NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6156 8.2516 119.7036 55.1916 33.3184 174.6302 2 V 4.1658 8.0589 122.0468 61.6228 32.0302 173.8892 3 K 4.3821 9.0932 129.0011 55.8817 34.0839 175.5390 4 Q 4.7869 8.6129 125.6673 55.2975 30.0737 174.5810 5 I 4.3225 8.4180 128.1387 59.7655 38.2796 175.5611 6 E 4.7211 8.4376 125.7833 54.9789 31.0274 175.9035 7 S 4.5982 7.5394 111.8498 56.3610 66.4611 175.6669 8 K 4.0164 8.4610 123.6943 59.8800 31.9174 179.1944 9 T 3.8523 7.9553 115.4939 66.6952 68.4611 176.2435 10 A 4.0023 8.3744 122.8991 54.8301 18.4287 179.5061 11 F 3.8840 8.1879 119.3136 61.6077 39.4620 177.4553 12 Q 3.9005 8.3753 117.7524 59.0718 28.5570 178.6715 13 E 3.8900 8.3759 119.3776 59.1675 29.1785 179.3640 14 A 3.8999 7.6392 120.2953 54.9231 18.3762 179.3026 15 L 3.8384 7.3695 117.1916 57.9610 41.2998 179.4285 16 D 4.3286 8.1816 118.6720 57.3549 40.6379 178.3876 17 A 4.2271 7.8048 117.9880 53.4380 18.8187 178.5756 18 A 4.1241 7.8729 119.0735 50.8021 18.7812 179.4555 19 G 3.7197 7.8909 104.5249 46.9815 0.0000 174.2105 20 D 4.7457 8.8922 122.4808 52.5653 39.6233 176.3403 21 K 4.2639 7.7752 119.6132 55.8644 33.0380 176.4685 22 L 4.3567 8.2963 123.9979 55.1992 43.6559 175.5052 23 V 4.6549 8.8376 125.7269 61.0469 34.2575 174.0889 24 V 4.4848 8.4993 128.2767 60.9643 33.8641 174.1625 25 V 4.7997 8.7811 128.2395 61.1022 34.4360 173.5701 26 D 4.4522 8.7286 128.1860 52.6158 42.6234 175.0970 27 F 4.7491 8.8188 127.0652 56.4160 40.2742 175.2670 28 S 4.8462 9.0016 118.2016 56.5247 66.6126 172.1921 29 A 4.7055 7.6024 122.4271 50.5308 21.7014 177.6399 30 T 3.8367 8.3492 110.2763 63.6992 69.2774 175.4859 31 W 4.4811 7.3954 117.1883 56.7006 28.8607 176.8497 32 C 4.7141 7.5931 120.8067 55.1888 44.7422 173.7072 33 G 3.7190 8.7198 115.4178 47.8784 0.0000 172.3272 34 P 4.3057 0.0000 0.0000 64.9528 31.2045 179.4486 35 C 4.2202 8.0951 114.9989 59.9661 39.9343 176.0073 36 K 3.9140 7.8153 118.5985 59.8493 31.7189 178.9224 37 M 4.2189 8.0234 117.8781 57.9148 32.1832 177.7733 38 I 4.3293 7.7377 116.4375 61.1964 38.5222 177.0811 39 K 4.0069 7.8442 120.9372 60.0094 31.9181 176.6021 40 P 4.3324 0.0000 0.0000 65.6170 31.2223 178.3990 41 F 4.4040 8.3222 120.4351 60.6004 39.5174 176.7250 42 F 4.1099 8.7343 120.6237 61.5699 39.0571 176.6369 43 H 3.9268 8.5850 118.1097 59.1810 29.7852 177.3770 44 S 4.0022 8.1536 116.2911 61.4198 62.7187 176.4971 45 L 3.8518 7.6061 123.0336 57.3308 41.2562 179.5876 46 S 2.7900 6.5961 113.5973 60.7100 62.4496 176.4115 47 E 3.8668 7.2165 121.5789 58.5785 29.3516 178.6803 48 K 4.0214 7.5938 118.9147 58.5070 33.2803 177.7236 49 Y 4.4943 8.0651 121.2623 56.5088 36.7780 176.3331 50 S 4.2625 8.2726 119.6420 60.2593 63.5027 174.7776 51 N 4.6601 8.1848 117.0896 53.6692 39.1829 174.1502 52 V 4.5547 7.4636 117.3377 61.8553 34.1296 174.6812 53 I 4.3322 8.4183 128.3652 60.2700 38.8824 174.5231 54 F 5.0415 8.8818 125.9263 55.7139 41.1003 174.6626 55 L 5.4224 9.3094 123.8828 52.9074 45.5985 175.2888 56 E 4.9370 9.3295 121.7414 54.4870 32.7321 175.0663 57 V 4.4292 8.2000 124.0666 60.9354 34.3383 173.6532 58 D 4.8801 8.5345 128.0826 53.6274 41.7204 177.2413 59 V 3.7359 8.8640 120.9739 64.6205 31.5791 177.8860 60 D 4.5172 8.3542 119.6349 57.2395 40.7826 176.7167 61 D 4.6666 7.7280 117.9044 54.9209 40.8864 177.1561 *63 Q 4.4750 8.0708 121.3281 56.0192 31.0116 177.4636 64 D 4.2763 8.0258 117.6325 56.4832 39.3592 178.7110 65 V 3.3554 7.5969 118.0813 65.1932 31.9315 177.0207 66 A 3.9198 8.0190 120.0897 55.4517 17.8876 179.5008 67 S 4.0071 7.5747 111.4015 61.6370 63.1615 179.5786 68 E 4.1528 7.8652 120.6871 55.8323 29.3459 177.2905 *70 E 4.0929 8.1067 115.1290 55.8716 31.1392 176.5789 71 V 3.5108 7.3257 118.9527 63.0038 31.8798 173.9641 72 K 4.4222 8.4427 124.1020 57.4481 34.5633 175.6584 73 C 4.8849 7.7747 115.4720 58.1888 30.4834 173.3005 74 M 4.8347 8.1368 121.4191 52.4649 35.2827 173.7224 75 P 4.4069 0.0000 0.0000 63.1283 33.2259 174.9114 76 T 4.6633 8.2354 118.7758 61.8396 71.2311 173.1740 77 F 5.0374 8.4412 125.4774 55.8955 41.0431 174.7771 78 Q 5.1859 8.9235 122.8905 53.9939 32.1364 174.5589 79 F 5.1347 8.8585 121.5448 55.6448 42.0604 174.4123 80 F 5.4329 9.5711 121.9259 55.6612 42.9819 174.3369 81 K 4.7970 8.8498 121.0052 54.9034 36.0974 176.6829 82 K 3.7614 9.6371 123.8627 57.9882 31.0975 176.1712 83 G 3.9587 8.0547 103.1690 46.6718 0.0000 172.7815 84 Q 4.6495 7.8119 119.6242 53.6092 30.4498 174.8784 85 K 3.9781 8.8759 123.7492 56.9454 32.0767 176.4968 86 V 4.2785 8.1708 119.7457 60.5864 32.4922 176.0939 87 G 4.1068 7.6119 106.5023 46.2077 0.0000 172.2221 88 E 5.6587 8.9393 119.8884 55.3584 32.6533 174.1224 89 F 5.2452 9.0254 120.7108 56.0688 41.9903 172.7229 90 S 5.0860 9.1071 113.1505 57.1720 65.7630 174.2486 91 G 4.1373 9.0781 108.3192 45.4772 0.0000 174.5799 92 A 4.5039 8.3245 124.6938 50.7674 17.1705 177.3907 93 N 4.8503 8.0597 118.9811 50.9121 40.6170 174.1655 94 K 4.0917 8.3954 128.3865 59.3810 32.2280 178.8976 95 E 3.9610 8.1255 118.2890 59.3942 29.4184 179.1576 96 K 3.6800 8.7131 119.8425 59.2340 32.1578 178.3611 97 L 4.2778 8.1671 120.6572 58.5338 42.0875 178.7120 98 E 4.0302 8.6711 119.0148 59.1792 29.2888 178.5374 99 A 4.0769 8.8309 121.0780 54.8542 18.2614 179.7283 100 T 3.7923 8.0045 114.7950 66.3726 68.7050 177.0033 101 I 3.6094 7.5359 121.7178 64.6503 37.0010 177.8418 102 N 4.5458 7.7905 114.1772 54.7975 38.5905 176.7112 103 E 4.0294 7.5388 119.7062 58.3579 29.8319 177.5749 104 L 4.5006 7.2370 116.5120 54.7497 42.8830 176.8379 105 V 3.7846 7.6335 123.0761 61.7991 31.4336 175.8673 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 8.25 4.62 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 2 V 8.06 4.17 2.20 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 1.13 0.00 0.00 0.91 0.00 0.00 3 K 9.09 4.38 0.00 1.78 1.71 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.40 7.81 4 Q 8.61 4.79 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 5 I 8.42 4.32 1.90 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 1.23 1.02 1.08 0.00 0.00 6 E 8.44 4.72 0.00 1.90 1.89 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 2.19 2.20 0.00 7 S 7.54 4.60 0.00 4.00 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 8 K 8.46 4.02 0.00 1.94 1.86 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.55 7.81 9 T 7.96 3.85 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 1.28 0.00 0.00 10 A 8.37 4.00 1.38 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 11 F 8.19 3.88 0.00 3.24 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 12 Q 8.38 3.90 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 13 E 8.38 3.89 0.00 2.04 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 2.35 0.00 14 A 7.64 3.90 1.17 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 0.00 0.00 15 L 7.37 3.84 0.00 1.65 1.52 0.35 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.18 4.33 0.00 2.76 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 17 A 7.80 4.23 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 18 A 7.87 4.12 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 19 G 7.89 3.72 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 0.00 0.00 0.00 20 D 8.89 4.75 0.00 2.79 2.77 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 21 K 7.78 4.26 0.00 1.93 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.42 7.81 22 L 8.30 4.36 0.00 1.77 1.48 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.84 4.65 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 0.70 0.00 0.00 0.86 0.00 0.00 24 V 8.50 4.48 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 0.86 0.00 0.00 0.71 0.00 0.00 25 V 8.78 4.80 2.20 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 0.36 0.00 0.00 1.09 0.00 0.00 26 D 8.73 4.45 0.00 1.58 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 0.00 0.00 0.00 27 F 8.82 4.75 0.00 2.75 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 28 S 9.00 4.85 0.00 3.72 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.60 4.71 0.08 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 30 T 8.35 3.84 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 1.18 0.00 0.00 31 W 7.40 4.48 0.00 3.58 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 32 C 7.59 4.71 0.00 2.18 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 33 G 8.72 3.72 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.19 2.17 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 35 C 8.10 4.22 0.00 3.00 2.97 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 36 K 7.82 3.91 0.00 1.91 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.56 7.81 37 M 8.02 4.22 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.58 0.00 38 I 7.74 4.33 2.06 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 1.22 0.00 0.00 39 K 7.84 4.01 0.00 1.99 1.99 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.61 7.81 40 P 0.00 4.33 0.00 2.31 2.15 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 41 F 8.32 4.40 0.00 3.10 3.33 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 42 F 8.73 4.11 0.00 3.42 3.35 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 43 H 8.58 3.93 0.00 3.28 3.41 0.00 5.64 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 44 S 8.15 4.00 0.00 4.01 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 45 L 7.61 3.85 0.00 1.24 1.57 0.75 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.60 2.79 0.00 3.59 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 47 E 7.22 3.87 0.00 1.90 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 2.20 2.20 0.00 48 K 7.59 4.02 0.00 1.52 1.67 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.54 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.39 1.07 7.81 49 Y 8.07 4.49 0.00 3.30 3.02 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 0.00 0.00 0.00 50 S 8.27 4.26 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.18 4.66 0.00 2.74 2.89 0.00 0.00 6.76 7.71 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 52 V 7.46 4.55 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 0.35 0.00 0.00 0.92 0.00 0.00 53 I 8.42 4.33 1.79 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 1.21 0.55 0.86 0.00 0.00 54 F 8.88 5.04 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 9.31 5.42 0.00 1.51 1.50 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.33 4.94 0.00 1.88 1.76 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 2.03 2.44 0.00 57 V 8.20 4.43 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 1.03 0.00 0.00 0.63 0.00 0.00 58 D 8.53 4.88 0.00 2.71 2.63 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 59 V 8.86 3.74 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 0.82 0.00 0.00 1.01 0.00 0.00 60 D 8.35 4.52 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.73 4.67 0.00 2.88 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 *63 Q 8.07 4.47 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 64 D 8.03 4.28 0.00 3.04 2.90 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 65 V 7.60 3.36 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 0.18 0.00 0.00 0.72 0.00 0.00 66 A 8.02 3.92 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 67 S 7.57 4.01 0.00 3.98 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 68 E 7.87 4.15 0.00 1.93 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 2.32 2.36 0.00 *70 E 8.11 4.09 0.00 1.90 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 2.16 2.27 0.00 71 V 7.33 3.51 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 0.61 0.00 0.00 0.02 0.00 0.00 72 K 8.44 4.42 0.00 1.71 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.54 7.81 73 C 7.77 4.88 0.00 2.95 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 74 M 8.14 4.83 0.00 1.72 1.72 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 75 P 0.00 4.41 0.00 1.29 1.89 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 76 T 8.24 4.66 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 1.14 0.00 0.00 77 F 8.44 5.04 0.00 2.22 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.92 5.19 0.00 2.40 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 79 F 8.86 5.13 0.00 2.92 2.90 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 80 F 9.57 5.43 0.00 2.91 2.91 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 81 K 8.85 4.80 0.00 1.70 1.67 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 82 K 9.64 3.76 0.00 1.99 1.91 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.38 7.81 83 G 8.05 3.96 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 0.00 0.00 0.00 84 Q 7.81 4.65 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 85 K 8.88 3.98 0.00 1.74 1.75 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.12 7.81 86 V 8.17 4.28 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 0.77 0.00 0.00 0.98 0.00 0.00 87 G 7.61 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 0.00 0.00 0.00 88 E 8.94 5.66 0.00 1.99 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 2.22 2.45 0.00 89 F 9.03 5.25 0.00 3.27 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 90 S 9.11 5.09 0.00 4.07 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 91 G 9.08 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 92 A 8.32 4.50 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 93 N 8.06 4.85 0.00 2.86 2.82 0.00 0.00 7.06 7.08 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 94 K 8.40 4.09 0.00 1.60 1.17 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.37 1.38 7.81 95 E 8.13 3.96 0.00 2.12 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 2.39 2.33 0.00 96 K 8.71 3.68 0.00 1.66 1.55 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.38 1.01 7.81 97 L 8.17 4.28 0.00 2.00 2.08 0.79 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 98 E 8.67 4.03 0.00 2.37 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 0.00 2.47 2.51 0.00 99 A 8.83 4.08 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 0.00 100 T 8.00 3.79 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 0.15 0.00 0.00 101 I 7.54 3.61 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 0.33 0.00 0.00 102 N 7.79 4.55 0.00 2.71 2.88 0.00 0.00 7.06 7.73 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 0.00 103 E 7.54 4.03 0.00 2.07 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 2.26 2.41 0.00 104 L 7.24 4.50 0.00 1.58 1.65 0.61 1.37 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 0.00 105 V 7.63 3.78 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 0.67 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.