NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2832 8.1593 117.3737 63.5683 69.8451 173.7298 2 S 4.5442 8.2668 120.7917 55.5705 66.7687 173.3535 3 K 3.9560 9.2328 123.8096 59.8069 32.3220 179.6572 4 K 3.8063 8.1290 118.0305 59.7862 31.8042 178.8857 5 K 3.9758 7.7204 117.3248 59.0424 32.1099 177.9452 6 R 4.3316 7.8972 116.2174 56.6518 30.6975 177.9283 7 Q 4.1724 8.0987 119.5330 57.3012 28.3811 175.7975 8 R 3.9925 7.6312 118.6412 59.3221 30.0248 176.4074 9 G 4.0930 9.0328 111.4266 45.4225 0.0000 173.8116 10 S 4.2281 8.1128 113.2365 58.1955 63.4497 174.0627 11 R 4.0856 7.8479 124.3418 57.6692 29.3435 176.5891 12 T 4.1646 7.6067 105.0618 61.6381 70.1261 173.7217 13 H 4.3366 8.2482 118.4189 56.4897 26.5701 174.4986 14 G 4.0146 7.9522 99.6259 46.6302 0.0000 173.5529 15 G 3.9073 8.1706 106.7737 44.4504 0.0000 176.8074 16 G 3.8648 7.8947 106.7151 44.8437 0.0000 173.6889 17 S 4.0641 8.7302 116.1761 59.0442 62.5408 175.1731 18 H 4.3819 8.9306 121.8688 57.2624 28.2217 175.6998 19 K 4.1327 7.6916 119.1563 56.8302 31.6387 177.2696 20 N 4.4051 7.6689 117.1401 55.4141 39.4940 176.8918 21 R 4.4041 7.4682 119.0572 56.8014 28.7709 177.2177 22 R 4.5800 7.2194 122.5254 56.2407 30.7331 179.5190 23 G 4.1006 8.3935 120.2610 45.5811 0.0000 173.2347 24 A 4.2484 8.6729 120.4213 54.4170 18.2543 180.0539 25 G 3.5536 8.0574 104.4050 48.0246 0.0000 175.2377 26 H 4.4044 8.1867 119.3052 58.1889 29.9334 176.4730 27 R 4.4532 7.7835 117.1534 55.1501 30.5204 176.4618 28 G 3.8328 7.8408 107.0254 46.5484 0.0000 173.7939 29 G 4.1213 8.1041 106.3343 43.5671 0.0000 174.6318 30 R 3.9482 8.7367 121.1641 56.9950 31.5331 176.0934 31 G 3.7785 8.2980 114.0798 47.5124 0.0000 173.6067 32 D 4.6719 8.6721 124.5052 53.9551 40.5995 175.5221 33 A 4.0581 7.3645 122.6660 54.0857 18.7124 178.9605 34 G 3.7964 8.9683 108.9120 45.6167 0.0000 175.2363 35 R 4.0556 8.0027 115.6817 56.8985 29.1934 177.2077 36 D 5.0950 7.8773 115.8329 52.7797 40.9490 175.6528 37 K 4.4345 9.1882 118.3738 57.0690 32.3596 178.2981 38 H 4.5258 9.7826 125.7630 58.3555 29.7301 175.9092 39 E 4.6846 7.2998 120.2695 55.6599 30.4456 178.1336 40 F 4.8126 8.0685 115.3595 59.2703 38.5596 175.1965 41 H 3.6197 6.4493 116.9265 57.4182 28.7423 174.3364 42 N 4.2805 8.9159 120.6981 54.9265 35.7419 173.8872 43 H 4.9073 7.7892 111.9031 53.5897 32.4334 174.0207 44 E 4.1543 8.7542 123.3651 55.3302 29.9969 175.2601 45 P 4.4037 0.0000 0.0000 62.7736 31.7558 176.2145 46 L 4.0831 8.1306 119.5624 54.9663 42.1598 176.2076 47 G 4.3864 7.8549 106.5345 43.3154 0.0000 172.7030 48 K 4.5956 7.9841 119.6443 54.5822 34.1333 176.5953 49 S 4.3089 8.3115 116.6599 57.9068 64.9097 175.0505 50 G 4.0106 9.0927 118.2752 44.7456 0.0000 171.3077 51 F 5.0501 8.2705 112.1612 55.1490 41.1064 173.5155 52 K 4.3410 8.4178 119.0829 54.4862 35.1487 176.1633 53 R 4.6179 8.0711 120.7143 53.6313 31.8208 174.7126 54 P 4.2050 0.0000 0.0000 63.5040 31.5492 176.8405 55 Q 3.9001 9.0313 121.9315 59.0928 28.7605 178.7987 56 K 4.4808 7.9541 113.8529 56.9406 32.5770 177.0206 57 V 4.3186 8.1159 116.6969 62.9536 32.1665 174.8522 58 Q 4.5759 7.6818 117.8503 54.6841 30.1132 174.6819 59 E 4.4623 8.5867 121.7131 54.4898 31.5665 174.8369 60 E 4.4458 8.3919 124.1232 54.2733 31.5306 174.3033 61 A 4.0686 8.2450 129.2655 51.1332 19.9408 176.1934 62 A 4.4469 9.0590 125.3726 51.1039 20.0147 176.7836 63 T 5.4454 8.1111 112.0514 60.3149 71.8266 173.7581 64 I 4.3549 7.7521 119.1302 60.2719 41.4759 172.6889 65 D 5.1923 8.5476 128.3384 53.4128 42.4277 177.7732 66 V 3.5901 8.7550 116.3456 64.8935 31.6040 178.7721 67 R 3.8734 7.9342 117.9280 59.6255 29.4453 178.1566 68 E 3.8699 8.1431 118.0843 59.7392 30.0613 178.0888 69 I 3.6437 7.8797 119.1383 64.3877 36.8363 177.2141 70 D 4.3686 8.4714 118.1389 58.0224 40.9891 179.2241 71 E 4.1128 8.1141 116.7629 58.2099 28.0373 177.3083 72 N 5.0172 8.2283 116.9384 52.9021 40.0164 177.3303 73 V 3.3404 7.5659 113.7920 64.7247 31.7766 178.9387 74 T 3.7983 7.6464 107.9756 64.7126 68.4945 175.5279 75 L 4.0692 7.1321 120.2075 56.7166 42.0374 177.3831 76 L 4.4359 7.2615 119.5215 53.5799 41.6085 177.2513 77 A 4.1361 8.1033 123.6682 55.5800 18.7091 179.9863 78 A 4.6045 7.7804 117.4069 51.8703 18.0534 176.8920 79 D 4.7343 8.8487 119.8230 55.7427 45.6409 175.3630 80 D 4.2701 7.6144 121.4203 49.5708 41.5865 175.6125 81 V 4.5540 8.3801 122.2919 61.3532 34.1632 174.9122 82 A 4.2722 7.9680 131.2357 51.8956 20.7750 176.3392 83 E 3.7959 8.9406 109.7920 59.2445 30.1380 173.3731 *89 F 4.6044 7.7331 114.4582 58.0456 41.1304 173.9368 90 R 5.2424 8.6799 120.0429 54.7118 32.3439 174.9367 91 V 4.4941 8.7270 125.8364 59.8992 35.1593 174.5527 92 D 4.6960 8.7784 124.2310 53.0942 40.9610 176.3359 93 V 3.6084 8.4936 128.2834 66.3731 31.6052 178.2700 94 R 3.5207 7.6459 117.2551 59.5471 29.9041 177.8587 95 D 4.5809 8.0752 116.2662 55.3343 41.1615 178.3186 96 V 3.9265 8.2065 119.5732 63.9996 32.3250 176.5369 97 V 3.6394 7.2552 117.2026 62.9056 31.7466 175.3383 98 E 4.2281 8.5890 126.1302 56.9396 30.3102 176.6087 99 E 4.1594 8.7735 117.4452 57.4963 26.8157 175.5969 100 A 4.4456 7.5140 119.4362 52.9015 18.5566 178.4326 101 D 4.6908 7.6554 115.8610 56.7257 42.1516 178.3829 102 D 4.3732 8.0445 113.6109 53.8854 37.8598 175.4751 103 A 4.6949 7.6666 123.3393 50.7162 20.7974 178.1702 104 D 4.3121 8.7434 120.7730 55.5168 41.8222 175.8293 105 Y 4.7440 6.2841 117.6049 57.2222 41.8299 171.9439 106 V 4.8047 8.7668 121.2482 61.3382 33.6215 174.4254 107 K 4.8787 9.2032 129.1288 54.5705 35.1516 174.5147 108 V 4.6903 8.4376 126.8622 61.3767 33.5124 174.4405 109 L 4.6577 9.3451 128.0863 52.3168 44.6043 176.8999 110 G 4.0989 8.2454 109.9924 45.3903 0.0000 173.5532 111 A 4.6182 7.7383 121.3943 51.6369 21.7777 178.4669 112 G 3.9921 8.9532 109.0378 44.5136 0.0000 172.0504 113 Q 4.4615 8.1327 117.4611 54.2239 30.9375 175.4374 114 V 4.3685 7.9315 117.3038 61.9982 32.9007 174.4361 115 R 4.5739 8.8162 126.7965 55.9907 30.2560 175.9468 116 H 5.1644 7.7607 113.3031 54.2555 33.3169 172.7901 117 E 4.9356 8.8324 118.7466 55.2504 30.4482 175.6574 118 L 5.0922 8.6331 124.2093 53.0960 45.7458 175.8520 119 T 4.9974 9.3024 120.3237 62.1104 70.0984 172.6941 120 L 5.2889 8.6585 126.9678 53.0590 44.5122 175.8819 121 I 5.6234 8.7132 123.0875 58.9634 39.9519 174.5635 122 A 4.8953 8.7416 127.4250 50.4260 22.4600 176.0634 123 D 4.3871 8.6266 117.8177 57.2735 42.0656 176.4456 124 D 4.5834 7.1827 115.2850 53.3815 44.4672 174.1570 125 F 5.4644 9.0410 120.9420 54.8374 43.5829 173.9262 126 S 4.7407 8.5891 114.3823 56.9082 65.6874 174.4329 127 E 4.0060 9.2357 120.1666 60.0986 29.1698 179.7482 128 G 3.8936 8.2794 104.3034 48.1922 0.0000 175.0862 129 A 4.0699 7.7471 122.7719 55.1769 18.4150 179.7117 130 R 3.7743 8.2625 116.6273 59.0686 30.1090 178.7795 131 E 3.9178 8.4099 118.2074 59.7061 29.4904 180.0134 132 K 3.9326 8.0280 117.9062 59.6653 32.2461 179.6351 133 V 3.6171 7.8237 118.3463 65.9923 31.3719 177.9642 134 E 4.8072 8.1580 120.3453 58.7925 29.2083 179.3624 135 G 3.7602 8.3848 104.6478 46.7382 0.0000 173.5686 136 A 4.5532 7.8419 123.9557 51.9293 20.0280 176.8173 137 G 4.2097 8.1212 104.7549 48.0745 0.0000 172.8909 138 G 4.8991 7.5576 105.0403 43.7717 0.0000 171.0706 139 S 5.0973 8.9670 113.4062 56.2722 67.0038 173.3278 140 V 4.4420 8.1065 119.8930 61.2345 33.7034 174.2367 141 E 4.5586 9.4773 128.9835 54.6544 31.3800 175.0683 142 L 4.9832 8.4572 127.1973 54.6349 43.2858 176.5451 143 T 4.1796 8.8003 122.9943 63.4151 69.5942 175.3172 144 D 4.4433 8.7923 122.3021 57.5206 41.1686 179.0916 145 L 3.9208 8.0421 120.0459 57.9095 42.3620 178.1714 146 G 3.8292 7.9442 107.1623 47.3100 0.0000 174.7239 147 E 4.5031 7.9963 120.1379 56.9091 28.9597 176.9087 148 E 4.7624 8.5231 115.8360 56.6350 30.3361 178.0471 149 R 4.5459 7.4134 116.1157 52.2820 30.4482 176.1998 150 Q 4.2955 7.8350 121.4421 56.8351 29.2663 173.1239 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 1 T 8.16 4.28 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 1.20 0.00 0.00 2 S 8.27 4.54 0.00 4.09 3.85 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 3 K 9.23 3.96 0.00 1.83 1.85 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.13 3.81 0.00 1.83 1.88 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.72 3.98 0.00 1.75 2.04 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.90 4.33 0.00 1.90 1.92 0.00 3.21 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 7 Q 8.10 4.17 0.00 1.87 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 8 R 7.63 3.99 0.00 1.79 1.92 0.00 3.35 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 9 G 9.03 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 0.00 0.00 0.00 10 S 8.11 4.23 0.00 3.98 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 11 R 7.85 4.09 0.00 1.97 2.06 0.00 3.21 0.00 0.00 3.27 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 12 T 7.61 4.16 4.33 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 1.32 0.00 0.00 13 H 8.25 4.34 0.00 3.21 3.35 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.95 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.17 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 16 G 7.89 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 17 S 8.73 4.06 0.00 3.87 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 18 H 8.93 4.38 0.00 3.30 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.69 4.13 0.00 1.73 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.29 7.81 20 N 7.67 4.41 0.00 2.68 2.54 0.00 0.00 6.93 7.74 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 21 R 7.47 4.40 0.00 1.77 1.91 0.00 3.18 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 22 R 7.22 4.58 0.00 1.74 1.06 0.00 3.29 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 23 G 8.39 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.67 4.25 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 25 G 8.06 3.55 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 0.00 0.00 0.00 26 H 8.19 4.40 0.00 3.18 3.49 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.78 4.45 0.00 1.93 1.93 0.00 3.33 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 28 G 7.84 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 29 G 8.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.74 3.95 0.00 1.91 1.83 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.30 3.78 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 0.00 0.00 0.00 32 D 8.67 4.67 0.00 2.74 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 33 A 7.36 4.06 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 34 G 8.97 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 35 R 8.00 4.06 0.00 1.69 1.98 0.00 3.01 0.00 0.00 3.27 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 36 D 7.88 5.10 0.00 2.74 2.75 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 0.00 0.00 0.00 37 K 9.19 4.43 0.00 1.79 1.48 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.52 7.81 38 H 9.78 4.53 0.00 3.30 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.30 4.68 0.00 1.93 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 2.17 1.94 0.00 40 F 8.07 4.81 0.00 3.19 3.26 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 41 H 6.45 3.62 0.00 2.92 3.10 0.00 5.84 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 42 N 8.92 4.28 0.00 2.84 2.88 0.00 0.00 6.86 8.16 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 43 H 7.79 4.91 0.00 3.35 3.19 0.00 5.86 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 44 E 8.75 4.15 0.00 1.98 1.90 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 2.33 2.31 0.00 45 P 0.00 4.40 0.00 2.18 2.08 0.00 3.79 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 2.01 2.02 0.00 46 L 8.13 4.08 0.00 1.65 1.64 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.85 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 0.00 0.00 0.00 0.00 48 K 7.98 4.60 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.40 7.81 49 S 8.31 4.31 0.00 3.78 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 50 G 9.09 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.27 5.05 0.00 3.11 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 52 K 8.42 4.34 0.00 1.70 1.64 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 R 8.07 4.62 0.00 1.77 1.89 0.00 3.36 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 54 P 0.00 4.20 0.00 2.22 2.25 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 55 Q 9.03 3.90 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.14 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 56 K 7.95 4.48 0.00 1.86 1.89 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 57 V 8.12 4.32 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 0.85 0.00 0.00 0.98 0.00 0.00 58 Q 7.68 4.58 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.38 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 59 E 8.59 4.46 0.00 1.93 1.77 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 2.51 2.28 0.00 60 E 8.39 4.45 0.00 1.94 1.70 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 2.16 2.19 0.00 61 A 8.25 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.06 4.45 1.23 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 63 T 8.11 5.45 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 1.20 0.00 0.00 64 I 7.75 4.35 1.85 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 1.34 1.19 0.94 0.00 0.00 65 D 8.55 5.19 0.00 2.64 2.75 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 0.00 0.00 0.00 66 V 8.75 3.59 2.11 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 0.92 0.00 0.00 1.00 0.00 0.00 67 R 7.93 3.87 0.00 1.96 2.05 0.00 3.08 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 68 E 8.14 3.87 0.00 2.00 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 2.31 2.33 0.00 69 I 7.88 3.64 1.99 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 1.52 0.39 0.90 0.00 0.00 70 D 8.47 4.37 0.00 2.87 2.70 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 71 E 8.11 4.11 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 2.34 2.69 0.00 72 N 8.23 5.02 0.00 2.61 2.71 0.00 0.00 6.84 7.54 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 73 V 7.57 3.34 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 0.00 0.00 0.57 0.00 0.00 0.25 0.00 0.00 74 T 7.65 3.80 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 1.16 0.00 0.00 75 L 7.13 4.07 0.00 1.68 1.76 0.96 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 76 L 7.26 4.44 0.00 1.79 1.65 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.10 4.14 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 78 A 7.78 4.60 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 79 D 8.85 4.73 0.00 2.74 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 80 D 7.61 4.27 0.00 3.04 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 81 V 8.38 4.55 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 0.38 0.00 0.00 1.03 0.00 0.00 82 A 7.97 4.27 1.15 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 83 E 8.94 3.80 0.00 2.00 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 2.24 1.94 0.00 *89 F 7.73 4.60 0.00 2.98 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 90 R 8.68 5.24 0.00 1.84 1.82 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.73 4.49 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 0.71 0.00 0.00 0.95 0.00 0.00 92 D 8.78 4.70 0.00 2.73 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 93 V 8.49 3.61 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 0.86 0.00 0.00 0.97 0.00 0.00 94 R 7.65 3.52 0.00 2.00 2.03 0.00 3.22 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 95 D 8.08 4.58 0.00 2.78 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 96 V 8.21 3.93 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 0.80 0.00 0.00 0.94 0.00 0.00 97 V 7.26 3.64 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.59 4.23 0.00 2.06 1.83 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 2.37 2.31 0.00 99 E 8.77 4.16 0.00 2.17 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 2.26 2.27 0.00 100 A 7.51 4.45 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 0.00 101 D 7.66 4.69 0.00 2.74 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 0.00 102 D 8.04 4.37 0.00 2.76 2.75 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 0.00 0.00 0.00 103 A 7.67 4.69 1.28 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 0.00 0.00 104 D 8.74 4.31 0.00 2.50 2.43 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 0.00 105 Y 6.28 4.74 0.00 3.23 3.05 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 0.00 106 V 8.77 4.80 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 0.90 0.00 0.00 0.94 0.00 0.00 107 K 9.20 4.88 0.00 2.02 1.67 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.52 7.81 108 V 8.44 4.69 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 1.03 0.00 0.00 0.73 0.00 0.00 109 L 9.35 4.66 0.00 1.76 1.54 0.92 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.25 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.74 4.62 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 0.00 112 G 8.95 3.99 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 0.00 0.00 0.00 113 Q 8.13 4.46 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.93 4.37 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 1.01 0.00 0.00 0.95 0.00 0.00 115 R 8.82 4.57 0.00 1.61 1.78 0.00 3.15 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.76 5.16 0.00 3.02 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.83 4.94 0.00 2.00 2.35 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 2.31 2.28 0.00 118 L 8.63 5.09 0.00 1.64 1.63 0.95 0.73 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 0.00 119 T 9.30 5.00 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 1.23 0.00 0.00 120 L 8.66 5.29 0.00 1.83 1.84 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.71 5.62 1.94 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 1.17 0.59 1.02 0.00 0.00 122 A 8.74 4.90 0.55 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 0.00 0.00 123 D 8.63 4.39 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.18 4.58 0.00 2.44 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 0.00 0.00 0.00 125 F 9.04 5.46 0.00 2.84 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 0.00 126 S 8.59 4.74 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 0.00 127 E 9.24 4.01 0.00 2.05 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 2.42 2.43 0.00 128 G 8.28 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 0.00 129 A 7.75 4.07 1.51 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 0.00 130 R 8.26 3.77 0.00 2.00 1.90 0.00 3.16 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.61 0.00 131 E 8.41 3.92 0.00 2.01 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 2.34 2.51 0.00 132 K 8.03 3.93 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.68 7.81 133 V 7.82 3.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.05 0.00 0.00 134 E 8.16 4.81 0.00 2.00 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 2.39 2.31 0.00 135 G 8.38 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.84 4.55 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 0.00 0.00 137 G 8.12 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 0.00 0.00 0.00 138 G 7.56 4.90 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 0.00 0.00 0.00 139 S 8.97 5.10 0.00 3.81 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 0.00 140 V 8.11 4.44 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 -0.94 0.00 0.00 0.49 0.00 0.00 141 E 9.48 4.56 0.00 2.06 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 2.21 0.00 142 L 8.46 4.98 0.00 1.67 1.60 1.29 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.80 4.18 4.35 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 1.26 0.00 0.00 144 D 8.79 4.44 0.00 2.71 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 0.00 145 L 8.04 3.92 0.00 1.61 1.84 1.02 1.01 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 0.00 146 G 7.94 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 0.00 147 E 8.00 4.50 0.00 2.08 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 2.35 2.46 0.00 148 E 8.52 4.76 0.00 1.81 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 2.22 2.53 0.00 149 R 7.41 4.55 0.00 1.74 1.83 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 150 Q 7.83 4.30 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.