NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9528 8.2133 108.0311 46.4432 0.0000 172.0172 7 F 5.5283 8.0536 116.0081 54.2467 43.7820 173.7619 8 Y 5.0261 9.3254 117.4449 56.1350 41.9182 173.0953 9 I 4.9910 8.4238 120.6706 59.5574 40.3870 174.3953 10 R 4.8083 8.2036 123.1388 54.0921 32.8752 177.5447 11 R 5.0002 8.4021 125.7767 55.2411 28.9673 179.5047 *13 E 4.2004 8.6428 127.8304 56.6243 30.3476 175.5680 14 E 4.0553 9.0395 120.8828 59.7079 29.4360 178.3361 15 G 3.8642 8.0664 104.7385 47.0315 0.0000 174.3471 16 D 4.6474 8.7245 120.3790 55.3821 40.8383 177.5477 17 L 3.0736 7.7270 121.5871 58.1836 41.8061 178.2555 18 E 3.8617 7.9733 116.3640 59.9085 29.3670 179.1450 19 Q 3.9952 9.3506 119.8197 58.3193 28.7463 178.8741 20 V 3.6318 8.0963 119.9465 66.0999 31.6852 178.2408 21 T 3.9214 8.3070 110.1200 64.8171 68.3514 176.1285 22 E 3.9541 8.0014 121.2734 59.2116 29.7311 178.6612 23 T 4.1166 7.8988 115.9338 66.3613 68.6464 176.6329 24 L 4.1972 8.4582 120.1974 56.4403 41.5328 178.7191 25 K 5.0845 7.6872 118.7009 57.4004 32.1168 178.6445 26 V 3.7288 7.3931 118.9000 65.0289 31.4575 177.1771 27 L 4.2066 7.5982 119.5250 57.7298 43.0047 175.6792 28 T 4.1000 7.4122 115.0138 63.0830 71.3291 171.2068 29 T 4.5025 8.4162 117.3353 62.7323 70.6061 173.4977 *34 T 4.0605 8.1361 114.4466 61.7164 68.9855 172.5587 35 P 4.2767 0.0000 0.0000 66.1124 31.4196 178.4655 36 E 3.9632 8.1707 116.3436 59.6405 29.4588 179.5430 37 S 4.0582 7.9990 114.6109 61.4933 62.9833 176.3441 38 F 4.0490 8.4472 123.5225 61.2295 39.1226 176.6441 39 C 3.9022 8.3251 118.4163 62.5540 31.4387 175.8212 40 K 3.8953 8.0799 120.0651 59.1797 31.5747 179.1942 41 L 3.5241 8.0382 120.9789 57.9928 41.7035 179.0549 42 I 3.2593 7.1825 118.8745 63.9214 37.2018 178.2785 43 K 4.0305 7.7697 119.3021 59.5626 31.8902 178.3586 44 Y 4.2295 7.6618 119.5022 60.8812 38.4965 178.4469 45 W 4.1366 7.6908 117.3516 58.5286 29.1456 177.0376 46 N 4.8859 7.8988 114.7530 52.7654 38.6490 174.1778 47 E 4.2950 7.9535 120.2414 57.4465 31.2760 175.8213 48 A 3.9840 7.9439 122.0433 53.2917 18.3583 176.4097 49 T 4.7934 8.2837 118.7286 62.2522 71.4183 174.2611 50 V 4.2033 8.0759 124.5337 61.1517 32.5199 175.7680 51 W 4.4627 9.0832 135.0000 57.6272 31.4505 174.8226 52 N 3.1400 6.9198 120.0375 51.6965 38.1596 173.9048 53 D 4.5050 7.6633 122.3064 55.2249 41.0122 175.4523 54 N 4.2860 7.6872 129.7686 53.0553 45.7800 178.2862 *58 K 4.0747 8.9065 125.2776 57.2123 33.4027 174.4219 59 I 4.1971 7.4893 124.4046 59.8156 40.1432 174.7529 *61 Q 4.0942 8.5957 120.2726 56.9719 30.7719 175.7127 62 Y 4.6646 7.9590 114.7892 56.3340 39.6776 175.5741 63 N 5.1761 8.5652 118.8438 51.2529 38.9796 172.1214 64 P 4.4136 0.0000 0.0000 62.5410 34.0390 177.1887 *66 V 4.0803 8.1180 112.8969 61.4632 33.5126 174.4913 67 I 4.4849 8.6113 126.1620 60.2255 38.7911 174.9168 68 V 4.6632 8.7087 127.3863 60.7331 34.7588 173.9438 69 D 4.6132 8.7201 127.6381 53.9329 41.2912 176.4971 70 K 4.0546 8.7393 127.1064 60.0274 32.0726 178.9818 71 R 4.0737 8.8419 118.5212 59.2068 30.0713 178.0339 72 T 4.5570 7.9910 105.3220 61.2148 70.0811 173.8307 73 E 3.8660 8.1982 118.5488 58.7547 27.3058 175.2713 74 T 5.1443 7.2436 114.2400 60.3585 72.4193 175.1523 75 V 3.7464 8.6148 126.1910 63.6883 31.5072 175.1648 76 A 3.7919 8.9959 130.5974 53.1351 20.5158 176.2650 77 A 4.8486 7.3268 114.6133 51.5187 22.7149 175.2720 78 T 4.8182 8.7732 113.8287 60.8307 71.3706 172.9458 79 G 4.3835 8.2084 110.8531 45.2747 0.0000 171.9738 80 N 5.3148 8.8980 121.1476 51.3749 42.6158 173.0816 81 I 4.9346 8.0115 124.7194 59.2825 40.4605 174.5589 82 I 4.1557 8.6689 131.8605 60.6936 38.4694 175.0822 83 I 4.6618 8.5325 128.5014 59.6747 38.5619 175.0824 84 E 4.7506 9.0524 124.0942 54.5963 33.2598 174.5154 85 R 4.9701 8.6366 120.4567 55.0476 31.9025 175.9995 86 K 4.5726 9.1106 123.4900 55.1026 35.3872 177.3182 87 I 3.8831 8.2984 120.4108 63.6867 37.8620 176.8812 88 I 3.9856 7.5880 112.7583 61.4202 37.7297 174.3340 89 H 3.7509 9.2336 116.3556 57.1443 28.2330 173.6199 90 E 3.6191 8.5900 110.2687 57.5985 26.2925 174.4228 91 L 4.5810 7.8341 111.3922 55.0037 40.3074 175.9048 92 G 3.9939 8.1479 104.8151 46.3030 0.0000 173.2787 93 L 5.2922 8.6172 120.3751 53.1921 44.0315 175.1329 94 C 4.9350 9.1439 123.8964 57.4091 34.7082 172.6632 95 G 4.2191 8.3585 112.7108 44.8762 0.0000 172.1192 96 H 5.3295 9.2719 120.2854 53.7644 31.8467 172.9577 97 I 4.6219 8.5437 125.9145 60.4143 37.7395 175.3508 98 E 4.6208 9.0894 126.6300 53.9879 33.5011 175.4084 99 D 4.6221 8.3152 117.7076 55.5640 38.4478 174.2574 100 I 4.5002 7.6068 118.1260 60.9786 38.3289 177.0977 101 A 4.6230 9.1109 128.6515 50.4820 22.9667 174.6449 102 V 4.4260 8.1809 122.0545 60.5667 33.5757 174.9329 103 N 4.3282 8.9070 127.1667 54.2067 39.0491 175.4131 104 S 4.1338 9.2442 122.3553 62.0159 63.0173 176.8281 105 K 4.1096 8.1742 116.3061 58.3663 31.9613 176.9061 106 Y 4.9440 8.5992 115.3741 56.4334 39.1065 175.7146 107 Q 4.1441 7.5753 118.6486 57.1381 29.2005 177.1496 108 G 3.9794 8.7627 107.9910 45.9779 0.0000 174.2243 109 Q 4.2439 7.7272 116.7638 55.6977 28.9550 177.2544 110 G 4.0836 8.1919 106.5210 46.1504 0.0000 175.6940 111 L 3.9372 7.8014 121.3970 57.3074 41.5658 179.0983 112 G 3.8424 8.1627 105.3713 48.0172 0.0000 175.3669 113 K 3.9378 8.1060 121.6421 59.1800 32.2441 178.7947 114 L 4.0368 7.7532 119.4375 57.3329 41.4241 179.2171 115 L 3.9119 8.1934 120.7657 58.2795 42.0035 179.0862 116 I 3.8019 7.9113 119.7030 64.5926 37.0331 178.1500 117 D 4.3845 8.2791 119.6792 57.3564 40.5997 178.9675 118 Q 3.9349 8.2987 118.7561 59.0514 28.7104 178.7044 119 L 3.9581 8.2467 120.3739 57.7141 41.5302 179.8270 120 V 3.3367 8.0679 118.3340 66.3750 31.5096 178.2473 121 T 3.9116 7.8563 115.3954 66.5760 68.3042 176.8054 122 I 3.5419 7.7910 121.9325 64.0894 37.1999 178.3567 123 G 3.6420 8.0717 106.7837 48.2419 0.0000 175.7665 124 F 4.6401 8.0754 121.0210 60.0209 38.6612 177.5950 125 D 4.4807 8.1496 117.8911 57.2065 40.6341 177.9619 126 Y 4.6152 7.6980 116.4953 59.3939 37.9501 176.3077 127 G 4.1236 8.0643 105.6865 45.0738 0.0000 173.9224 128 C 4.3192 7.8523 117.4804 60.6328 28.5840 173.6375 129 Y 4.5468 8.3322 120.4576 57.9839 38.6874 175.1414 130 K 4.6136 6.7670 118.1908 56.3137 35.8424 174.2710 131 I 5.0150 7.9781 120.5064 59.6682 41.0448 174.5720 132 I 4.9642 8.7675 119.0772 59.4521 41.4816 173.7076 133 L 4.5588 8.0099 120.0037 55.3574 42.4988 173.6668 134 D 4.8933 8.4615 120.0276 52.8800 43.0920 175.4963 135 C 4.6786 7.9458 115.7731 56.8194 32.7906 173.0772 136 D 4.7439 8.3450 119.8411 52.0112 40.1757 176.9964 137 E 3.9800 8.8425 119.1259 59.7422 29.5846 180.1660 138 K 4.0445 8.3540 117.3199 59.0303 32.3153 178.0238 139 N 4.7987 8.5063 114.6229 53.0855 38.5354 177.0591 140 V 3.7240 7.5175 121.0846 66.1259 31.6113 177.8040 141 K 4.1130 8.1450 118.9773 58.8066 32.0189 178.5031 142 F 3.9734 8.3239 120.0445 61.8869 39.2174 176.7782 143 Y 3.9271 8.2723 115.9510 60.7859 37.6925 178.1959 144 E 4.9617 8.5590 121.4881 58.9456 29.3683 179.3103 145 K 4.1809 8.1683 117.3681 58.5365 32.1495 178.0485 146 C 4.4547 7.0862 114.1411 59.2894 28.5020 174.1430 147 G 4.0142 8.0347 108.9439 45.1396 0.0000 173.9773 148 F 4.6486 8.5997 119.1527 56.1533 40.3526 175.0150 149 S 5.0119 8.2667 116.8823 56.0401 65.5442 173.6180 150 N 4.3889 8.7733 120.0265 54.1320 38.0596 174.0110 151 A 4.6914 9.6235 127.6932 50.1517 19.6982 176.1184 152 G 3.9473 5.9353 106.3761 46.5413 0.0000 171.9692 153 V 4.2809 7.7342 118.4247 60.8579 33.7242 175.5137 154 E 4.1959 8.4808 127.9181 54.9757 30.9386 174.5034 *156 Q 4.1676 8.0700 117.9647 56.1171 29.5458 174.2383 157 I 4.5407 7.8997 117.0064 59.6917 40.9893 174.0505 158 R 4.6615 8.2317 125.8053 53.8579 32.4739 176.0648 159 K 4.1069 8.5274 120.1594 56.9044 32.1457 176.6446 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 G 8.21 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 7 F 8.05 5.53 0.00 2.95 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 8 Y 9.33 5.03 0.00 3.03 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 9 I 8.42 4.99 1.88 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 1.40 1.04 0.96 0.00 0.00 10 R 8.20 4.81 0.00 1.97 2.11 0.00 3.24 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 11 R 8.40 5.00 0.00 1.89 1.21 0.00 3.34 0.00 0.00 3.94 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 *13 E 8.64 4.20 0.00 2.14 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 2.36 2.55 0.00 14 E 9.04 4.06 0.00 1.93 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 2.38 2.44 0.00 15 G 8.07 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 16 D 8.72 4.65 0.00 2.95 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 17 L 7.73 3.07 0.00 0.34 1.27 0.29 0.62 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 18 E 7.97 3.86 0.00 2.15 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 0.00 2.34 2.34 0.00 19 Q 9.35 4.00 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 20 V 8.10 3.63 2.18 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 1.10 0.00 0.00 1.04 0.00 0.00 21 T 8.31 3.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 22 E 8.00 3.95 0.00 2.00 2.26 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 2.34 2.36 0.00 23 T 7.90 4.12 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 1.19 0.00 0.00 24 L 8.46 4.20 0.00 1.66 1.73 1.00 1.01 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 25 K 7.69 5.08 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.39 7.81 26 V 7.39 3.73 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 0.77 0.00 0.00 0.93 0.00 0.00 27 L 7.60 4.21 0.00 1.65 1.93 0.92 0.79 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 28 T 7.41 4.10 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 T 8.42 4.50 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *34 T 8.14 4.06 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 1.28 0.00 0.00 35 P 0.00 4.28 0.00 2.20 2.13 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 36 E 8.17 3.96 0.00 2.04 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 2.40 2.47 0.00 37 S 8.00 4.06 0.00 4.03 3.88 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 38 F 8.45 4.05 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 39 C 8.33 3.90 0.00 3.10 3.19 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 40 K 8.08 3.90 0.00 1.86 1.72 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.57 7.81 41 L 8.04 3.52 0.00 1.42 1.30 -0.08 0.78 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 42 I 7.18 3.26 1.65 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.01 0.80 0.00 0.00 43 K 7.77 4.03 0.00 1.96 1.83 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.61 7.81 44 Y 7.66 4.23 0.00 2.86 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 45 W 7.69 4.14 0.00 3.33 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 46 N 7.90 4.89 0.00 2.89 2.85 0.00 0.00 6.72 7.12 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 47 E 7.95 4.29 0.00 1.92 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 0.00 2.27 2.26 0.00 48 A 7.94 3.98 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 49 T 8.28 4.79 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 1.22 0.00 0.00 50 V 8.08 4.20 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 0.71 0.00 0.00 0.89 0.00 0.00 51 W 9.08 4.46 0.00 3.35 3.16 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 52 N 6.92 3.14 0.00 2.42 2.35 0.00 0.00 6.09 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 53 D 7.66 4.51 0.00 2.52 2.66 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 0.00 0.00 0.00 0.00 54 N 7.69 4.29 0.00 2.64 1.76 0.00 0.00 7.08 7.61 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 *58 K 8.91 4.07 0.00 1.73 1.77 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 59 I 7.49 4.20 1.59 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.48 -0.07 0.00 0.00 *61 Q 8.60 4.09 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.90 0.00 0.00 0.00 0.00 0.00 2.00 2.40 0.00 62 Y 7.96 4.66 0.00 2.38 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 0.00 0.00 0.00 0.00 63 N 8.57 5.18 0.00 2.83 2.71 0.00 0.00 6.74 8.08 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 64 P 0.00 4.41 0.00 2.18 1.62 0.00 3.72 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 *66 V 8.12 4.08 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 0.85 0.00 0.00 0.95 0.00 0.00 67 I 8.61 4.48 1.69 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 1.03 0.51 0.70 0.00 0.00 68 V 8.71 4.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.65 0.00 0.00 69 D 8.72 4.61 0.00 2.98 2.61 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 70 K 8.74 4.05 0.00 1.79 1.90 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.64 7.81 71 R 8.84 4.07 0.00 1.90 1.98 0.00 3.10 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 72 T 7.99 4.56 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 1.23 0.00 0.00 73 E 8.20 3.87 0.00 2.10 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 2.31 2.32 0.00 74 T 7.24 5.14 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 1.33 0.00 0.00 75 V 8.61 3.75 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 0.73 0.00 0.00 0.91 0.00 0.00 76 A 9.00 3.79 0.42 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 77 A 7.33 4.85 1.08 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 0.00 0.00 0.00 78 T 8.77 4.82 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 1.27 0.00 0.00 79 G 8.21 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 5.31 0.00 2.69 2.51 0.00 0.00 6.60 7.51 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 81 I 8.01 4.93 1.82 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 1.17 1.13 0.90 0.00 0.00 82 I 8.67 4.16 1.70 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.43 0.42 0.00 0.00 83 I 8.53 4.66 1.66 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.39 0.76 0.00 0.00 84 E 9.05 4.75 0.00 1.97 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 2.38 2.30 0.00 85 R 8.64 4.97 0.00 1.82 2.04 0.00 3.55 0.00 0.00 3.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 86 K 9.11 4.57 0.00 1.78 1.80 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.49 7.81 87 I 8.30 3.88 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 0.92 0.00 0.00 88 I 7.59 3.99 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 0.93 0.00 0.00 89 H 9.23 3.75 0.00 2.74 2.84 0.00 5.86 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.59 3.62 0.00 2.15 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 2.17 2.24 0.00 91 L 7.83 4.58 0.00 1.85 1.91 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.15 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 93 L 8.62 5.29 0.00 1.67 1.59 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 94 C 9.14 4.93 0.00 2.87 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 95 G 8.36 4.22 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 0.00 0.00 0.00 96 H 9.27 5.33 0.00 2.92 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.54 4.62 1.77 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.87 0.00 0.00 98 E 9.09 4.62 0.00 1.75 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 2.15 2.33 0.00 99 D 8.32 4.62 0.00 2.86 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 0.00 100 I 7.61 4.50 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.97 0.00 0.00 101 A 9.11 4.62 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.18 4.43 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 0.79 0.00 0.00 0.87 0.00 0.00 103 N 8.91 4.33 0.00 2.93 2.91 0.00 0.00 6.77 7.28 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 0.00 104 S 9.24 4.13 0.00 3.94 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 0.00 105 K 8.17 4.11 0.00 1.81 1.71 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.51 7.81 106 Y 8.60 4.94 0.00 2.94 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 0.00 107 Q 7.58 4.14 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 108 G 8.76 3.98 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 0.00 0.00 0.00 109 Q 7.73 4.24 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.62 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 110 G 8.19 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 0.00 0.00 0.00 0.00 111 L 7.80 3.94 0.00 1.56 1.49 0.19 0.36 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 0.00 112 G 8.16 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.11 3.94 0.00 1.84 1.80 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.31 7.81 114 L 7.75 4.04 0.00 1.63 1.68 0.92 0.50 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 0.00 115 L 8.19 3.91 0.00 1.74 1.92 0.90 1.26 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 0.00 116 I 7.91 3.80 1.93 0.00 0.00 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 1.71 0.63 1.17 0.00 0.00 117 D 8.28 4.38 0.00 2.87 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 0.00 118 Q 8.30 3.93 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 119 L 8.25 3.96 0.00 1.79 1.70 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.07 3.34 2.28 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 1.01 0.00 0.00 0.99 0.00 0.00 121 T 7.86 3.91 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 1.25 0.00 0.00 122 I 7.79 3.54 1.93 0.00 0.00 0.81 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 1.02 0.67 0.00 0.00 123 G 8.07 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 0.00 0.00 0.00 124 F 8.08 4.64 0.00 3.06 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 0.00 125 D 8.15 4.48 0.00 2.51 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 0.00 126 Y 7.70 4.62 0.00 3.26 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 0.00 127 G 8.06 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 0.00 128 C 7.85 4.32 0.00 3.02 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 0.00 129 Y 8.33 4.55 0.00 2.98 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 0.00 130 K 6.77 4.61 0.00 1.66 1.63 0.00 1.35 0.00 0.00 1.72 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.06 7.81 131 I 7.98 5.01 1.59 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 1.07 0.13 0.84 0.00 0.00 132 I 8.77 4.96 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.87 0.00 0.00 133 L 8.01 4.56 0.00 1.40 1.47 -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.46 4.89 0.00 2.59 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 0.00 135 C 7.95 4.68 0.00 3.12 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.35 4.74 0.00 2.93 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 0.00 137 E 8.84 3.98 0.00 2.03 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 0.00 2.42 2.32 0.00 138 K 8.35 4.04 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.70 7.81 139 N 8.51 4.80 0.00 2.91 3.00 0.00 0.00 6.54 7.29 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 0.00 140 V 7.52 3.72 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 1.23 0.00 0.00 1.06 0.00 0.00 141 K 8.15 4.11 0.00 1.86 1.90 0.00 2.06 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.36 7.81 142 F 8.32 3.97 0.00 3.02 3.14 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 0.00 143 Y 8.27 3.93 0.00 3.15 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 0.00 144 E 8.56 4.96 0.00 2.31 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 2.48 2.34 0.00 145 K 8.17 4.18 0.00 1.67 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.58 7.81 146 C 7.09 4.45 0.00 3.35 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.03 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 0.00 148 F 8.60 4.65 0.00 3.27 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 0.00 149 S 8.27 5.01 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 N 8.77 4.39 0.00 2.75 2.84 0.00 0.00 6.78 7.96 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 0.00 151 A 9.62 4.69 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 0.00 152 G 5.94 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 0.00 153 V 7.73 4.28 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 0.84 0.00 0.00 0.94 0.00 0.00 154 E 8.48 4.20 0.00 2.08 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 2.25 2.27 0.00 *156 Q 8.07 4.17 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.43 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 157 I 7.90 4.54 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.91 0.00 0.00 158 R 8.23 4.66 0.00 1.82 1.81 0.00 3.27 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 159 K 8.53 4.11 0.00 1.72 1.70 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.