NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7729 8.4093 118.2225 52.2749 39.4357 173.8236 4 T 4.6380 7.6663 108.9595 57.9893 71.5300 172.7826 5 T 4.4514 9.0465 115.7193 60.8352 72.6138 176.6469 6 Y 3.9857 8.5013 121.7742 60.8776 38.7261 178.3102 7 V 3.6156 7.9582 118.5827 66.1500 31.7437 177.8367 8 Q 4.0526 8.0431 117.5101 59.1097 28.5211 178.7551 9 E 4.0417 8.2105 119.5948 59.3100 29.4305 178.3763 10 Y 3.5289 7.8158 120.0168 61.2621 38.6950 178.4056 11 H 4.2593 8.4275 116.4604 58.4740 28.5988 177.8081 12 A 3.9796 7.8340 122.7908 55.2051 18.2276 179.7145 13 I 3.2985 7.5997 118.7386 64.3514 37.0590 178.7770 14 V 3.3191 7.5768 119.4145 65.8323 30.9945 177.6310 15 E 3.9250 7.7944 118.2653 59.0857 29.5455 178.8474 16 V 3.6518 7.4506 118.1967 66.1414 31.7115 178.1832 17 L 3.7292 8.0427 118.9965 57.3946 41.3076 179.3064 18 S 4.0688 8.4440 113.8213 61.4824 62.1614 176.4384 19 K 4.0120 7.7688 120.9580 59.4712 31.7558 178.6646 20 Y 4.1948 7.9339 119.2472 60.8764 38.8425 177.6885 21 N 4.1487 8.3144 117.3541 56.2979 38.6217 177.0979 22 E 4.0147 8.7529 121.1579 59.1840 29.7230 178.9779 23 G 3.6945 8.4042 106.2648 47.7501 0.0000 175.9489 24 G 3.5083 7.9381 108.0856 47.4249 0.0000 175.8595 25 K 4.0737 8.1321 122.2727 58.7457 32.0499 178.1867 26 K 4.2018 8.2159 115.7175 55.2726 33.3123 176.2191 27 A 3.7415 7.6394 121.6784 52.8813 16.6135 178.4459 28 D 4.5226 8.5666 121.0911 52.3584 43.2570 175.7545 29 S 4.0670 9.0738 123.1126 61.2116 63.2169 176.0788 30 T 3.8035 7.7864 117.5944 66.7377 68.1864 175.2127 31 I 3.9212 7.2865 118.2927 62.1734 36.9948 176.5782 *33 R 4.1941 8.0280 122.7733 55.8889 31.2713 175.8551 34 P 4.3678 0.0000 0.0000 65.1274 31.5705 177.2644 35 A 4.1234 8.1845 119.5708 53.6583 19.3868 176.9517 36 F 5.2600 8.1669 114.1727 55.3616 41.2770 176.1222 37 S 4.4056 9.0159 118.3365 58.5654 62.8194 175.5607 38 S 4.2604 8.9954 119.9082 60.9822 62.8409 174.9414 39 Q 4.3822 7.8366 117.8167 55.4218 29.2261 175.5691 40 A 5.0962 8.1384 121.6886 51.8996 19.6396 177.0522 41 T 4.8911 8.4975 109.8241 59.7399 72.8190 172.5191 42 I 5.4452 7.9729 122.2507 58.2806 41.2624 174.1387 43 F 5.4808 8.7283 126.3896 56.2150 43.7573 173.9628 44 G 3.5392 9.1425 108.1802 44.9674 0.0000 170.7201 45 V 4.9536 8.0072 118.9421 61.0423 33.9097 175.8848 46 D 4.8418 8.8993 127.7897 51.8613 41.1411 177.4593 47 V 3.6102 8.2868 117.7569 64.6663 31.3174 176.4416 48 D 4.6709 8.2363 118.6901 53.8401 40.5428 175.7856 49 N 4.2719 8.2046 114.7708 54.1256 36.7527 174.0184 50 K 4.5659 8.3849 117.6243 54.0033 34.1334 175.9568 51 L 4.3658 8.3288 124.1501 55.8164 42.6290 176.3340 52 T 4.7463 9.5356 119.3318 60.3997 71.2096 171.7302 53 G 3.7654 9.4541 115.2396 45.1565 0.0000 170.0672 54 G 3.6525 6.9313 113.3187 43.0467 0.0000 172.0900 55 P 4.3423 0.0000 0.0000 62.5190 31.7010 177.4159 56 I 3.1021 7.8790 120.1125 63.7514 37.6001 177.8531 57 Q 3.7113 7.8348 120.3473 59.1744 28.6934 178.4534 58 G 3.5551 7.8939 106.5303 47.6960 0.0000 175.3434 59 L 3.6617 7.2880 122.2681 57.9932 42.1090 179.1276 60 F 4.3875 7.3936 117.1529 60.6583 38.7681 177.2626 61 D 4.3305 8.2595 118.7217 57.3727 40.6050 178.9875 62 V 3.5268 7.5074 118.2616 65.8354 31.1376 178.2347 63 I 3.2229 7.6272 119.6534 64.3384 36.7185 178.1509 64 D 4.3881 7.8741 118.4439 56.5181 40.9048 177.6609 65 N 4.8178 8.2149 114.2141 53.0115 39.6080 175.4713 66 V 4.2884 7.6122 118.3281 64.2187 33.5169 176.1189 67 F 4.6283 7.6809 116.4346 57.6243 39.4830 174.1831 68 H 5.1582 8.2776 118.9964 53.0022 32.5214 171.9182 69 P 4.4378 0.0000 0.0000 63.7286 31.9729 176.8353 70 S 4.6817 9.2088 121.4228 55.5381 63.2534 172.8610 71 P 4.2409 0.0000 0.0000 65.4143 31.2529 177.8567 72 E 4.2524 8.0448 115.1559 56.2437 29.8451 176.1816 73 A 4.5680 7.6348 122.0587 51.6528 19.1898 177.5156 74 K 4.6649 8.9386 120.1896 54.5689 36.0704 175.3146 75 A 5.3420 8.8623 125.8130 50.0487 22.1292 175.2571 76 A 4.5672 9.0836 122.0805 50.2517 22.1434 175.8246 77 I 4.5506 8.6278 124.1017 60.5700 35.9594 175.6409 78 A 4.2536 8.8285 129.9886 54.7014 19.1875 177.7589 79 R 4.7041 7.7604 113.5848 55.3905 33.8770 174.1602 80 I 5.0232 8.5235 125.6543 59.8422 40.3817 174.2442 81 D 5.0002 9.1870 128.2793 53.0545 42.6524 175.8542 82 I 4.8854 8.5895 123.4307 59.5432 40.6568 175.3065 83 V 4.3116 8.8773 126.7865 61.5175 34.0762 176.6342 84 G 3.9111 8.5235 119.8761 47.2958 0.0000 173.5904 85 T 4.0126 8.7731 116.3393 61.3242 69.3482 173.3284 86 A 5.5908 8.3069 124.4480 50.6723 22.3848 175.2400 87 A 5.0769 9.2705 120.9730 50.7137 23.3077 175.1506 88 S 5.3391 9.1317 114.1115 56.5403 65.8721 172.8765 89 A 5.2917 9.1932 126.4003 50.2776 23.0953 174.6837 90 R 5.1570 9.0395 120.5746 54.5956 33.3076 174.5573 91 I 5.1998 8.9386 126.4869 59.7291 40.9701 173.9313 92 D 5.5381 9.0289 126.6996 53.0364 43.5256 175.6608 93 T 5.2224 9.0215 118.5287 62.1055 73.0092 172.6095 94 D 5.0252 9.1742 125.8450 52.9178 43.6164 176.1289 95 D 4.4772 8.3500 119.1286 55.6493 38.4868 174.0647 96 I 4.1820 7.8229 119.5035 59.9774 38.9026 175.3518 97 S 3.5618 9.9008 127.5073 59.5724 60.7332 173.6957 98 G 3.6092 8.1421 105.3860 45.3098 0.0000 173.3383 99 F 4.7633 7.9079 118.5201 55.3130 42.3860 174.3808 100 R 5.0684 8.1916 121.1103 54.6395 32.6620 174.4124 101 F 5.7404 9.2432 124.1622 56.1034 43.4346 173.9280 102 T 5.1265 8.9858 117.7229 61.9744 71.3461 172.9523 103 D 5.3924 9.2699 125.6956 52.4268 44.5054 174.9221 104 F 5.5071 9.0411 121.1419 55.7552 42.3513 174.2611 105 F 5.2701 9.7672 121.8167 55.7738 42.5118 173.7302 106 N 5.4182 9.1732 120.5806 51.7922 40.5601 174.0727 107 L 5.4393 9.3060 123.3238 52.9803 45.9618 175.5330 108 L 5.2873 8.9210 120.6979 53.0285 45.9666 176.1178 109 K 3.7961 8.3986 124.8365 54.9452 31.6822 175.1706 110 V 4.0213 8.4135 127.2612 61.7598 32.8013 175.8893 111 E 3.6949 9.7821 128.4563 57.5196 26.8755 175.8523 112 G 3.8851 8.2710 104.4881 45.1200 0.0000 173.4941 113 K 4.6093 7.7354 119.2925 53.9244 35.8350 175.8448 114 W 4.6755 8.8200 124.5825 57.1276 29.9738 175.5386 115 T 4.8233 9.0637 117.8925 60.2949 71.0617 172.7468 116 V 4.3792 8.6851 128.3503 63.0791 32.3320 176.6152 117 V 4.4231 9.0613 120.1445 61.7051 34.4367 175.5252 118 S 5.1724 7.9704 114.8745 56.6984 66.0945 172.4506 119 K 4.8378 9.2964 128.3097 54.4255 35.1063 174.7224 120 I 5.7930 8.7846 119.7464 58.5725 41.1659 173.6635 121 Y 5.3551 7.8347 119.4061 56.0200 41.2644 173.3172 122 H 4.9778 9.5636 120.7311 54.7975 33.0824 172.4335 123 T 4.9846 8.4791 122.1640 62.6842 69.3133 174.3741 124 H 4.5929 8.8844 124.9418 54.3866 29.8269 174.1197 125 P 4.4137 0.0000 0.0000 63.2055 31.1064 176.1577 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 N 8.41 4.77 0.00 2.86 3.03 0.00 0.00 5.84 6.83 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 4 T 7.67 4.64 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 1.24 0.00 0.00 5 T 9.05 4.45 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 1.26 0.00 0.00 6 Y 8.50 3.99 0.00 3.09 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 7 V 7.96 3.62 2.16 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 1.12 0.00 0.00 1.02 0.00 0.00 8 Q 8.04 4.05 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 9 E 8.21 4.04 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 10 Y 7.82 3.53 0.00 2.10 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 11 H 8.43 4.26 0.00 3.25 3.33 0.00 5.67 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 12 A 7.83 3.98 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 0.00 0.00 13 I 7.60 3.30 1.33 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.36 0.44 0.00 0.00 14 V 7.58 3.32 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 0.82 0.00 0.00 0.22 0.00 0.00 15 E 7.79 3.92 0.00 2.09 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 2.31 2.30 0.00 16 V 7.45 3.65 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 0.83 0.00 0.00 1.07 0.00 0.00 17 L 8.04 3.73 0.00 1.46 1.44 0.56 -0.18 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 18 S 8.44 4.07 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.77 4.01 0.00 1.99 2.06 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.59 7.81 20 Y 7.93 4.19 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.31 4.15 0.00 2.94 2.85 0.00 0.00 6.74 7.27 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 22 E 8.75 4.01 0.00 2.07 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 2.29 2.31 0.00 23 G 8.40 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 0.00 0.00 0.00 24 G 7.94 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 25 K 8.13 4.07 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.68 7.81 26 K 8.22 4.20 0.00 1.83 1.83 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.59 7.81 27 A 7.64 3.74 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.57 4.52 0.00 2.58 2.47 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 29 S 9.07 4.07 0.00 3.60 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 30 T 7.79 3.80 4.43 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 1.16 0.00 0.00 31 I 7.29 3.92 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.43 0.96 0.00 0.00 *33 R 8.03 4.19 0.00 1.29 1.74 0.00 3.07 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 34 P 0.00 4.37 0.00 2.09 2.12 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 35 A 8.18 4.12 1.01 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 36 F 8.17 5.26 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 37 S 9.02 4.41 0.00 3.97 3.93 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 38 S 9.00 4.26 0.00 4.05 4.04 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 39 Q 7.84 4.38 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 40 A 8.14 5.10 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 41 T 8.50 4.89 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 1.24 0.00 0.00 42 I 7.97 5.45 1.61 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.64 0.00 0.00 43 F 8.73 5.48 0.00 2.92 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 44 G 9.14 3.54 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 0.00 0.00 0.00 45 V 8.01 4.95 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 0.87 0.00 0.00 46 D 8.90 4.84 0.00 2.97 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 47 V 8.29 3.61 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 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.24 4.67 0.00 2.84 2.73 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 0.00 0.00 0.00 49 N 8.20 4.27 0.00 2.87 2.90 0.00 0.00 6.78 8.42 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 50 K 8.38 4.57 0.00 2.12 1.70 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.55 7.81 51 L 8.33 4.37 0.00 1.49 1.54 0.71 0.41 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 52 T 9.54 4.75 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 1.35 0.00 0.00 53 G 9.45 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 54 G 6.93 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 55 P 0.00 4.34 0.00 2.08 2.10 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 1.94 1.88 0.00 56 I 7.88 3.10 1.70 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.51 0.00 0.00 57 Q 7.83 3.71 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 58 G 7.89 3.56 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 0.00 59 L 7.29 3.66 0.00 1.39 1.27 0.68 0.82 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 60 F 7.39 4.39 0.00 3.11 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 61 D 8.26 4.33 0.00 2.81 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 62 V 7.51 3.53 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 0.73 0.00 0.00 0.87 0.00 0.00 63 I 7.63 3.22 1.92 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.83 0.00 0.00 64 D 7.87 4.39 0.00 2.72 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 65 N 8.21 4.82 0.00 2.77 2.86 0.00 0.00 6.78 7.19 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 66 V 7.61 4.29 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 1.08 0.00 0.00 1.00 0.00 0.00 67 F 7.68 4.63 0.00 3.03 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 68 H 8.28 5.16 0.00 3.03 3.17 0.00 5.67 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 69 P 0.00 4.44 0.00 1.96 2.03 0.00 3.69 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 2.07 2.33 0.00 70 S 9.21 4.68 0.00 3.73 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 71 P 0.00 4.24 0.00 2.17 2.19 0.00 3.77 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 1.98 1.99 0.00 72 E 8.04 4.25 0.00 1.96 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 2.28 2.29 0.00 73 A 7.63 4.57 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 74 K 8.94 4.66 0.00 1.69 1.68 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 75 A 8.86 5.34 1.25 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 0.00 0.00 0.00 76 A 9.08 4.57 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 77 I 8.63 4.55 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.84 0.00 0.00 78 A 8.83 4.25 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 79 R 7.76 4.70 0.00 1.95 1.83 0.00 3.42 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 80 I 8.52 5.02 2.01 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.70 0.00 0.00 81 D 9.19 5.00 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.59 4.89 2.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.64 0.97 0.00 0.00 83 V 8.88 4.31 2.16 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 1.04 0.00 0.00 1.00 0.00 0.00 84 G 8.52 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 85 T 8.77 4.01 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 1.12 0.00 0.00 86 A 8.31 5.59 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 87 A 9.27 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.13 5.34 0.00 3.92 3.73 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 0.00 0.00 0.00 89 A 9.19 5.29 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 90 R 9.04 5.16 0.00 2.11 1.87 0.00 3.20 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.14 0.00 91 I 8.94 5.20 2.19 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 1.19 0.00 0.00 92 D 9.03 5.54 0.00 2.71 2.60 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 93 T 9.02 5.22 4.52 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 1.34 0.00 0.00 94 D 9.17 5.03 0.00 2.59 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 95 D 8.35 4.48 0.00 2.84 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 96 I 7.82 4.18 2.00 0.00 0.00 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 1.57 1.85 1.27 0.00 0.00 97 S 9.90 3.56 0.00 2.92 3.50 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 98 G 8.14 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.91 4.76 0.00 2.75 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 0.00 100 R 8.19 5.07 0.00 1.79 1.69 0.00 2.90 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 101 F 9.24 5.74 0.00 3.11 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 0.00 102 T 8.99 5.13 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 0.83 0.00 0.00 103 D 9.27 5.39 0.00 2.76 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.04 5.51 0.00 2.86 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 0.00 105 F 9.77 5.27 0.00 2.88 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 0.00 106 N 9.17 5.42 0.00 2.71 2.80 0.00 0.00 6.56 6.66 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 0.00 107 L 9.31 5.44 0.00 1.66 1.85 0.83 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.92 5.29 0.00 1.59 1.48 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.40 3.80 0.00 0.79 0.95 0.00 1.13 0.00 0.00 1.20 0.00 0.00 2.54 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.75 0.21 7.81 110 V 8.41 4.02 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 0.97 0.00 0.00 0.88 0.00 0.00 111 E 9.78 3.69 0.00 2.05 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 0.00 2.18 2.24 0.00 112 G 8.27 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 0.00 113 K 7.74 4.61 0.00 1.62 1.66 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.33 7.81 114 W 8.82 4.68 0.00 3.12 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 0.00 115 T 9.06 4.82 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 1.31 0.00 0.00 116 V 8.69 4.38 1.71 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 1.20 0.00 0.00 0.59 0.00 0.00 117 V 9.06 4.42 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 0.76 0.00 0.00 1.05 0.00 0.00 118 S 7.97 5.17 0.00 3.92 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 0.00 119 K 9.30 4.84 0.00 1.62 1.51 0.00 1.36 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.98 0.21 7.81 120 I 8.78 5.79 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.51 0.96 0.00 0.00 121 Y 7.83 5.36 0.00 2.97 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 0.00 122 H 9.56 4.98 0.00 3.26 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.48 4.98 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 1.24 0.00 0.00 124 H 8.88 4.59 0.00 3.13 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.41 0.00 2.19 2.07 0.00 3.89 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 2.03 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.