NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8216 8.2227 120.4958 54.3607 43.3693 173.0480 6 F 5.6630 8.7126 120.6999 57.0629 43.2543 172.9542 7 Y 4.9487 8.6987 125.7974 55.9787 43.1683 172.9026 8 L 4.7379 7.7363 126.3995 53.2822 46.2607 174.9333 9 R 5.0249 8.8491 125.4498 55.0393 34.0417 172.8577 10 Y 5.1827 8.5272 126.6542 55.9156 42.3480 173.2611 11 Y 4.8335 8.2475 126.9867 55.6035 42.8114 174.2645 12 V 4.4750 7.4493 124.9906 59.3352 35.3360 174.8960 13 G 4.0274 7.7172 109.7485 45.8033 0.0000 170.3767 14 H 5.0681 8.6450 114.2075 55.2667 32.7691 177.3944 15 K 3.5969 8.4264 121.9920 57.5631 30.7312 177.3939 *18 F 4.7993 8.6431 121.5237 57.5340 40.2916 179.0638 19 G 4.1906 8.8818 120.1969 45.1584 0.0000 174.8513 20 H 4.8650 9.0361 128.4885 55.2107 29.3253 173.8167 21 E 4.9439 8.0234 125.6493 54.7162 32.0747 175.0433 22 F 4.5953 7.9445 116.0184 56.4644 42.0391 172.0680 23 L 4.8958 8.4864 121.1017 53.2445 45.3070 174.8503 24 E 5.6103 9.0256 125.9815 55.5431 33.6068 173.6711 25 F 6.0003 7.8576 120.4838 54.4863 42.4040 173.4201 26 E 5.0264 8.4986 119.3593 55.4573 33.3049 173.4914 27 F 4.9775 9.1418 126.8382 56.1142 40.3606 176.1004 28 R 4.7088 9.4989 124.5955 54.9092 31.0045 176.0620 29 P 4.5878 0.0000 0.0000 65.3434 31.2650 177.4184 30 D 4.5772 8.1573 113.3767 54.0406 39.7794 176.7582 31 G 4.0322 9.1998 109.5367 45.3873 0.0000 172.5894 32 K 4.1744 8.7033 122.5203 55.5413 33.2578 175.3589 33 L 4.7356 9.1356 131.0484 53.5580 43.9082 174.9705 34 R 4.9876 8.8237 126.3276 54.6653 32.6158 174.5750 35 Y 5.1484 9.1013 125.0954 55.6927 41.8146 174.0165 36 A 5.0358 8.6917 128.1273 50.0930 22.9141 174.1729 37 N 4.6585 9.2001 121.0546 51.9222 42.5032 172.9807 38 N 4.6524 7.6982 125.2571 51.3537 39.9609 174.8889 39 S 4.4917 8.4576 119.3069 57.5322 63.2176 174.1299 40 N 4.2117 8.6362 123.6805 54.9335 37.4644 174.1579 41 Y 4.6143 7.9024 122.0405 55.7852 39.3430 175.5893 42 K 4.1836 8.8809 127.4217 60.3742 32.4528 178.0265 43 N 4.2590 6.6045 114.7967 54.2808 38.6755 174.5179 44 D 4.8197 7.2402 118.3722 51.5759 40.9534 176.5554 45 T 3.7413 8.4496 118.5617 64.5383 68.9100 173.5986 46 M 4.2535 8.4093 124.8915 55.2567 32.4218 175.3444 47 I 4.2975 8.2255 127.6396 60.8424 39.2550 175.9900 48 R 5.0799 8.1732 124.1589 55.5186 33.6223 174.4538 49 K 4.4887 9.4426 123.6503 54.4747 36.4892 175.2934 50 E 5.2300 8.4263 120.2159 55.0178 33.3967 174.6999 51 A 4.6209 8.4767 122.8798 51.1520 23.3980 174.9172 52 F 4.9950 8.8273 118.9357 56.4913 40.2547 175.9812 53 V 4.4208 8.9509 117.6537 59.8207 33.3350 175.8777 54 H 4.3322 8.7886 123.0498 55.9353 30.7877 175.7834 55 Q 3.9946 8.3622 124.6162 59.5441 28.6790 179.1148 56 S 4.3526 8.3489 114.5606 61.2337 62.7870 176.7568 57 V 3.5303 7.9580 122.0473 66.3130 31.3235 177.7466 58 M 4.0863 8.1661 117.9316 58.6493 31.7437 178.5416 59 E 3.8427 8.3174 118.5760 59.1506 29.5527 178.9686 60 E 3.8176 8.0648 119.3141 59.1135 29.7997 178.3151 61 L 3.7636 8.0437 120.7842 58.2760 41.9625 178.9758 62 K 3.4047 7.9061 119.3643 59.2215 32.0232 178.7308 63 R 3.7841 8.1601 119.4596 59.4691 29.7713 178.6059 64 I 3.7182 7.8334 119.0511 64.2227 37.2693 178.3396 65 I 3.9003 7.6748 120.5387 64.4702 36.9053 178.4304 66 I 3.6942 7.8461 120.8137 64.5897 36.7465 178.0949 67 D 4.3549 7.9958 117.5682 56.9115 41.0629 177.8938 68 S 4.3249 7.7178 113.6666 58.8521 62.9942 174.4229 69 E 3.8872 8.0551 120.8783 57.2469 27.3731 176.3424 70 I 4.0694 7.7439 121.7988 64.2791 38.3083 177.9885 71 M 4.2029 8.3100 119.4128 57.8135 31.8528 176.5171 72 Q 4.6389 7.7458 114.7628 56.1632 29.2239 175.0188 73 E 4.7566 8.0522 118.2720 55.9022 32.1709 174.9445 74 D 3.9802 7.6662 118.1613 53.0758 44.1703 174.4899 75 D 2.0000 6.9732 124.5348 52.7839 40.1397 177.6069 76 L 3.7224 7.9032 122.8873 57.8828 41.9887 176.4305 77 P 4.4102 0.0000 0.0000 64.2392 31.7841 176.7916 78 W 4.5361 7.1589 117.0666 55.6556 29.5235 174.2139 79 P 4.3671 0.0000 0.0000 62.4215 31.3344 174.5802 80 P 4.6240 0.0000 0.0000 60.8052 32.8496 173.9131 81 P 4.3671 0.0000 0.0000 62.5664 31.6762 175.8421 82 D 5.0500 7.9460 122.5547 51.2394 41.8904 175.9183 83 R 4.0955 8.3826 117.7754 58.6367 30.2894 177.7099 84 V 3.7200 8.0580 116.7920 65.5651 31.9056 175.2999 85 G 4.1462 8.3737 104.9045 46.1521 0.0000 172.6236 86 R 5.0811 8.4004 119.1829 55.2441 34.0480 173.6472 87 Q 5.4317 9.3916 124.3732 54.6982 32.4403 174.0517 88 E 5.2680 9.3437 118.1192 54.9502 33.7385 173.6445 89 L 5.3908 9.1642 123.5898 53.5460 45.3471 174.6574 90 E 5.2205 9.5968 126.2018 54.6826 32.5661 175.2147 91 I 4.9644 8.9806 125.0522 59.4811 41.8513 174.3697 92 V 4.8763 8.8824 126.6180 61.2542 34.3098 174.3530 93 I 4.9968 8.7257 129.1221 59.4671 40.2393 177.5001 94 G 3.8633 9.0738 120.4740 46.8381 0.0000 175.3545 95 D 4.5390 9.1571 125.0571 54.5226 40.1941 176.2272 96 E 4.5031 8.0342 120.1746 55.5595 30.7263 174.5816 97 H 5.4472 8.6021 121.5728 54.7095 32.7875 172.1525 98 I 4.3698 9.1687 119.8702 59.2478 40.2475 174.7730 99 S 4.7563 8.3363 118.9598 56.6565 62.7544 172.8098 100 F 5.3847 9.1798 123.8016 57.0044 40.7670 174.5040 101 T 5.1657 9.0169 117.1501 62.5097 72.7631 173.1017 102 T 4.3884 8.1875 117.0452 62.4500 72.3512 171.6145 103 S 5.0678 8.6035 118.3886 56.8789 65.0978 173.9324 104 K 4.3982 8.5751 119.0232 56.9649 32.6897 178.0540 105 T 4.5109 8.5094 112.0591 60.0310 68.8837 173.4223 106 G 3.8658 8.4760 118.2591 46.9383 0.0000 171.5973 107 S 4.6604 7.6406 114.3418 55.5858 65.0366 174.4106 108 L 3.4465 8.3739 128.4102 57.7815 41.5228 179.2498 109 V 3.5470 7.5110 117.8617 66.0504 31.3633 177.4298 110 D 4.4247 7.8415 118.1485 56.7665 40.4709 178.9906 111 V 3.3452 7.2455 118.9986 66.0361 31.6437 176.8680 112 N 4.6149 7.9006 114.2752 54.4857 38.5525 175.0617 113 R 4.5288 7.5153 113.6419 56.2750 30.5398 175.1943 114 S 4.8022 7.4034 113.6511 55.8063 65.6200 173.3959 115 K 4.1350 8.3464 119.0735 57.3615 34.0991 175.9116 116 D 4.4049 8.6401 117.8069 55.3547 39.2634 173.1763 117 P 4.3028 0.0000 0.0000 65.2529 31.5436 178.4256 118 E 4.1297 8.2109 117.8186 59.0742 29.5687 179.1169 119 G 4.3052 8.0153 107.3203 46.9163 0.0000 175.7550 120 L 2.5962 7.8546 122.6719 57.2744 41.9679 178.9883 121 R 3.6588 8.0147 118.7451 58.9350 29.8997 178.1578 122 C 4.2281 7.6355 117.6637 62.3071 31.5408 175.1324 123 F 4.1322 7.9503 121.8005 61.4562 38.9365 176.1290 124 Y 4.0619 8.1647 119.1304 61.2442 38.4764 177.9271 125 Y 4.2444 7.8457 117.3551 60.8616 37.8829 178.3329 126 L 3.8739 8.0921 121.3414 58.1697 42.1973 179.1789 127 V 3.1232 7.5746 118.2897 65.9431 31.3350 178.0042 128 Q 3.8362 7.7521 117.7049 59.0294 28.3862 178.5188 129 D 4.2934 8.2033 120.0541 57.1533 40.7960 178.9384 130 L 3.8264 7.9570 119.9038 57.6242 41.6564 179.5378 131 K 3.3142 8.0940 118.8076 59.4810 31.8998 179.1701 132 C 4.2013 7.9359 116.8925 62.4755 27.9032 176.0220 133 L 3.8398 7.4566 122.0640 58.1043 41.6766 179.2131 134 V 3.4628 7.3704 118.0821 66.0734 31.3526 177.9548 135 F 4.5072 8.1255 117.8959 60.6568 38.6859 178.0110 136 S 4.1237 8.0132 114.3483 61.6480 62.7571 176.2603 137 L 3.9703 8.1902 121.9398 58.1906 41.3474 179.8430 138 I 3.9557 8.2429 119.7065 64.3483 37.1206 178.6162 139 G 3.7164 8.1158 106.7679 48.0767 0.0000 175.4584 140 L 4.1772 7.7898 119.7938 56.9084 41.8879 178.5577 141 H 4.2596 8.0616 117.7480 58.4598 29.8920 176.3462 142 F 4.5592 8.2190 117.5843 56.0284 40.6654 175.4035 143 K 4.5605 8.5800 116.8779 57.0432 29.8840 175.6995 144 I 4.0076 7.6800 109.8586 60.9067 38.4611 175.3239 145 K 4.5331 8.0662 120.2859 54.5915 35.9328 174.5916 146 P 4.6881 0.0000 0.0000 61.7645 33.1936 174.9232 147 I 4.4598 7.7144 117.7477 58.9676 40.4162 173.8162 148 P 4.5692 0.0000 0.0000 61.8054 32.8839 175.8989 149 R 4.3237 8.0263 117.5844 56.7226 30.2740 174.4165 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 5 D 8.22 4.82 0.00 2.72 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 6 F 8.71 5.66 0.00 3.07 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 7 Y 8.70 4.95 0.00 2.97 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 8 L 7.74 4.74 0.00 1.31 1.36 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.85 5.02 0.00 1.45 1.61 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 10 Y 8.53 5.18 0.00 2.84 1.43 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 11 Y 8.25 4.83 0.00 3.00 2.51 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 12 V 7.45 4.47 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 0.74 0.00 0.00 0.95 0.00 0.00 13 G 7.72 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 14 H 8.65 5.07 0.00 3.50 3.46 0.00 5.42 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.43 3.60 0.00 1.90 1.01 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.37 1.41 7.81 *18 F 8.64 4.80 0.00 3.16 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 19 G 8.88 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 20 H 9.04 4.87 0.00 3.12 3.41 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.02 4.94 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 2.22 2.23 0.00 22 F 7.94 4.60 0.00 2.76 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 23 L 8.49 4.90 0.00 1.69 1.49 1.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.03 5.61 0.00 2.31 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 2.20 2.32 0.00 25 F 7.86 6.00 0.00 3.05 3.21 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 26 E 8.50 5.03 0.00 2.07 1.84 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 2.43 2.54 0.00 27 F 9.14 4.98 0.00 2.96 2.99 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 0.00 0.00 0.00 28 R 9.50 4.71 0.00 2.20 1.94 0.00 3.16 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 29 P 0.00 4.59 0.00 2.10 2.23 0.00 3.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 30 D 8.16 4.58 0.00 2.94 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 31 G 9.20 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 32 K 8.70 4.17 0.00 2.15 1.64 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.37 1.29 7.81 33 L 9.14 4.74 0.00 1.48 1.54 -0.11 0.83 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 34 R 8.82 4.99 0.00 1.78 1.83 0.00 3.34 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 35 Y 9.10 5.15 0.00 3.05 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 36 A 8.69 5.04 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 37 N 9.20 4.66 0.00 2.39 2.56 0.00 0.00 6.72 6.73 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 38 N 7.70 4.65 0.00 1.95 2.72 0.00 0.00 6.24 7.09 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 39 S 8.46 4.49 0.00 3.82 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 40 N 8.64 4.21 0.00 2.79 2.91 0.00 0.00 6.00 7.55 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 41 Y 7.90 4.61 0.00 2.97 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 42 K 8.88 4.18 0.00 1.96 2.60 0.00 1.82 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 1.40 7.81 43 N 6.60 4.26 0.00 1.92 2.79 0.00 0.00 6.85 8.06 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 44 D 7.24 4.82 0.00 2.76 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 45 T 8.45 3.74 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 1.20 0.00 0.00 46 M 8.41 4.25 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 47 I 8.23 4.30 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.97 0.00 0.00 48 R 8.17 5.08 0.00 1.63 1.79 0.00 3.17 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 49 K 9.44 4.49 0.00 1.22 0.74 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.60 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.98 0.58 7.81 50 E 8.43 5.23 0.00 1.79 1.73 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 2.15 2.27 0.00 51 A 8.48 4.62 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 52 F 8.83 5.00 0.00 2.98 3.04 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 0.00 0.00 0.00 0.00 53 V 8.95 4.42 2.21 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 0.73 0.00 0.00 1.18 0.00 0.00 54 H 8.79 4.33 0.00 3.18 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.36 3.99 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 56 S 8.35 4.35 0.00 4.12 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 57 V 7.96 3.53 2.32 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 1.19 0.00 0.00 0.99 0.00 0.00 58 M 8.17 4.09 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.74 0.00 59 E 8.32 3.84 0.00 2.16 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 2.28 2.28 0.00 60 E 8.06 3.82 0.00 2.26 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 2.27 2.43 0.00 61 L 8.04 3.76 0.00 1.66 1.85 0.17 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.91 3.40 0.00 1.29 1.64 0.00 1.16 0.00 0.00 1.30 0.00 0.00 2.73 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.08 0.60 7.81 63 R 8.16 3.78 0.00 2.00 1.99 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 64 I 7.83 3.72 1.96 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 1.46 0.83 0.86 0.00 0.00 65 I 7.67 3.90 2.02 0.00 0.00 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 1.59 1.51 1.00 0.00 0.00 66 I 7.85 3.69 1.89 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 1.37 0.70 0.89 0.00 0.00 67 D 8.00 4.35 0.00 2.70 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 68 S 7.72 4.32 0.00 4.12 4.13 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 69 E 8.06 3.89 0.00 2.28 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 0.00 2.26 2.28 0.00 70 I 7.74 4.07 2.06 0.00 0.00 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 1.61 1.63 1.02 0.00 0.00 71 M 8.31 4.20 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 72 Q 7.75 4.64 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 73 E 8.05 4.76 0.00 2.62 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 2.69 2.73 0.00 74 D 7.67 3.98 0.00 2.41 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 0.00 0.00 0.00 0.00 75 D 6.97 2.00 0.00 2.45 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 0.00 0.00 0.00 0.00 76 L 7.90 3.72 0.00 1.53 1.56 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.41 0.00 2.15 2.08 0.00 3.21 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 78 W 7.16 4.54 0.00 3.30 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 79 P 0.00 4.37 0.00 2.19 1.99 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 80 P 0.00 4.62 0.00 2.18 2.05 0.00 3.78 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 1.96 1.98 0.00 81 P 0.00 4.37 0.00 2.09 2.08 0.00 3.64 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 2.05 2.29 0.00 82 D 7.95 5.05 0.00 2.73 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 83 R 8.38 4.10 0.00 1.81 2.02 0.00 3.45 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 84 V 8.06 3.72 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 0.79 0.00 0.00 0.93 0.00 0.00 85 G 8.37 4.15 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 0.00 0.00 0.00 86 R 8.40 5.08 0.00 1.97 1.89 0.00 3.07 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 87 Q 9.39 5.43 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 88 E 9.34 5.27 0.00 2.19 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 0.00 2.30 2.27 0.00 89 L 9.16 5.39 0.00 2.30 2.04 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.60 5.22 0.00 1.90 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 2.48 2.32 0.00 91 I 8.98 4.96 1.87 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 1.07 0.63 1.11 0.00 0.00 92 V 8.88 4.88 2.21 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 1.03 0.00 0.00 0.83 0.00 0.00 93 I 8.73 5.00 1.96 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 1.51 0.93 0.91 0.00 0.00 94 G 9.07 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 95 D 9.16 4.54 0.00 2.82 2.83 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 96 E 8.03 4.50 0.00 2.13 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 2.32 2.27 0.00 97 H 8.60 5.45 0.00 3.09 3.13 0.00 5.69 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 98 I 9.17 4.37 0.95 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.74 0.83 0.00 0.00 99 S 8.34 4.76 0.00 3.80 3.74 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 0.00 100 F 9.18 5.38 0.00 3.28 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 0.00 101 T 9.02 5.17 4.28 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 0.00 0.00 0.00 1.23 0.00 0.00 102 T 8.19 4.39 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 1.15 0.00 0.00 103 S 8.60 5.07 0.00 3.94 4.16 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 0.00 104 K 8.58 4.40 0.00 1.70 1.84 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.37 7.81 105 T 8.51 4.51 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 1.29 0.00 0.00 106 G 8.48 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 0.00 107 S 7.64 4.66 0.00 3.80 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 0.00 108 L 8.37 3.45 0.00 1.64 1.56 0.48 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.51 3.55 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 0.86 0.00 0.00 0.90 0.00 0.00 110 D 7.84 4.42 0.00 2.87 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 0.00 111 V 7.25 3.35 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 0.66 0.00 0.00 0.48 0.00 0.00 112 N 7.90 4.61 0.00 2.66 2.74 0.00 0.00 7.18 7.20 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 0.00 113 R 7.52 4.53 0.00 1.86 1.85 0.00 3.23 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 114 S 7.40 4.80 0.00 3.88 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 0.00 115 K 8.35 4.14 0.00 1.91 1.86 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 116 D 8.64 4.40 0.00 3.04 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 0.00 117 P 0.00 4.30 0.00 2.17 2.14 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.38 0.00 118 E 8.21 4.13 0.00 2.03 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 0.00 2.42 2.35 0.00 119 G 8.02 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 0.00 0.00 0.00 0.00 120 L 7.85 2.60 0.00 0.89 1.28 -0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.01 3.66 0.00 2.06 1.85 0.00 3.28 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 122 C 7.64 4.23 0.00 3.29 3.28 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 0.00 0.00 0.00 0.00 123 F 7.95 4.13 0.00 2.85 2.83 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 0.00 124 Y 8.16 4.06 0.00 2.98 2.83 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 0.00 125 Y 7.85 4.24 0.00 3.20 2.89 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 0.00 126 L 8.09 3.87 0.00 1.81 1.82 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.57 3.12 1.84 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 0.49 0.00 0.00 0.12 0.00 0.00 128 Q 7.75 3.84 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 129 D 8.20 4.29 0.00 2.80 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 0.00 130 L 7.96 3.83 0.00 1.68 1.64 0.92 0.78 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 0.00 131 K 8.09 3.31 0.00 1.64 1.15 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.49 7.81 132 C 7.94 4.20 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 0.00 133 L 7.46 3.84 0.00 1.70 1.62 0.76 0.84 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 0.00 134 V 7.37 3.46 1.43 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 1.06 0.00 0.00 0.14 0.00 0.00 135 F 8.13 4.51 0.00 3.05 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 0.00 136 S 8.01 4.12 0.00 4.10 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 0.00 137 L 8.19 3.97 0.00 1.81 1.74 1.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.24 3.96 1.63 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.61 0.56 0.00 0.00 139 G 8.12 3.72 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 0.00 0.00 0.00 140 L 7.79 4.18 0.00 1.86 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.06 4.26 0.00 3.09 3.05 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.22 4.56 0.00 3.11 2.99 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 0.00 0.00 0.00 143 K 8.58 4.56 0.00 1.90 1.92 0.00 1.60 0.00 0.00 2.41 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.37 7.81 144 I 7.68 4.01 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.85 0.00 0.00 145 K 8.07 4.53 0.00 1.71 1.69 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.61 7.81 146 P 0.00 4.69 0.00 2.15 2.08 0.00 3.73 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 1.97 2.21 0.00 147 I 7.71 4.46 1.67 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 1.35 0.66 0.30 0.00 0.00 148 P 0.00 4.57 0.00 2.18 2.01 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 149 R 8.03 4.32 0.00 1.66 1.77 0.00 3.31 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 1.65 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.