174.6454 101 A 4.2237 8.8940 128.2084 51.4950 19.9050 176.0064 102 L 4.2596 8.0397 119.0564 52.4071 44.5702 176.2397 103 W 5.1767 8.6028 121.6507 54.7078 32.5011 175.0964 104 N 4.9822 9.0560 119.3249 51.7202 38.2185 176.0784 105 S 4.2240 8.6033 111.6518 60.1488 63.0776 174.5459 106 A 4.3240 8.2295 122.9180 51.8112 19.0228 177.6394 107 G 3.8878 8.8198 104.4495 45.9094 0.0000 173.4635 108 E 4.4652 8.6196 120.6519 54.3532 30.1792 174.4783 109 P 4.5362 0.0000 0.0000 62.7122 32.0856 175.6083 110 Y 4.6002 7.4767 116.7802 56.3690 39.4484 174.6152 111 R 4.6014 6.4261 118.5208 56.7048 32.9355 172.8250 *113 V 3.8788 8.0240 109.8284 61.8213 33.4272 175.9039 114 G 3.6215 6.7835 108.3034 45.7516 0.0000 171.9416 115 W 6.0616 8.1654 115.9182 55.4114 32.2017 174.5156 116 I 6.2369 9.0604 114.6009 58.5621 40.7651 172.9108 *118 D 4.7137 8.5811 120.1257 55.0738 41.8552 176.1383 119 V 4.5022 8.8549 119.2446 61.3311 32.7920 177.9002 120 T 4.0658 8.7011 120.1808 67.0751 68.2723 176.2599 121 D 4.3507 8.0357 120.2788 57.1710 40.9260 178.5715 122 R 3.8209 7.8882 118.7664 59.4157 30.1570 178.4442 123 K 3.5679 7.9451 118.1767 59.3014 31.7712 179.1860 124 R 3.9046 8.2007 118.5916 59.6889 30.1035 178.8076 125 D 4.3167 7.9580 118.0334 57.4245 40.8393 178.6977 126 E 3.9142 8.2109 119.1242 59.5181 29.4134 179.0075 127 D 4.2865 8.1599 117.8301 57.0713 41.2575 178.0901 128 A 3.9816 8.2275 121.8486 54.8509 18.2741 179.4547 129 L 3.8207 7.9895 118.8410 58.2437 42.1654 178.8845 130 R 3.8414 7.8990 118.6983 59.7044 29.9060 178.5927 131 V 3.7325 7.9221 117.7647 66.0479 31.4349 178.1689 132 S 4.2673 8.1014 114.9594 61.6873 62.6777 176.8752 133 R 3.9095 8.1753 120.8013 59.2789 29.5650 178.4771 134 E 3.8940 8.1307 117.3717 59.7956 29.8219 178.9298 135 E 4.0962 8.5651 118.2889 59.5573 29.7562 179.1959 136 L 3.9253 8.1904 120.3447 58.5347 41.9347 179.3341 137 R 4.0344 7.8726 116.2894 58.3500 30.0307 178.1166 138 R 4.4058 7.5577 113.7204 56.1213 30.1775 176.3160 139 L 4.1478 7.6460 124.4834 55.2967 41.5800 176.6883 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 6 E 8.30 4.34 0.00 2.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 7 R 9.39 3.77 0.00 2.05 2.04 0.00 3.23 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 8 F 9.24 4.28 0.00 3.02 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 9 Q 8.18 3.80 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 10 L 7.80 3.99 0.00 1.73 1.70 0.92 0.79 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 11 A 8.61 3.87 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 12 V 7.53 3.34 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 0.90 0.00 0.00 0.34 0.00 0.00 13 S 8.39 4.15 0.00 3.80 3.82 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 14 G 7.92 3.63 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 0.00 0.00 0.00 15 A 8.40 4.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.78 3.37 0.00 3.91 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 17 A 7.77 4.90 1.05 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 18 G 9.10 4.23 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 0.00 0.00 0.00 19 L 9.16 5.58 0.00 1.78 1.63 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.63 6.12 0.00 3.34 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 21 D 9.04 4.90 0.00 2.98 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 22 W 9.35 5.24 0.00 3.57 3.32 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 23 N 8.95 4.64 0.00 2.69 2.54 0.00 0.00 7.02 7.35 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 24 P 0.00 2.97 0.00 1.62 1.21 0.00 3.36 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 0.00 25 K 9.08 4.15 0.00 1.65 1.79 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.31 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.39 7.81 26 T 8.10 4.20 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 1.21 0.00 0.00 27 G 8.21 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 0.00 0.00 0.00 28 A 7.53 5.10 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 *30 Y 8.20 4.77 0.00 3.30 2.96 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 31 L 8.41 4.27 0.00 1.15 1.03 0.69 0.05 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 32 S 7.99 3.96 0.00 3.97 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 33 P 0.00 4.37 0.00 2.24 2.27 0.00 3.67 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 2.18 2.35 0.00 34 H 8.28 4.22 0.00 3.29 3.50 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.31 4.00 0.00 3.13 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.13 4.28 0.00 2.10 1.94 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.71 7.81 37 K 7.86 4.00 0.00 1.69 1.73 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 38 I 7.41 3.77 1.82 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 1.41 0.65 0.77 0.00 0.00 *40 G 7.94 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 41 Y 7.93 4.64 0.00 2.97 2.91 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 42 E 8.84 4.13 0.00 1.79 1.69 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 2.41 2.38 0.00 43 D 8.60 4.52 0.00 2.65 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 44 H 7.63 4.93 0.00 3.28 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.23 4.27 0.00 2.29 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 2.41 2.18 0.00 46 L 7.53 4.66 0.00 1.52 1.39 0.33 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.43 0.00 2.01 1.98 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 48 D 8.88 4.37 0.00 2.77 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 49 E 8.03 4.81 0.00 1.97 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 2.43 0.00 50 I 7.99 4.24 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.45 0.81 0.00 0.00 51 T 7.75 4.64 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 1.26 0.00 0.00 *55 E 7.97 4.32 0.00 1.94 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 2.19 2.25 0.00 56 S 7.91 4.62 0.00 3.96 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.57 4.79 2.08 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.92 0.00 0.00 58 H 9.13 3.74 0.00 2.60 3.02 0.00 5.60 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 59 P 0.00 4.22 0.00 2.10 2.04 0.00 2.99 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 2.02 2.09 0.00 60 D 8.25 4.73 0.00 2.56 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.17 4.81 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.56 3.75 0.00 1.87 1.87 0.00 3.07 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 63 A 7.82 3.90 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 64 R 7.97 3.80 0.00 1.86 2.08 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 65 V 7.55 3.52 1.66 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 0.63 0.00 0.00 0.26 0.00 0.00 66 L 7.78 3.91 0.00 1.90 1.69 0.89 0.55 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 67 A 8.22 4.10 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 68 A 8.17 4.05 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 69 L 8.43 3.88 0.00 1.86 1.90 0.44 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.75 4.01 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.63 7.81 71 A 8.12 4.15 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 72 H 8.27 4.69 0.00 3.61 3.65 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.24 4.51 0.00 1.83 1.94 1.17 0.96 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 74 E 8.08 4.52 0.00 1.97 1.75 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 2.27 2.50 0.00 75 H 7.88 4.70 0.00 3.29 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.10 4.17 0.00 1.90 1.98 0.00 2.83 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.13 0.00 77 D 7.50 4.56 0.00 2.99 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 78 T 8.57 3.89 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 1.26 0.00 0.00 79 Y 8.56 4.51 0.00 2.96 2.96 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 80 D 7.96 4.55 0.00 2.62 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 81 V 8.57 4.55 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 0.25 0.00 0.00 0.80 0.00 0.00 82 E 8.72 5.44 0.00 1.97 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 2.28 2.32 0.00 83 Y 8.83 4.72 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 84 R 8.68 4.54 0.00 1.19 1.43 0.00 2.33 0.00 0.00 2.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 85 V 8.85 5.08 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 0.72 0.00 0.00 0.81 0.00 0.00 86 R 9.12 4.30 0.00 0.67 1.51 0.00 2.96 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.11 0.00 87 T 8.51 4.54 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 1.24 0.00 0.00 88 R 8.44 3.80 0.00 1.06 1.65 0.00 2.22 0.00 0.00 2.78 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.00 89 S 7.79 4.08 0.00 3.95 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 90 G 8.23 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 91 D 8.07 4.48 0.00 2.57 2.59 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 92 F 8.70 4.92 0.00 2.87 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 93 R 9.23 4.83 0.00 1.61 1.80 0.00 3.30 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 94 W 8.89 5.05 0.00 3.30 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.83 4.81 1.70 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.13 0.76 0.00 0.00 96 Q 8.64 4.89 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 97 S 9.15 5.26 0.00 3.93 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 98 R 7.49 5.40 0.00 1.07 0.66 0.00 3.26 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 99 G 8.67 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.66 4.59 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 101 A 8.89 4.22 0.51 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 0.00 102 L 8.04 4.26 0.00 0.38 0.67 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.60 5.18 0.00 3.41 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 0.00 104 N 9.06 4.98 0.00 3.01 3.09 0.00 0.00 6.97 7.78 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 0.00 105 S 8.60 4.22 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.23 4.32 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.82 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.62 4.47 0.00 2.16 1.96 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 2.35 2.40 0.00 109 P 0.00 4.54 0.00 1.89 1.80 0.00 3.79 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 110 Y 7.48 4.60 0.00 2.90 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 0.00 111 R 6.43 4.60 0.00 1.76 1.44 0.00 3.30 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 *113 V 8.02 3.88 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 0.71 0.00 0.00 0.77 0.00 0.00 114 G 6.78 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 0.00 115 W 8.17 6.06 0.00 3.38 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 0.00 116 I 9.06 6.24 1.87 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.61 1.07 0.00 0.00 *118 D 8.58 4.71 0.00 2.68 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 0.00 119 V 8.85 4.50 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 0.83 0.00 0.00 1.04 0.00 0.00 120 T 8.70 4.07 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 1.37 0.00 0.00 121 D 8.04 4.35 0.00 2.68 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 0.00 122 R 7.89 3.82 0.00 1.83 1.86 0.00 3.25 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 123 K 7.95 3.57 0.00 1.51 0.87 0.00 1.34 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 0.37 7.81 124 R 8.20 3.90 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 125 D 7.96 4.32 0.00 2.80 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 0.00 126 E 8.21 3.91 0.00 1.98 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 0.00 2.25 2.47 0.00 127 D 8.16 4.29 0.00 2.82 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 0.00 128 A 8.23 3.98 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 0.00 129 L 7.99 3.82 0.00 1.76 1.82 0.90 0.61 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 0.00 130 R 7.90 3.84 0.00 1.90 2.05 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 131 V 7.92 3.73 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 1.03 0.00 0.00 1.02 0.00 0.00 132 S 8.10 4.27 0.00 4.06 3.89 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 0.00 0.00 0.00 0.00 133 R 8.18 3.91 0.00 1.97 1.97 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 134 E 8.13 3.89 0.00 2.12 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 0.00 2.35 2.37 0.00 135 E 8.57 4.10 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 136 L 8.19 3.93 0.00 1.72 1.81 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.87 4.03 0.00 2.07 1.99 0.00 3.33 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 138 R 7.56 4.41 0.00 1.97 2.03 0.00 3.07 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 139 L 7.65 4.15 0.00 1.68 1.63 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.