NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2762 8.3444 119.1374 54.4957 29.7829 174.4273 3 C 2.4500 8.3397 124.0041 56.5886 31.9363 171.3337 4 P 4.2720 0.0000 0.0000 62.7355 33.7804 176.8026 5 I 3.6632 8.4384 124.3583 65.3242 37.0731 179.2459 6 E 3.9901 8.0957 118.5304 61.2314 29.5491 180.8992 7 D 4.6811 7.9918 119.1514 57.0040 41.0624 178.5563 8 R 3.6326 7.9404 119.3532 59.4772 30.0370 178.6444 9 L 3.8236 7.9723 118.5003 57.6123 41.5835 179.3505 10 A 4.0118 7.9512 120.7960 55.1216 18.0683 179.8608 11 I 3.5002 7.3286 117.5029 64.3361 37.2597 177.8376 12 Q 3.5254 7.4753 119.1577 59.2833 28.8897 178.0672 13 D 4.4184 8.1687 120.0902 56.9987 40.7395 178.8038 14 L 4.0611 7.6882 116.9508 56.2915 41.8495 178.4140 *16 I 4.0885 7.7544 119.9317 60.9205 39.3915 177.7679 17 A 3.9985 8.3908 122.3814 55.2122 18.0348 178.8961 18 Y 4.0903 8.2662 117.8080 60.9657 38.8637 178.3168 19 A 3.8414 8.0924 121.0421 55.3637 18.3076 178.8446 20 H 4.0046 8.2048 115.5135 59.2711 30.0935 177.0982 21 A 4.0346 7.9882 122.4758 55.1775 18.2552 179.6050 22 V 3.6989 7.6162 116.9560 66.3866 31.3605 177.4005 23 D 4.7353 7.9642 115.8911 55.7554 40.1058 178.1395 24 T 3.8368 7.7098 111.3068 62.2993 68.5274 174.9669 25 V 2.8144 7.2043 119.8536 62.7146 30.6504 172.2514 26 S 4.3439 6.1603 112.0057 57.5935 70.0691 175.0428 27 D 4.6438 7.9519 122.6919 52.6993 39.1698 176.3590 28 I 3.8783 8.0718 125.7138 63.9606 37.5412 177.1955 29 D 4.4568 8.2428 119.1736 57.3044 40.4561 178.5213 30 A 4.0580 7.9916 120.2306 54.8813 18.7238 179.6512 31 V 3.7502 7.6108 116.4249 66.3072 31.6468 178.3907 32 L 4.1335 8.4410 119.1068 57.6906 41.1700 178.8544 33 D 4.4882 8.1233 117.1510 56.9219 41.3029 178.1166 34 V 3.6224 7.9057 118.3940 64.0170 31.5586 175.3224 35 F 5.2407 7.4209 116.6329 55.2643 41.2192 175.5507 36 T 4.2615 8.6310 114.7899 61.3676 69.4675 175.3692 37 E 3.9077 8.7220 121.0577 58.6501 29.6206 178.3173 38 D 4.8833 7.9229 116.0344 52.7160 39.9636 176.0985 39 A 4.4232 7.8202 122.0825 52.6898 19.9774 177.2403 40 V 4.3055 8.6695 121.6167 61.5003 33.5977 174.6221 41 F 4.4587 9.1541 131.8516 56.1665 39.9399 171.9564 42 D 4.8289 8.7224 123.7558 51.4616 42.8381 175.1210 43 L 4.0975 7.5650 126.1694 53.9611 42.4650 179.2146 44 S 4.6413 7.6768 116.1262 60.3668 62.9851 176.6530 45 G 3.5887 7.9960 109.6142 47.5707 0.0000 174.0964 46 I 4.1419 7.7044 111.7193 60.5489 37.5436 176.2588 47 G 4.0107 8.3169 108.0800 45.7233 0.0000 173.6680 48 L 4.7535 7.4956 118.8368 52.7428 44.1129 175.6595 49 T 4.3942 8.2484 117.4810 62.5079 69.1138 173.3057 50 P 4.5294 0.0000 0.0000 63.1515 32.1034 175.5605 51 Q 4.9234 9.3322 121.6037 54.1173 32.7218 174.7899 52 V 4.7172 7.8302 119.1227 61.1972 35.2333 175.9742 53 G 4.5504 9.3123 108.8038 43.9306 0.0000 174.1932 54 H 4.1413 8.7549 115.8631 58.8239 28.5959 177.9879 55 A 4.1503 8.0590 122.2022 55.0431 18.2738 179.8086 56 G 3.5032 7.6210 103.9241 47.9010 0.0000 176.1846 57 I 3.2689 7.6854 122.3861 63.7641 36.9205 178.4631 58 R 3.9112 8.5115 119.9492 59.3153 30.0138 178.0260 59 E 3.8623 8.1990 119.0388 59.3060 29.6332 178.4359 60 F 3.7925 8.1006 120.4352 61.4880 39.4237 177.0868 61 F 3.6382 8.1263 116.7363 59.8446 38.6205 177.9947 62 T 3.8862 8.0423 116.1626 66.5796 68.3169 175.9524 63 N 4.1491 7.7626 118.2017 56.6049 38.8006 176.9835 64 V 3.4280 6.9579 118.0381 66.2167 31.6947 177.8344 65 F 4.7573 8.4273 116.0389 60.4581 38.7535 177.2971 66 A 4.2471 8.0217 120.0443 54.3488 18.3336 177.4324 67 N 4.7215 7.8827 114.1670 54.0150 39.0187 177.3486 *69 S 4.3502 8.1879 115.2252 58.4098 65.4849 173.6383 70 H 5.0187 8.0501 114.6673 54.5624 33.1961 172.2420 71 H 5.5488 8.8194 116.9328 54.4267 33.1863 172.9684 72 A 4.6762 8.4101 122.9217 51.3660 21.8253 174.9074 73 H 5.1896 9.0368 121.1564 54.0079 30.2111 172.4621 74 Y 4.2817 8.9062 121.5530 57.4062 39.1272 174.5429 75 L 5.2089 8.5530 123.7733 53.1392 44.8764 175.7132 76 T 4.2305 7.9895 112.3515 59.9876 73.1567 172.8780 77 N 4.0837 8.4318 115.2552 53.8957 35.8959 174.9953 78 F 4.5545 7.9427 115.3044 57.8737 39.7621 175.3262 79 A 4.6836 8.7801 124.4787 50.0501 22.0315 175.8378 80 V 3.8864 8.6098 123.3678 63.1690 31.8471 175.7029 81 T 4.5928 8.8157 117.7105 61.4123 70.1641 174.3616 82 G 4.2134 7.8666 106.8293 46.1545 0.0000 172.1937 83 Y 5.2642 8.5219 123.2139 56.2747 41.7158 174.0381 84 E 4.4026 8.9445 126.2213 55.9339 30.4171 176.5326 85 G 3.9440 6.0232 114.8250 43.9093 0.0000 173.9490 86 D 4.7941 7.7032 115.9930 53.4024 42.6282 175.5564 87 T 5.5234 7.5707 108.3148 60.6446 72.8658 172.2779 88 A 5.1645 8.8974 123.3981 51.6934 23.7151 174.6723 89 S 5.5667 8.8016 112.9738 56.7047 67.3553 172.9505 *91 R 4.6059 8.4010 118.4659 56.4799 31.2800 173.7560 92 A 4.8062 8.4046 124.6649 50.5721 23.3672 174.7948 93 Y 4.9635 8.6801 117.5166 57.1493 40.1107 175.2995 94 V 4.8178 8.6974 121.5929 60.0158 35.1113 174.7184 95 I 4.4371 8.7163 124.9725 60.1211 38.3300 175.0851 96 G 4.2778 9.1602 115.5776 44.4427 0.0000 171.6185 *98 G 4.4185 8.3525 107.3054 45.9220 0.0000 172.0386 99 V 4.9615 8.5530 119.7785 59.6166 34.6375 175.7389 100 G 4.2040 9.1524 112.6028 45.4339 0.0000 174.8341 101 K 4.1450 9.1512 119.8558 58.3872 32.0741 178.1928 102 D 4.5163 8.0695 116.1462 53.4010 39.6310 177.1882 103 G 3.9484 8.3751 109.0145 45.3529 0.0000 173.7582 104 R 4.3219 8.2341 120.0217 55.6744 31.1993 176.2183 105 A 5.0581 8.6485 125.6393 51.5666 20.7514 176.2687 106 V 4.7533 8.6078 118.5819 60.6653 35.0067 174.6110 107 T 4.9002 9.2384 120.3774 61.9397 72.3411 172.8369 108 V 4.5304 9.1430 127.6905 61.7719 33.3748 174.3743 109 N 5.1796 8.9453 126.2983 52.6126 39.8645 173.3889 110 G 4.2772 8.3650 114.1345 45.7592 0.0000 170.4100 111 R 5.1101 8.5452 119.3994 54.6959 34.2749 174.6195 112 Y 5.0505 8.6520 120.2868 56.7208 40.6420 174.8626 113 F 5.1919 9.4263 121.6443 56.0163 42.4453 173.8696 114 F 5.4028 9.1425 123.0703 56.1093 41.1720 174.9371 115 E 5.1547 9.2662 123.2984 55.1949 31.8778 175.5474 116 V 5.1825 8.9936 115.3904 59.8570 36.7388 174.4355 117 R 5.1508 9.2512 122.4587 54.5692 33.7565 174.0817 118 R 3.6077 8.4150 127.0862 55.7504 30.5174 175.5883 119 T 4.5771 8.2126 118.1472 59.7976 71.7704 175.4149 120 E 3.9041 8.6541 116.9407 58.2229 29.7353 176.7430 121 K 4.3983 7.8076 114.8740 56.6421 32.4724 176.2246 122 G 3.7919 7.9866 107.0280 43.8291 0.0000 173.1761 123 W 4.8026 8.4157 118.4213 56.7912 29.6368 175.9884 124 K 4.9617 9.0549 120.9745 54.4908 36.5969 175.1515 125 A 4.7826 8.9210 125.5553 52.0109 19.1855 178.2201 126 T 4.2942 9.0882 112.8744 61.7280 71.1714 174.5631 127 R 5.0812 7.6142 120.9681 55.4882 33.8810 173.0582 128 Y 5.2898 8.6495 126.3660 56.7453 42.3467 173.7828 129 T 5.4493 9.0574 117.0405 59.0484 73.0106 172.1464 *131 D 4.6449 8.4162 119.7979 53.6609 40.5041 173.7244 132 F 4.9965 8.3982 117.1051 56.5104 40.1922 176.2005 133 L 4.3589 8.5606 123.1816 54.6177 41.9521 175.0010 *135 P 3.8054 0.0000 0.0000 61.4082 32.4017 176.0174 136 L 3.7341 7.6583 123.1994 55.7956 42.4007 176.0522 137 S 4.5764 8.8380 120.3268 57.7985 64.0542 173.3194 138 G 4.2327 8.8632 114.9959 46.7107 0.0000 172.0220 139 T 4.6772 8.2284 115.8214 60.5211 70.6762 173.8675 140 L 4.7261 8.3207 125.2216 54.6945 42.2302 178.1790 141 D 4.4031 8.1431 122.4146 57.5693 40.7834 178.3302 142 N 4.4422 8.1802 114.0034 54.7157 38.7803 175.2430 143 A 4.2703 7.8539 119.7614 51.7216 19.9947 177.0562 144 K 4.1582 7.5244 120.7924 56.3193 32.2365 176.4175 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 Q 8.34 4.28 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 C 8.34 2.45 0.00 2.49 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 4 P 0.00 4.27 0.00 2.32 1.95 0.00 3.33 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 5 I 8.44 3.66 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 0.86 0.00 0.00 6 E 8.10 3.99 0.00 1.97 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 2.31 1.97 0.00 7 D 7.99 4.68 0.00 2.79 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 8 R 7.94 3.63 0.00 1.70 1.97 0.00 3.00 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 9 L 7.97 3.82 0.00 1.65 1.60 0.86 0.71 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 10 A 7.95 4.01 1.50 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 0.00 0.00 11 I 7.33 3.50 1.50 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.34 0.72 0.00 0.00 12 Q 7.48 3.53 0.00 1.60 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 13 D 8.17 4.42 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.69 4.06 0.00 1.91 1.85 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *16 I 7.75 4.09 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 0.90 0.00 0.00 17 A 8.39 4.00 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.27 4.09 0.00 3.18 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 19 A 8.09 3.84 1.47 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 20 H 8.20 4.00 0.00 3.18 3.54 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.99 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.62 3.70 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.34 0.00 0.00 23 D 7.96 4.74 0.00 2.69 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 24 T 7.71 3.84 4.06 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 1.07 0.00 0.00 25 V 7.20 2.81 1.85 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 0.64 0.00 0.00 0.88 0.00 0.00 26 S 6.16 4.34 0.00 4.03 3.67 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 27 D 7.95 4.64 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.07 3.88 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.75 0.96 0.00 0.00 29 D 8.24 4.46 0.00 2.87 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 30 A 7.99 4.06 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.61 3.75 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 0.77 0.00 0.00 0.60 0.00 0.00 32 L 8.44 4.13 0.00 1.79 1.47 0.92 0.88 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 33 D 8.12 4.49 0.00 2.83 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 34 V 7.91 3.62 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 0.39 0.00 0.00 1.07 0.00 0.00 35 F 7.42 5.24 0.00 3.17 3.01 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 36 T 8.63 4.26 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 1.31 0.00 0.00 37 E 8.72 3.91 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 38 D 7.92 4.88 0.00 2.77 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 39 A 7.82 4.42 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.67 4.31 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 0.86 0.00 0.00 0.92 0.00 0.00 41 F 9.15 4.46 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.72 4.83 0.00 2.65 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 0.00 0.00 0.00 0.00 43 L 7.57 4.10 0.00 1.44 1.33 0.51 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.68 4.64 0.00 3.98 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 45 G 8.00 3.59 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 0.00 0.00 0.00 46 I 7.70 4.14 1.50 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 -0.05 0.00 0.00 47 G 8.32 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 48 L 7.50 4.75 0.00 1.82 1.70 1.11 0.83 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 49 T 8.25 4.39 4.29 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 1.22 0.00 0.00 50 P 0.00 4.53 0.00 1.91 1.92 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 51 Q 9.33 4.92 0.00 1.81 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 52 V 7.83 4.72 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 0.80 0.00 0.00 0.95 0.00 0.00 53 G 9.31 4.55 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 54 H 8.75 4.14 0.00 3.19 3.37 0.00 5.65 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 55 A 8.06 4.15 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 56 G 7.62 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 0.00 0.00 0.00 57 I 7.69 3.27 1.64 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.53 0.57 0.00 0.00 58 R 8.51 3.91 0.00 1.86 2.15 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 59 E 8.20 3.86 0.00 2.31 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 0.00 2.31 2.20 0.00 60 F 8.10 3.79 0.00 2.88 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 61 F 8.13 3.64 0.00 2.92 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 0.00 0.00 0.00 0.00 62 T 8.04 3.89 4.37 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 1.22 0.00 0.00 63 N 7.76 4.15 0.00 2.71 2.66 0.00 0.00 6.90 7.39 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 64 V 6.96 3.43 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 1.12 0.00 0.00 0.27 0.00 0.00 65 F 8.43 4.76 0.00 3.11 3.01 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 66 A 8.02 4.25 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 67 N 7.88 4.72 0.00 2.89 2.98 0.00 0.00 6.90 7.50 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 *69 S 8.19 4.35 0.00 3.87 3.64 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 70 H 8.05 5.02 0.00 3.08 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.82 5.55 0.00 3.05 3.47 0.00 5.71 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 72 A 8.41 4.68 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 9.04 5.19 0.00 3.02 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.91 4.28 0.00 2.96 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 75 L 8.55 5.21 0.00 1.50 1.20 0.98 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.99 4.23 4.08 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 0.00 0.00 0.00 1.17 0.00 0.00 77 N 8.43 4.08 0.00 1.89 2.10 0.00 0.00 6.88 7.45 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 78 F 7.94 4.55 0.00 2.83 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 79 A 8.78 4.68 1.18 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 0.00 0.00 80 V 8.61 3.89 2.05 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 0.85 0.00 0.00 0.84 0.00 0.00 81 T 8.82 4.59 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 1.37 0.00 0.00 82 G 7.87 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 83 Y 8.52 5.26 0.00 2.89 2.87 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 84 E 8.94 4.40 0.00 1.83 1.79 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 2.21 2.20 0.00 85 G 6.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.70 4.79 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 5.52 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 1.25 0.00 0.00 88 A 8.90 5.16 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 89 S 8.80 5.57 0.00 4.06 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 *91 R 8.40 4.61 0.00 2.13 1.95 0.00 3.33 0.00 0.00 3.61 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.31 0.00 92 A 8.40 4.81 0.65 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 93 Y 8.68 4.96 0.00 2.63 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 94 V 8.70 4.82 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 0.86 0.00 0.00 0.99 0.00 0.00 95 I 8.72 4.44 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.95 0.94 0.00 0.00 96 G 9.16 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 0.00 0.00 0.00 0.00 *98 G 8.35 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.55 4.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 100 G 9.15 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.15 4.14 0.00 1.74 1.89 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.42 7.81 102 D 8.07 4.52 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.38 3.95 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 0.00 0.00 0.00 104 R 8.23 4.32 0.00 1.94 1.89 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 105 A 8.65 5.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.61 4.75 2.33 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 0.80 0.00 0.00 1.15 0.00 0.00 107 T 9.24 4.90 4.29 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 1.27 0.00 0.00 108 V 9.14 4.53 2.24 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 1.11 0.00 0.00 1.13 0.00 0.00 109 N 8.95 5.18 0.00 2.80 2.75 0.00 0.00 6.78 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.36 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 0.00 0.00 0.00 0.00 111 R 8.55 5.11 0.00 1.59 1.24 0.00 3.16 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.34 0.00 112 Y 8.65 5.05 0.00 2.74 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 0.00 113 F 9.43 5.19 0.00 3.03 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 0.00 114 F 9.14 5.40 0.00 2.92 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 0.00 115 E 9.27 5.15 0.00 1.94 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 2.34 2.37 0.00 116 V 8.99 5.18 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.87 0.00 0.00 117 R 9.25 5.15 0.00 1.89 1.77 0.00 3.09 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 118 R 8.42 3.61 0.00 0.91 1.35 0.00 3.05 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 119 T 8.21 4.58 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 120 E 8.65 3.90 0.00 2.01 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 2.23 1.91 0.00 121 K 7.81 4.40 0.00 1.76 1.84 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 122 G 7.99 3.79 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 0.00 0.00 0.00 123 W 8.42 4.80 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.05 4.96 0.00 1.67 1.77 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.55 7.81 125 A 8.92 4.78 0.71 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 0.00 0.00 126 T 9.09 4.29 4.29 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 1.27 0.00 0.00 127 R 7.61 5.08 0.00 1.89 1.77 0.00 3.14 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 128 Y 8.65 5.29 0.00 2.44 2.39 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 0.00 129 T 9.06 5.45 4.17 0.00 0.00 0.00 0.00 0.00 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 *131 D 8.42 4.64 0.00 3.02 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 0.00 132 F 8.40 5.00 0.00 3.07 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 0.00 133 L 8.56 4.36 0.00 1.67 1.59 -0.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 *135 P 0.00 3.81 0.00 1.97 1.88 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 136 L 7.66 3.73 0.00 1.08 1.39 1.17 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.84 4.58 0.00 3.93 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 0.00 138 G 8.86 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 0.00 139 T 8.23 4.68 4.26 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 1.24 0.00 0.00 140 L 8.32 4.73 0.00 1.82 1.71 1.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.14 4.40 0.00 2.81 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 0.00 142 N 8.18 4.44 0.00 2.74 2.88 0.00 0.00 6.75 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 0.00 143 A 7.85 4.27 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 0.00 144 K 7.52 4.16 0.00 1.82 1.72 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.26 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.