NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3234 8.3044 120.3352 55.4756 33.8007 175.4261 2 D 4.5444 7.7647 121.8770 52.9054 39.3331 174.4488 3 F 5.0831 8.8427 120.7672 57.1746 41.2122 175.3082 4 R 4.9323 9.2694 119.7320 54.6873 34.7504 174.1774 5 I 4.9481 8.4906 115.2975 59.3095 40.8499 174.4865 6 G 4.4352 8.9978 110.1493 44.6925 0.0000 171.3176 7 Q 5.1676 8.5797 117.8227 54.4126 32.5832 173.9627 8 G 4.3915 9.2259 106.9010 45.1101 0.0000 170.7408 9 Y 5.3847 8.5053 120.8566 55.9530 42.0789 173.6828 10 D 4.6230 8.3503 123.9911 52.9471 45.3739 174.0998 11 V 4.7399 7.7533 121.4735 60.6286 34.6551 173.7564 12 H 5.0197 8.7848 118.4825 53.9427 33.5382 172.9930 13 Q 4.6526 8.6892 119.7312 56.1547 30.0878 175.0669 14 L 5.0427 8.4636 123.1060 54.0876 42.7794 176.7100 15 V 4.7281 9.0888 116.7151 58.5818 36.2841 173.4455 16 P 4.5712 0.0000 0.0000 63.8156 32.0141 176.5434 17 G 3.9162 8.8897 108.6173 45.8133 0.0000 173.3061 18 R 4.6817 7.4356 118.0592 52.8912 33.0347 173.3369 19 P 4.5818 0.0000 0.0000 62.8774 32.5235 175.6003 20 L 4.3910 8.5476 124.5442 54.4498 43.1839 175.2080 21 I 5.0647 8.2990 127.4335 59.6233 40.5363 174.9774 22 I 4.6276 8.2121 127.8416 60.4990 40.1363 175.9682 23 G 3.9209 9.9986 112.6421 46.6047 0.0000 175.0711 24 G 3.9017 9.0455 106.7997 44.9836 0.0000 174.2591 25 V 4.1106 7.4823 120.6191 61.3300 32.5621 174.6675 26 T 4.5719 8.4437 124.4371 63.4048 68.9870 173.8988 27 I 4.3356 8.5724 128.4053 58.4768 39.1506 174.1100 28 P 4.3711 0.0000 0.0000 63.3223 31.5831 175.3193 29 Y 4.6983 8.1148 121.9563 56.9822 41.2534 173.7564 30 E 4.0334 7.9800 124.7364 58.0301 29.8922 176.6018 31 R 4.8831 7.1602 116.2680 54.4102 34.7005 173.9959 32 G 4.6892 8.9939 107.0283 43.9031 0.0000 171.3533 33 L 4.9870 8.4417 119.4734 53.9088 42.7568 176.3782 34 L 4.5571 9.3612 125.4392 51.5237 43.2996 176.9647 35 G 4.1420 8.3009 113.4478 46.2515 0.0000 172.7156 36 H 4.3292 8.5805 124.8443 57.3153 30.1671 175.3243 37 S 3.6385 8.3469 120.8247 59.7970 60.3717 169.7838 38 D 4.5649 8.9555 119.7835 54.3251 39.2490 176.2154 39 A 3.5033 7.8447 121.4550 53.5962 16.5865 178.8350 40 D 4.7228 8.0157 121.5741 54.6559 40.3969 175.7452 41 V 4.0163 8.0500 128.7054 63.8544 31.3717 178.0120 42 L 3.8875 7.7838 120.2115 58.0080 42.0786 178.7654 43 L 4.0215 8.0831 118.9462 58.0087 41.4241 179.2973 44 H 4.2831 8.3822 116.0854 58.8454 28.6910 177.6048 45 A 4.0269 8.1183 122.5337 55.3106 18.1596 179.8103 46 I 3.6841 7.8877 118.2288 64.7127 37.0938 178.6829 47 T 3.7172 8.1456 116.7957 66.8609 68.2369 176.3566 48 D 4.5135 8.4577 120.5506 57.3398 40.7541 178.7145 49 A 4.2400 8.0859 122.6474 54.5349 18.4583 179.7961 50 L 3.8320 8.0407 117.5097 58.0561 41.6766 179.6897 51 F 4.5608 8.2650 118.0212 60.5706 38.7590 178.0709 52 G 3.5786 8.4837 105.5021 47.7173 0.0000 175.7271 53 A 4.2872 8.3351 123.5673 53.8509 18.4566 178.6466 54 A 3.0745 7.5324 115.7877 50.7912 19.6955 176.7246 55 A 3.7056 7.5203 119.3880 53.7567 16.5421 177.7676 56 L 4.7171 8.5264 116.0078 55.0429 43.5658 178.2739 57 G 3.9754 8.9751 109.0586 45.1326 0.0000 174.8678 58 D 4.8649 7.9973 125.2364 50.3876 42.5935 175.7068 59 I 4.0322 9.3541 119.0086 64.2643 37.4801 177.9193 60 G 3.6336 7.9617 105.4173 47.2647 0.0000 175.4623 61 R 3.8839 7.6709 120.0695 59.5564 30.1252 177.8100 62 H 4.0875 7.5389 114.0674 56.4268 30.2518 175.5336 63 F 5.1256 7.4875 118.3937 54.9716 39.0297 175.0524 64 S 3.8904 8.1357 117.1063 60.6748 63.6636 175.7352 *73 A 3.9736 7.8077 123.6671 51.6242 19.6069 174.9351 74 D 4.6655 8.3577 121.2044 54.0551 42.1609 177.6374 75 S 4.2292 8.9813 124.1164 61.0968 62.7529 176.9131 76 R 3.8691 8.3421 121.3604 58.9950 29.7982 178.6583 77 A 3.9335 8.0133 120.1675 55.0732 18.3733 179.5364 78 L 3.2985 7.5723 117.0087 57.5484 41.5284 179.4332 79 L 3.9186 8.0909 120.5640 58.2535 42.0239 179.2584 80 R 3.9015 8.2362 118.2985 59.2199 29.9724 178.7156 81 E 4.0403 8.3627 119.2075 59.1607 29.5846 178.1941 82 C 3.9551 8.7337 119.1131 62.6253 31.5800 175.5361 83 A 3.9136 8.2375 122.4864 55.1563 17.8099 179.5561 84 S 4.0919 8.2708 111.7016 61.6559 62.5076 176.6897 85 R 4.0155 8.2957 120.8917 59.1649 29.8197 179.1922 86 V 3.7519 8.1988 118.1723 65.9151 31.4603 178.0089 87 A 4.6313 8.1617 121.9293 54.8679 18.0532 179.4535 88 Q 3.9145 8.2576 116.9611 58.9309 29.2010 177.6108 89 A 4.3207 7.9310 120.0008 52.7027 18.9224 177.9609 90 G 3.7843 8.2442 106.5047 44.6963 0.0000 172.8907 91 F 5.2620 8.2708 118.3305 55.6818 41.5012 174.5596 92 A 5.0202 8.9245 124.4287 50.2989 21.3991 176.0432 93 I 4.1833 8.3779 122.9358 61.5080 37.5464 175.9262 94 R 4.5469 9.1422 126.8214 58.0598 31.3400 176.2064 95 N 5.0039 7.6603 113.4126 52.1145 40.7810 173.3582 96 V 4.9647 8.6946 118.9551 61.2680 35.1846 173.7052 97 D 5.4845 9.2799 125.9780 51.7996 45.1380 174.0508 98 S 5.0743 8.1446 115.0899 58.0458 66.4620 173.3286 99 T 5.0382 9.0480 116.9516 62.0269 72.8465 172.9582 100 I 4.8145 8.8993 126.5473 59.6097 40.1163 174.5840 101 I 4.8918 8.9597 127.8057 59.6325 39.1356 174.6729 102 A 4.7876 8.7638 128.8808 50.3017 22.0865 176.8048 103 Q 3.8912 9.0746 123.5859 59.0130 29.4770 175.9366 104 A 4.2901 7.1112 116.6499 50.6291 21.5946 173.7949 105 P 4.4230 0.0000 0.0000 62.0035 32.8426 176.5276 106 K 4.0960 8.3996 120.0411 54.9589 31.8790 173.4741 107 L 4.5330 8.4442 123.1747 54.5319 42.4998 178.5105 108 A 3.9783 8.0529 121.0457 55.0470 17.9981 177.5858 109 P 4.3171 0.0000 0.0000 64.6446 31.6876 177.2004 110 H 4.8321 8.1720 114.2452 55.7149 30.0000 176.3625 111 I 3.7050 7.5398 122.1259 64.5012 36.9501 177.9000 112 D 4.3322 8.0963 118.9910 57.2986 40.6707 178.5531 113 A 4.0166 7.9531 120.8216 55.3022 18.4331 179.4322 114 M 4.2224 8.0008 118.5897 57.9981 31.9683 178.8111 115 R 3.8586 8.1707 118.6691 59.5103 30.2361 178.3713 116 A 3.9799 8.1375 120.4249 55.2029 18.3628 179.4045 117 N 4.2922 8.1941 115.0180 56.4722 38.6403 177.8040 118 I 3.6823 7.9233 120.9682 64.2315 37.1671 178.1892 119 A 3.9757 8.2714 121.7029 55.1866 18.3152 179.4727 120 A 3.9309 8.0683 119.0602 55.6353 18.2814 179.7213 121 D 4.3760 8.0832 115.8645 56.5818 40.9598 177.9314 122 L 4.3783 7.8411 116.8820 53.1933 42.8508 175.5435 123 D 4.3530 7.6757 117.4723 55.6114 40.0700 172.8257 124 L 4.8555 7.9672 117.1186 51.8410 45.0679 175.5419 125 P 4.4999 0.0000 0.0000 62.3552 32.2760 177.3015 126 L 3.9841 8.6076 119.8411 58.1286 41.6050 178.7466 127 D 4.5963 8.0533 114.7157 54.4370 39.7259 176.4310 128 R 4.6254 8.1544 118.5945 55.9971 31.7329 175.2263 129 V 4.8642 7.9070 119.3278 61.0690 33.8273 174.3795 130 N 5.0957 9.1013 125.2176 51.8924 42.7680 172.9948 131 V 4.9594 8.3013 123.9472 59.9859 34.4101 174.4773 132 K 4.8418 9.0499 126.4043 54.5097 35.6011 174.9284 133 A 5.2755 8.4827 123.1630 50.2771 22.1812 175.6697 134 K 4.7450 8.9739 119.2480 54.8771 36.9293 176.5519 135 T 4.6225 8.4149 113.5891 60.0383 70.9944 173.5359 136 N 4.7283 8.5156 116.5489 52.9770 39.1009 174.2218 137 E 3.9202 8.6456 112.8160 57.0050 27.6177 175.8090 138 K 3.9111 8.1572 113.0129 56.8688 30.2449 175.9775 139 L 4.3669 7.7889 120.0137 54.2576 43.2045 178.4871 140 G 4.2243 8.4650 111.6755 45.1591 0.0000 173.3145 141 Y 4.2279 7.9761 115.7522 60.0117 37.8181 178.1856 142 L 4.0920 7.0863 120.7570 57.6406 41.6191 179.4234 143 G 3.6676 7.9881 104.5257 47.2217 0.0000 174.9408 144 R 4.4460 7.7593 117.9195 55.2966 30.3556 176.6164 145 G 4.0029 7.8746 106.6770 46.7462 0.0000 175.1971 146 E 4.1942 8.5707 121.6151 58.1745 29.8714 176.3569 147 G 4.6367 7.5069 103.4625 45.7637 0.0000 172.3799 148 I 4.9623 8.5508 119.5503 59.3942 41.1404 174.8458 149 E 5.0379 8.9124 126.2819 54.4687 32.6806 174.3708 150 A 5.2237 8.7386 125.2476 50.3021 23.0191 175.0421 151 Q 5.2013 9.2516 118.5975 54.2341 32.9227 174.5779 152 A 5.2593 9.0758 122.4132 50.4832 23.3521 174.9064 153 A 5.1876 9.3129 120.7948 50.1771 22.8973 175.2182 154 A 5.0810 9.0495 122.0779 50.0352 23.2643 174.6050 155 L 5.1062 8.7594 122.7825 53.4328 44.7761 175.8285 156 V 5.1991 8.9161 118.5316 59.5152 36.4636 174.6705 157 V 4.7915 8.7958 120.5813 60.0316 34.6173 174.6291 158 R 4.1105 9.1016 128.3364 57.6405 30.5753 176.7511 159 E 4.2177 8.8922 122.3386 56.0900 30.9079 171.3587 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 M 8.30 4.32 0.00 1.40 1.99 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 2 D 7.76 4.54 0.00 2.84 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 5.08 0.00 3.02 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 4 R 9.27 4.93 0.00 1.62 1.76 0.00 3.31 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 5 I 8.49 4.95 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 1.29 1.22 0.92 0.00 0.00 6 G 9.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.58 5.17 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.23 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 9 Y 8.51 5.38 0.00 2.91 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 10 D 8.35 4.62 0.00 2.73 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 11 V 7.75 4.74 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 0.79 0.00 0.00 1.04 0.00 0.00 12 H 8.78 5.02 0.00 3.03 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.69 4.65 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 14 L 8.46 5.04 0.00 1.59 1.69 1.03 1.09 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 15 V 9.09 4.73 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 0.78 0.00 0.00 0.99 0.00 0.00 16 P 0.00 4.57 0.00 2.05 2.02 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 17 G 8.89 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 0.00 0.00 0.00 18 R 7.44 4.68 0.00 1.81 1.79 0.00 3.29 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 19 P 0.00 4.58 0.00 2.07 2.05 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 20 L 8.55 4.39 0.00 2.16 1.85 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.30 5.06 1.83 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 1.32 0.68 0.88 0.00 0.00 22 I 8.21 4.63 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.87 0.00 0.00 23 G 10.00 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 0.00 0.00 0.00 24 G 9.05 3.90 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 25 V 7.48 4.11 2.17 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 0.95 0.00 0.00 0.99 0.00 0.00 26 T 8.44 4.57 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 1.21 0.00 0.00 27 I 8.57 4.34 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.62 0.73 0.00 0.00 28 P 0.00 4.37 0.00 1.99 2.05 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 29 Y 8.11 4.70 0.00 2.76 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.98 4.03 0.00 1.64 1.81 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 0.00 2.14 2.20 0.00 31 R 7.16 4.88 0.00 1.73 1.93 0.00 3.19 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 32 G 8.99 4.69 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 33 L 8.44 4.99 0.00 1.55 1.57 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.36 4.56 0.00 1.63 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.30 4.14 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 0.00 36 H 8.58 4.33 0.00 3.33 3.25 0.00 5.97 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 37 S 8.35 3.64 0.00 3.78 3.23 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 38 D 8.96 4.56 0.00 2.68 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 39 A 7.84 3.50 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 40 D 8.02 4.72 0.00 2.81 2.45 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 0.00 0.00 0.00 0.00 41 V 8.05 4.02 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 1.07 0.00 0.00 0.99 0.00 0.00 42 L 7.78 3.89 0.00 1.74 1.79 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.08 4.02 0.00 1.71 1.69 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.38 4.28 0.00 3.37 3.38 0.00 5.64 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 45 A 8.12 4.03 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 46 I 7.89 3.68 1.86 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 1.51 0.66 0.88 0.00 0.00 47 T 8.15 3.72 4.51 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 1.32 0.00 0.00 48 D 8.46 4.51 0.00 3.01 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 49 A 8.09 4.24 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 50 L 8.04 3.83 0.00 1.59 1.53 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.27 4.56 0.00 3.04 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 52 G 8.48 3.58 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 0.00 0.00 0.00 53 A 8.34 4.29 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 54 A 7.53 3.07 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 55 A 7.52 3.71 1.35 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 0.00 0.00 0.00 56 L 8.53 4.72 0.00 1.73 1.65 1.11 0.98 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 57 G 8.98 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 58 D 8.00 4.86 0.00 3.09 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 59 I 9.35 4.03 2.21 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 1.76 1.84 0.98 0.00 0.00 60 G 7.96 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.67 3.88 0.00 1.63 1.87 0.00 3.10 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.00 62 H 7.54 4.09 0.00 2.10 2.03 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.49 5.13 0.00 3.15 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 64 S 8.14 3.89 0.00 3.99 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 *73 A 7.81 3.97 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 74 D 8.36 4.67 0.00 2.69 2.52 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 0.00 75 S 8.98 4.23 0.00 3.89 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 76 R 8.34 3.87 0.00 1.98 2.04 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 77 A 8.01 3.93 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 78 L 7.57 3.30 0.00 1.67 1.15 0.72 -0.21 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 79 L 8.09 3.92 0.00 1.78 1.78 0.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.24 3.90 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 81 E 8.36 4.04 0.00 2.18 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 2.69 2.80 0.00 82 C 8.73 3.96 0.00 2.77 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 83 A 8.24 3.91 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 84 S 8.27 4.09 0.00 4.02 4.11 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 85 R 8.30 4.02 0.00 2.24 2.12 0.00 3.34 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.05 0.00 86 V 8.20 3.75 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.92 0.00 0.00 87 A 8.16 4.63 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 88 Q 8.26 3.91 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 89 A 7.93 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.24 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 91 F 8.27 5.26 0.00 3.17 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 92 A 8.92 5.02 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 93 I 8.38 4.18 1.89 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 1.35 0.61 0.92 0.00 0.00 94 R 9.14 4.55 0.00 1.90 2.08 0.00 3.49 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 95 N 7.66 5.00 0.00 2.87 2.88 0.00 0.00 5.59 7.68 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 96 V 8.69 4.96 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.28 5.48 0.00 2.77 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 98 S 8.14 5.07 0.00 3.99 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 99 T 9.05 5.04 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 1.21 0.00 0.00 100 I 8.90 4.81 1.84 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 1.20 0.77 0.92 0.00 0.00 101 I 8.96 4.89 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.93 0.00 0.00 102 A 8.76 4.79 1.20 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 0.00 103 Q 9.07 3.89 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 104 A 7.11 4.29 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 0.00 105 P 0.00 4.42 0.00 2.07 1.75 0.00 3.31 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.40 0.00 106 K 8.40 4.10 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.44 4.53 0.00 1.65 1.71 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.05 3.98 1.30 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 0.00 0.00 0.00 109 P 0.00 4.32 0.00 1.70 2.00 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 110 H 8.17 4.83 0.00 3.22 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.54 3.71 1.86 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 1.75 0.84 0.92 0.00 0.00 112 D 8.10 4.33 0.00 2.67 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 0.00 113 A 7.95 4.02 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 0.00 114 M 8.00 4.22 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 115 R 8.17 3.86 0.00 1.95 2.14 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 116 A 8.14 3.98 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 0.00 117 N 8.19 4.29 0.00 3.00 2.86 0.00 0.00 7.03 7.64 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 0.00 118 I 7.92 3.68 1.98 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 1.44 0.92 0.90 0.00 0.00 119 A 8.27 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.07 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.08 4.38 0.00 2.80 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 0.00 122 L 7.84 4.38 0.00 1.61 1.68 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.68 4.35 0.00 2.78 2.67 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 0.00 124 L 7.97 4.86 0.00 1.61 1.53 0.92 0.91 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 0.00 125 P 0.00 4.50 0.00 2.45 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 126 L 8.61 3.98 0.00 1.73 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.05 4.60 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 0.00 128 R 8.15 4.63 0.00 1.92 2.07 0.00 3.08 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 129 V 7.91 4.86 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.10 5.10 0.00 2.84 2.74 0.00 0.00 6.26 7.11 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 0.00 131 V 8.30 4.96 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 1.22 0.00 0.00 0.92 0.00 0.00 132 K 9.05 4.84 0.00 1.80 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.45 7.81 133 A 8.48 5.28 1.16 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 0.00 0.00 134 K 8.97 4.75 0.00 1.60 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.50 7.81 135 T 8.41 4.62 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 1.20 0.00 0.00 136 N 8.52 4.73 0.00 2.75 2.72 0.00 0.00 7.03 7.65 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 0.00 137 E 8.65 3.92 0.00 2.11 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 2.25 2.39 0.00 138 K 8.16 3.91 0.00 1.91 1.94 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.44 7.81 139 L 7.79 4.37 0.00 1.78 1.52 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.47 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 0.00 141 Y 7.98 4.23 0.00 3.31 3.29 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 0.00 142 L 7.09 4.09 0.00 1.50 1.67 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.99 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 0.00 0.00 0.00 144 R 7.76 4.45 0.00 1.95 2.02 0.00 3.32 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 145 G 7.87 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 0.00 0.00 0.00 146 E 8.57 4.19 0.00 2.36 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 2.38 2.34 0.00 147 G 7.51 4.64 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 0.00 148 I 8.55 4.96 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.28 0.93 0.00 0.00 149 E 8.91 5.04 0.00 2.10 1.78 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 2.18 2.17 0.00 150 A 8.74 5.22 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 0.00 151 Q 9.25 5.20 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 152 A 9.08 5.26 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 0.00 153 A 9.31 5.19 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 9.05 5.08 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 0.00 155 L 8.76 5.11 0.00 1.78 1.68 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.92 5.20 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 0.66 0.00 0.00 0.82 0.00 0.00 157 V 8.80 4.79 1.64 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 0.86 0.00 0.00 0.24 0.00 0.00 158 R 9.10 4.11 0.00 1.75 1.80 0.00 2.97 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 159 E 8.89 4.22 0.00 2.03 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 2.09 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.