NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 D 4.5271 8.3649 120.1830 54.4684 42.0439 174.7995 19 N 4.4328 8.2550 122.6983 52.4055 39.4656 175.0333 20 Q 4.0707 8.2950 120.6544 58.8494 29.4523 178.3909 21 L 3.9213 7.6623 120.9133 58.4238 42.3393 178.6903 22 C 4.1525 7.7764 116.1644 62.7185 28.0054 176.0235 23 F 4.6089 7.9706 119.3507 60.6094 38.4505 177.6088 24 A 4.0756 8.5159 120.8485 54.9194 18.1377 179.4233 25 L 3.9028 8.3354 119.2487 58.4679 42.1988 178.6023 26 Y 4.0351 8.0461 119.2715 60.8204 38.7565 177.8959 27 S 3.9310 8.4562 113.9292 61.2835 62.4770 175.9955 28 A 3.9410 8.3092 123.7865 55.1820 18.1443 179.1457 29 N 4.2011 8.0944 115.6337 56.6125 38.9063 176.8936 30 L 3.6334 7.7266 121.6573 57.9234 42.0986 178.8157 31 A 3.9401 8.0706 120.8340 55.3018 18.3135 179.6076 32 M 4.1140 7.9960 117.3048 58.8741 31.9328 178.6427 33 H 3.9432 8.0104 116.3707 58.7033 28.6175 177.8211 34 K 3.9697 8.0796 120.5636 59.3164 32.0878 178.2503 35 L 4.0208 8.0046 119.8814 57.7405 42.4519 177.6462 36 Y 4.3963 7.9572 113.9928 57.5241 38.2068 177.1660 37 R 4.0599 7.7439 122.1327 59.6755 30.2177 178.5225 38 G 3.5984 8.0375 104.6271 47.7103 0.0000 175.1321 39 L 3.9670 7.8529 122.5665 57.8757 42.2250 178.8141 40 L 3.9375 8.1814 119.0857 57.7190 41.5792 179.7210 41 K 3.9824 8.1686 118.1925 59.5171 31.8228 179.3445 42 A 4.0943 7.8354 119.4029 54.4112 18.3656 178.7045 43 L 4.3279 7.6738 115.2658 53.8319 42.6488 175.8222 44 D 4.4303 7.8656 116.9627 55.4993 39.9854 172.8777 45 L 5.0216 7.9437 115.7375 52.4601 45.7209 177.4269 46 T 4.4722 8.5062 111.9388 60.5953 71.6132 175.4561 47 Y 4.0162 8.5069 121.3014 60.6821 38.8506 176.4111 48 P 4.2458 0.0000 0.0000 65.6609 31.4899 178.6485 49 Q 3.9330 7.8555 116.8952 59.0284 28.5185 178.1552 50 Y 3.9049 7.9786 120.6107 60.4546 38.8856 177.9733 51 L 3.2920 7.3910 120.0090 57.5152 41.6425 179.6683 52 V 3.3542 7.2857 117.5815 66.0974 31.4176 177.9978 53 M 3.2814 7.2282 118.2540 57.9229 31.6415 178.5815 54 L 3.6969 6.9439 119.1374 57.6354 41.7557 179.7974 55 V 3.4284 7.1619 117.5061 66.0401 31.2423 178.1819 56 L 4.1979 7.1832 118.7249 56.9506 41.4676 179.2649 57 W 4.5501 8.0764 118.6384 59.3679 28.9524 177.9912 58 E 4.2016 7.8603 118.8789 58.0861 29.2310 177.1322 59 T 4.3469 7.4193 112.5564 61.0411 70.6701 172.6636 60 D 4.4413 8.6371 128.5607 53.7690 42.8732 175.0918 61 E 3.8892 8.4130 118.4897 57.6120 26.6576 174.5842 62 R 4.6696 7.7104 117.9199 54.0505 33.5224 176.9009 63 S 5.3283 8.6796 117.3833 57.5242 65.3224 175.6883 64 V 3.5166 8.2569 122.2779 66.2429 31.2248 178.3384 65 S 4.0693 7.9517 112.4403 61.2962 62.3367 175.8323 66 E 3.9044 8.1446 121.2332 59.5225 29.2937 179.3242 67 I 3.7154 7.9058 119.9975 64.3225 37.0705 178.7733 68 G 3.5402 8.1089 106.4884 47.8417 0.0000 175.6889 69 E 3.9028 8.1474 121.1053 59.0560 29.2017 179.4566 70 R 3.7104 7.7571 118.0100 58.4154 30.2279 177.5543 71 L 4.2207 7.3366 115.8582 53.5050 42.3736 175.8565 72 Y 3.6990 6.8231 114.0793 59.2421 35.8297 169.5506 73 L 4.8768 7.9068 117.9158 52.6492 45.0952 176.9677 74 D 4.7491 8.2301 121.0128 52.4674 42.2146 177.3480 75 S 4.0542 8.6027 114.0405 61.6064 61.9900 176.1883 76 A 3.9743 7.9501 122.0500 55.6434 18.8188 179.3348 77 T 4.0039 8.8163 114.5580 66.5026 68.5195 176.8769 78 L 4.0252 7.9573 122.3599 57.8718 42.0490 178.8998 79 T 3.8555 8.0986 116.2643 66.3712 68.5503 174.6599 80 P 4.2840 0.0000 0.0000 65.3289 31.3569 178.7473 81 L 3.9782 7.3483 117.3915 57.8873 41.5200 179.5925 82 L 3.9947 8.0093 118.8526 57.5999 41.4946 179.7655 83 K 3.9665 8.0453 118.6458 59.5345 32.0914 179.6521 84 R 3.9920 7.9196 117.9188 59.0863 29.9880 179.0978 85 L 4.0262 7.9648 119.0114 57.7126 41.4769 179.5414 86 Q 4.2429 8.6053 119.4231 58.4178 28.4412 178.5748 87 A 3.9814 7.9512 120.5281 54.8148 18.4964 178.7148 88 A 4.2769 7.8228 116.5081 52.0539 18.6741 177.9930 89 G 3.8899 7.9601 105.4702 46.2960 0.0000 174.9790 90 L 4.4051 7.9784 122.1718 56.2689 42.6089 177.0987 91 V 5.0551 7.6294 110.2222 59.8242 36.6563 174.3808 92 T 4.6835 8.9643 111.9402 59.9058 72.2201 172.6404 93 R 5.0968 8.5010 122.5930 55.0340 32.4916 174.8396 94 T 4.7943 8.8647 124.0454 62.5691 73.2304 174.3258 95 R 4.8611 8.7455 122.2485 54.6416 30.5459 175.8001 *102 Q 4.1543 8.1477 117.0349 56.0942 29.9887 173.6894 103 V 4.6447 7.9613 117.4364 61.2099 34.2055 173.9380 104 I 4.9347 9.1192 128.8360 59.6702 40.0261 174.4244 105 I 4.9794 8.8932 127.5803 59.6130 39.2437 174.6062 106 A 5.1793 8.5771 128.1185 49.7806 22.3951 175.3802 107 L 4.6297 9.3075 121.5631 55.1586 42.7828 177.0699 108 T 4.4129 8.3118 112.7016 60.1957 71.5314 175.1303 109 E 3.9234 8.8017 120.7414 59.8990 29.4327 178.7075 110 T 4.0551 7.9647 115.4650 66.4803 68.3547 176.8266 111 G 3.7235 7.8560 106.9079 47.9078 0.0000 175.7621 112 R 4.2230 8.4556 120.4946 58.9841 29.7530 179.0149 113 A 3.9956 8.2635 120.5839 54.8006 18.2965 179.3797 114 L 3.9727 8.0926 119.2596 58.0938 42.2235 178.8500 115 R 2.5100 7.3936 118.5744 59.1863 29.8314 178.3663 116 S 4.0308 7.4747 114.3780 61.5381 62.6396 176.7757 117 K 4.1360 7.7930 119.4365 58.9668 32.6593 178.2404 118 A 4.3551 7.4471 120.0886 53.7565 19.0646 176.2733 119 G 3.6874 7.7722 101.8121 43.7205 0.0000 172.9457 120 A 4.0267 8.4557 121.4908 53.4531 20.0249 178.8643 121 V 3.2707 8.2049 114.1663 61.4127 29.1319 173.2715 122 P 4.4455 0.0000 0.0000 65.8113 31.6006 178.2053 123 E 4.1789 8.2599 113.6273 58.4703 29.7901 177.9973 124 Q 4.3680 8.0289 118.4191 57.5031 29.7234 177.2458 125 V 4.2084 7.6591 110.9769 61.7829 32.0011 177.0930 126 F 4.7139 7.9133 122.0628 61.5749 39.3649 176.1774 127 C 4.0167 8.1962 117.2035 61.9347 31.6907 175.4180 128 A 4.0111 8.1129 122.2372 55.3556 17.7721 179.4648 129 S 4.2145 8.4314 112.2278 60.7107 63.2179 175.7339 130 A 4.3391 8.0220 122.8341 52.8443 18.5483 179.0305 131 S 4.0728 7.6833 113.8007 61.1438 63.0375 175.5919 132 S 4.5885 7.8283 111.4204 57.5924 63.4916 173.3931 133 L 4.1139 7.8304 125.0603 54.8147 42.4021 176.9663 134 D 4.3710 8.9259 125.6420 57.7447 41.2539 178.1160 135 E 4.0229 8.1367 118.4259 59.1550 29.3938 178.8897 136 L 4.0318 7.8004 120.3709 57.8657 42.1863 178.8793 137 R 3.8754 7.8359 118.4215 59.3005 29.9374 178.1512 138 Q 3.9490 8.1170 119.5288 58.9607 29.0009 177.9046 139 L 3.9595 7.8287 121.0226 58.2608 42.2964 179.1518 140 K 3.9673 8.2848 118.4522 59.5125 31.6785 179.3502 141 Q 4.2858 7.6615 118.9993 58.4691 28.6783 178.2594 142 E 4.1731 7.8189 118.6523 58.8766 29.7317 178.6040 143 L 4.1060 8.1975 120.9804 56.9703 43.5255 176.8575 144 E 4.6091 7.9376 119.9981 54.1859 26.2240 176.7033 145 K 4.6202 7.4153 115.3464 57.5411 39.2505 176.4402 146 L 4.2344 7.5761 123.7487 54.7910 41.6180 176.2948 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 18 D 8.36 4.53 0.00 2.61 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 19 N 8.25 4.43 0.00 2.06 1.59 0.00 0.00 7.10 6.69 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 20 Q 8.30 4.07 0.00 2.19 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 21 L 7.66 3.92 0.00 1.71 1.59 0.91 0.97 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 22 C 7.78 4.15 0.00 2.85 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 23 F 7.97 4.61 0.00 3.23 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 24 A 8.52 4.08 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 25 L 8.34 3.90 0.00 1.89 1.94 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.05 4.04 0.00 3.22 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 27 S 8.46 3.93 0.00 4.00 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 28 A 8.31 3.94 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 29 N 8.09 4.20 0.00 2.75 2.77 0.00 0.00 6.88 6.68 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 30 L 7.73 3.63 0.00 1.26 1.51 0.74 0.79 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 31 A 8.07 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.00 4.11 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.87 0.00 33 H 8.01 3.94 0.00 3.25 3.26 0.00 5.81 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 34 K 8.08 3.97 0.00 1.72 1.97 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 35 L 8.00 4.02 0.00 1.75 1.96 0.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.96 4.40 0.00 3.37 3.03 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 37 R 7.74 4.06 0.00 2.01 1.96 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 38 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.85 3.97 0.00 1.78 1.88 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.18 3.94 0.00 1.91 1.96 1.15 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.17 3.98 0.00 2.13 1.87 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 42 A 7.84 4.09 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 43 L 7.67 4.33 0.00 1.71 1.83 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.87 4.43 0.00 2.82 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 45 L 7.94 5.02 0.00 1.68 1.55 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.51 4.47 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 1.25 0.00 0.00 47 Y 8.51 4.02 0.00 3.01 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 48 P 0.00 4.25 0.00 2.22 2.13 0.00 3.70 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 49 Q 7.86 3.93 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 50 Y 7.98 3.90 0.00 2.90 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 51 L 7.39 3.29 0.00 1.66 1.41 0.89 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.29 3.35 2.01 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 0.85 0.00 0.00 0.86 0.00 0.00 53 M 7.23 3.28 0.00 0.51 1.15 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 54 L 6.94 3.70 0.00 1.30 1.36 -0.47 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.16 3.43 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 0.90 0.00 0.00 0.77 0.00 0.00 56 L 7.18 4.20 0.00 1.45 1.58 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.08 4.55 0.00 3.35 3.18 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 58 E 7.86 4.20 0.00 2.12 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 2.33 2.32 0.00 59 T 7.42 4.35 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 1.18 0.00 0.00 60 D 8.64 4.44 0.00 2.68 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 61 E 8.41 3.89 0.00 2.11 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 0.00 2.21 2.30 0.00 62 R 7.71 4.67 0.00 1.81 1.74 0.00 3.05 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 63 S 8.68 5.33 0.00 4.02 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 64 V 8.26 3.52 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 0.99 0.00 0.00 0.90 0.00 0.00 65 S 7.95 4.07 0.00 3.90 3.81 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 0.00 0.00 0.00 66 E 8.14 3.90 0.00 2.16 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 2.29 2.32 0.00 67 I 7.91 3.72 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.07 0.79 0.00 0.00 68 G 8.11 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.15 3.90 0.00 2.11 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 0.00 2.31 2.40 0.00 70 R 7.76 3.71 0.00 1.84 1.87 0.00 3.19 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 71 L 7.34 4.22 0.00 1.57 1.62 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 6.82 3.70 0.00 3.22 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 73 L 7.91 4.88 0.00 1.57 1.54 0.92 0.90 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 74 D 8.23 4.75 0.00 2.95 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 75 S 8.60 4.05 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 A 7.95 3.97 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 77 T 8.82 4.00 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 1.23 0.00 0.00 78 L 7.96 4.03 0.00 1.89 1.77 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.10 3.86 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 1.20 0.00 0.00 80 P 0.00 4.28 0.00 2.15 2.09 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 81 L 7.35 3.98 0.00 1.82 1.66 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.01 3.99 0.00 1.81 1.68 0.88 0.81 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 83 K 8.05 3.97 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.71 7.81 84 R 7.92 3.99 0.00 1.99 1.97 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 85 L 7.96 4.03 0.00 1.79 1.65 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.61 4.24 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 87 A 7.95 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 88 A 7.82 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.98 4.41 0.00 1.73 1.71 0.94 0.68 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 91 V 7.63 5.06 2.10 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 0.85 0.00 0.00 0.88 0.00 0.00 92 T 8.96 4.68 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 93 R 8.50 5.10 0.00 1.77 1.80 0.00 3.16 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 94 T 8.86 4.79 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 95 R 8.75 4.86 0.00 1.83 1.70 0.00 3.19 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.14 0.00 *102 Q 8.15 4.15 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 103 V 7.96 4.64 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 0.98 0.00 0.00 0.92 0.00 0.00 104 I 9.12 4.93 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.89 0.00 0.00 105 I 8.89 4.98 1.81 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 1.11 1.33 0.84 0.00 0.00 106 A 8.58 5.18 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 0.00 107 L 9.31 4.63 0.00 1.71 1.67 1.17 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.31 4.41 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 1.26 0.00 0.00 109 E 8.80 3.92 0.00 2.07 2.00 0.00 0.00 0.00 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 2.42 0.00 110 T 7.96 4.06 4.43 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 1.25 0.00 0.00 111 G 7.86 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 0.00 112 R 8.46 4.22 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 113 A 8.26 4.00 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 0.00 114 L 8.09 3.97 0.00 2.14 2.25 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.39 2.51 0.00 0.67 1.47 0.00 2.52 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 116 S 7.47 4.03 0.00 4.07 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.79 4.14 0.00 1.95 1.95 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.52 7.81 118 A 7.45 4.36 1.52 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 0.00 0.00 119 G 7.77 3.69 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 0.00 120 A 8.46 4.03 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 0.00 121 V 8.20 3.27 2.10 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 0.75 0.00 0.00 0.96 0.00 0.00 122 P 0.00 4.45 0.00 2.24 2.34 0.00 3.44 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.22 0.00 123 E 8.26 4.18 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 124 Q 8.03 4.37 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 125 V 7.66 4.21 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 0.94 0.00 0.00 1.16 0.00 0.00 126 F 7.91 4.71 0.00 3.20 3.13 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 0.00 0.00 0.00 127 C 8.20 4.02 0.00 3.18 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 0.00 128 A 8.11 4.01 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 0.00 129 S 8.43 4.21 0.00 4.08 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 0.00 130 A 8.02 4.34 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 0.00 131 S 7.68 4.07 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.83 4.59 0.00 3.96 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 0.00 133 L 7.83 4.11 0.00 1.89 1.62 0.90 0.92 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 0.00 134 D 8.93 4.37 0.00 2.82 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 0.00 135 E 8.14 4.02 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 136 L 7.80 4.03 0.00 1.82 1.66 0.99 0.67 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 0.00 137 R 7.84 3.88 0.00 1.89 2.06 0.00 3.40 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 138 Q 8.12 3.95 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 139 L 7.83 3.96 0.00 2.00 1.80 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.28 3.97 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.67 7.81 141 Q 7.66 4.29 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 142 E 7.82 4.17 0.00 1.89 2.00 0.00 0.00 0.00 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 2.48 0.00 143 L 8.20 4.11 0.00 1.95 1.66 0.91 1.00 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 0.00 144 E 7.94 4.61 0.00 2.27 2.10 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 2.52 2.41 0.00 145 K 7.42 4.62 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.59 7.81 146 L 7.58 4.23 0.00 1.60 1.55 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.