NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 R 4.4776 8.2549 119.6652 56.1997 31.7540 173.8123 42 L 4.8080 8.1525 119.5555 51.9599 45.9797 174.8497 43 D 4.6256 8.4993 120.9541 53.8267 42.5859 176.8176 44 K 4.0816 9.1340 125.2909 60.5806 32.2812 179.3391 45 S 4.3584 8.3450 114.5058 61.2161 62.5828 175.9064 46 N 4.3396 7.9688 119.5867 55.5742 38.2105 175.7370 47 F 4.9738 7.8491 116.1828 57.4584 39.2043 175.9046 48 Q 4.6210 8.0446 117.4455 55.3642 29.7378 176.4381 49 Q 4.3819 7.9105 119.0289 54.1588 28.9596 174.2081 50 P 4.1994 0.0000 0.0000 65.5359 31.3904 177.5379 51 Y 4.1641 8.0491 117.9768 61.0899 38.7036 178.0412 52 I 3.3106 7.5729 118.6538 63.9954 38.1519 177.9123 53 T 3.1434 7.7684 116.7397 66.4485 68.2029 176.0566 54 N 4.0791 8.3231 118.4057 56.5406 38.6385 177.6182 55 R 3.4470 7.7796 119.5145 59.3864 30.0379 179.3083 56 T 3.7346 8.1322 115.7482 66.7127 68.4019 176.7686 57 F 3.7525 8.1517 119.6261 60.5145 38.8927 177.6965 58 M 3.7667 8.4991 118.9611 58.0570 31.5280 178.5990 59 L 3.7967 7.7909 120.4004 58.1255 42.3262 178.8350 60 A 4.5450 8.1970 122.3167 54.3555 18.1930 179.6377 61 K 4.0272 8.0261 119.8635 59.2598 32.1103 178.5210 62 E 3.9365 8.2939 117.5386 59.5240 29.7668 178.6478 63 A 3.8237 7.7643 120.7175 55.5269 18.3214 179.9850 64 S 4.1217 8.4303 112.3890 61.1808 62.8594 176.3579 65 L 4.0211 7.7316 121.9806 57.1699 41.3956 178.1879 66 A 4.7111 7.7878 117.8917 50.8666 19.3851 175.9702 67 D 4.7462 8.4718 119.5645 52.7904 41.9132 176.2216 68 N 4.6203 8.5780 123.9543 54.1594 39.6348 175.9903 69 N 4.6432 7.9132 115.6811 53.4484 36.4523 174.5387 70 T 4.2094 8.0118 112.8586 63.2151 69.8149 176.5818 71 D 4.3872 8.0123 120.6613 55.5902 41.1893 176.0113 72 V 4.1980 7.6009 117.8086 60.8895 32.8651 174.0908 73 R 4.7123 8.3093 127.4650 54.3684 31.8704 175.3437 74 L 4.0213 9.5148 126.9059 57.8087 41.8699 178.8033 75 I 4.0078 8.6358 125.3530 59.8832 35.8683 175.1850 76 G 4.2430 7.7312 115.7489 44.1848 0.0000 170.9627 77 E 4.2874 9.0678 114.0607 59.0348 29.5458 174.9423 78 K 4.3142 7.9289 115.6548 57.8649 32.8012 177.4646 79 L 3.8673 7.6164 122.1765 57.1260 41.5902 177.2154 80 F 4.5449 7.9834 115.5766 57.2199 39.8585 173.9019 81 H 4.0861 8.2672 120.4912 59.6803 29.1125 174.5860 82 G 3.8909 9.0097 115.7098 44.8510 0.0000 172.1144 83 V 4.2750 8.6460 120.4579 60.5584 32.8570 175.6623 84 S 4.3123 8.4823 121.9834 58.2689 63.6349 174.8829 85 M 3.9479 8.8589 122.6565 58.8232 31.3149 179.2699 86 S 4.1418 7.9533 113.0672 61.5279 63.5902 175.8318 87 E 4.2515 8.5014 121.1741 57.1177 29.3449 178.7375 88 R 4.0752 7.5526 119.4215 59.7347 30.0910 177.8383 89 C 4.2707 8.1913 117.3456 59.7522 42.8758 174.6030 90 Y 4.1582 8.1167 120.6832 60.7041 38.2678 177.4725 91 L 3.8366 8.0741 121.0302 58.8007 42.2245 178.9091 92 M 4.0308 8.8159 118.6448 58.0750 31.8696 178.5748 93 K 3.7885 8.8147 121.0419 59.7417 32.2562 178.5442 94 Q 3.8053 7.9410 118.2695 58.9133 28.6135 178.7383 95 V 3.5667 7.9046 119.2993 66.3334 31.5404 177.7057 96 L 3.9070 8.3909 119.9453 58.2823 41.7127 178.8505 97 N 4.2254 8.1885 116.1985 56.2230 38.4814 176.8858 98 F 4.1237 8.3007 122.1361 61.8508 39.4199 176.9100 99 T 3.8915 8.6104 115.2607 66.7467 68.2997 176.1852 100 L 3.3012 8.1104 120.5374 57.7447 41.4227 179.7323 101 E 4.1290 8.4153 117.2696 59.7163 29.6476 178.9988 102 E 4.0082 8.4221 118.0134 58.0325 29.6716 177.3251 103 V 4.1196 7.0475 114.5509 64.2927 33.3435 177.4111 104 L 3.9496 8.0918 118.2955 57.6939 41.7228 179.3236 105 F 4.7492 8.3104 117.9849 60.3458 38.6803 176.0583 106 P 4.2859 0.0000 0.0000 65.4759 31.4814 177.1654 107 Q 4.5719 8.5390 116.4870 55.7870 28.5806 177.7715 108 S 4.3182 7.7489 114.8940 60.8295 63.0593 175.0216 109 D 4.4986 8.0955 119.8519 55.4412 40.8742 175.3647 110 R 4.5082 7.6086 114.8942 54.1844 32.3064 174.6532 111 F 3.9763 7.9280 112.6620 58.6574 36.4070 175.8842 112 Q 4.4404 7.9663 117.5908 55.1485 29.7449 175.0647 113 P 4.5423 0.0000 0.0000 64.8616 32.5049 177.8005 114 Y 4.6552 7.3022 118.7274 60.6729 37.5659 177.8484 115 M 4.0896 8.4904 119.3904 58.9784 32.1747 178.2799 116 Q 4.1343 8.3246 115.1787 58.4056 29.0996 177.3502 117 E 4.3972 7.7829 119.5549 58.5778 30.1522 178.3436 118 V 3.9924 8.2414 118.4951 65.4458 31.6682 178.2560 119 V 3.5960 8.2092 118.4258 65.4329 31.4096 176.1001 120 P 4.4313 0.0000 0.0000 65.6363 31.2796 177.8951 121 F 4.2545 7.9619 118.7040 61.8347 39.2617 177.3711 122 L 3.5522 8.5530 118.2696 57.2306 41.3836 179.3257 123 A 4.0157 8.5902 121.7079 55.2374 18.3717 179.5925 124 R 3.8428 8.3667 116.8021 59.7059 30.2201 179.0147 125 L 3.7885 7.4502 118.3641 57.9743 41.3106 179.5267 126 S 4.0678 7.7281 111.9122 61.6425 62.5325 175.8581 127 N 4.4566 7.9455 118.4849 56.4085 38.1990 177.4444 128 R 4.0097 7.9108 118.8778 59.3292 30.3053 178.2960 129 L 4.6270 7.7585 116.7413 54.6093 42.1922 176.6647 130 S 4.0183 8.1999 113.6444 58.8446 62.2931 172.7198 *140 H 4.6073 8.1527 126.4680 56.1961 30.7676 172.7347 141 I 3.9982 7.8830 117.0587 64.4179 36.8367 177.8841 142 Q 4.1129 8.3113 118.5663 59.1286 28.0704 178.8934 143 R 3.9339 8.1677 118.3561 58.7414 29.8799 178.0397 144 N 4.3094 8.3464 116.1504 55.3467 39.3481 177.1488 145 V 3.3782 7.6413 118.9983 66.2980 30.6264 177.6589 146 Q 3.7658 9.4449 118.9351 58.8892 28.8482 177.8274 147 K 4.0907 7.3490 120.3887 59.5082 32.0338 178.3778 148 L 3.7731 7.7910 120.3255 57.9921 42.0198 178.9514 149 K 2.7514 7.9007 118.5620 59.4067 31.9438 179.1429 150 D 4.3739 9.3157 119.0539 57.3954 40.5662 179.1043 151 T 3.7866 7.8740 116.4374 66.6915 68.6489 176.6342 152 V 3.6589 7.9891 120.4000 66.2539 31.3915 178.2523 153 K 4.0711 8.1997 118.0264 59.0634 31.7401 179.1205 154 K 3.8787 8.2657 119.4114 59.6547 32.6021 178.4613 155 L 4.1969 8.5470 118.1573 54.0207 41.7534 179.2565 156 G 3.9160 8.7551 108.9960 46.0578 0.0000 176.2560 157 E 4.0874 8.9706 125.6228 58.6748 29.2837 177.2427 158 S 4.5384 8.1788 113.1632 59.8951 63.3936 176.5747 159 G 4.0302 8.0534 111.9617 47.3173 0.0000 175.7446 160 E 3.9947 8.1311 120.4846 59.1850 29.6137 178.8973 161 I 3.7739 7.5783 119.4827 64.5782 37.0325 178.2440 162 K 4.1533 8.4029 120.1766 58.9583 32.4618 178.0637 163 A 4.1600 8.3585 121.4438 55.6530 18.2767 179.7803 164 I 3.7884 8.0333 118.3595 64.0675 36.9735 178.3428 165 G 3.7561 8.2545 104.9127 45.9702 0.0000 173.7623 166 E 4.8812 7.3801 118.8678 54.9622 30.5832 177.9510 167 L 3.7510 7.7616 122.5813 57.6530 41.3803 178.7084 168 D 3.5798 7.7122 118.7375 56.2946 38.8315 178.7681 169 L 3.9825 7.4791 119.8260 57.2948 41.6975 178.8462 170 L 3.9342 8.7324 121.4938 58.8792 41.9719 178.0184 171 F 4.3619 9.3226 121.5154 61.0342 39.1131 176.4693 172 M 4.1169 9.6401 118.3164 58.8933 32.2028 179.1430 173 S 3.9671 8.8841 113.3643 61.2437 62.4907 175.4958 174 L 3.7919 8.2220 122.7452 58.8926 41.9546 178.3940 175 R 2.5100 7.5265 118.0934 59.2971 29.4928 177.8707 176 N 4.0923 8.1998 117.6170 55.9682 38.7811 176.6756 177 A 4.3066 8.0054 120.8639 52.9746 19.5005 176.4814 178 C 5.1021 8.3206 116.2117 56.3057 41.5073 174.3597 179 I 4.1943 7.6038 117.7540 61.2014 37.2822 174.7325 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 41 R 8.25 4.48 0.00 1.72 1.98 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 42 L 8.15 4.81 0.00 1.75 1.64 1.12 0.76 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 43 D 8.50 4.63 0.00 2.80 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 44 K 9.13 4.08 0.00 2.09 2.14 0.00 1.60 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.57 7.81 45 S 8.35 4.36 0.00 4.10 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 0.00 46 N 7.97 4.34 0.00 2.71 2.25 0.00 0.00 6.91 6.75 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 47 F 7.85 4.97 0.00 3.05 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 48 Q 8.04 4.62 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 49 Q 7.91 4.38 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 50 P 0.00 4.20 0.00 2.17 2.08 0.00 3.64 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 2.13 2.15 0.00 51 Y 8.05 4.16 0.00 3.03 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 52 I 7.57 3.31 1.66 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 1.32 0.27 -0.04 0.00 0.00 53 T 7.77 3.14 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 0.86 0.00 0.00 54 N 8.32 4.08 0.00 2.88 2.69 0.00 0.00 7.10 8.26 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 55 R 7.78 3.45 0.00 1.64 1.88 0.00 2.95 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.89 0.00 56 T 8.13 3.73 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 1.15 0.00 0.00 57 F 8.15 3.75 0.00 2.97 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 58 M 8.50 3.77 0.00 1.11 0.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.25 0.00 59 L 7.79 3.80 0.00 1.74 1.76 0.99 1.09 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 60 A 8.20 4.55 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 61 K 8.03 4.03 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.31 7.81 62 E 8.29 3.94 0.00 2.05 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 2.74 2.91 0.00 63 A 7.76 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.43 4.12 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 65 L 7.73 4.02 0.00 1.88 1.83 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.79 4.71 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 67 D 8.47 4.75 0.00 2.63 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 68 N 8.58 4.62 0.00 2.75 2.85 0.00 0.00 7.21 8.00 0.00 0.00 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 N 7.91 4.64 0.00 2.75 2.80 0.00 0.00 6.98 7.04 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 70 T 8.01 4.21 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 71 D 8.01 4.39 0.00 2.69 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 72 V 7.60 4.20 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 0.79 0.00 0.00 0.92 0.00 0.00 73 R 8.31 4.71 0.00 1.77 1.76 0.00 3.30 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 74 L 9.51 4.02 0.00 1.90 1.66 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.64 4.01 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 1.01 0.00 0.00 76 G 7.73 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 0.00 0.00 0.00 0.00 77 E 9.07 4.29 0.00 1.90 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 2.32 1.88 0.00 78 K 7.93 4.31 0.00 1.80 1.93 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 79 L 7.62 3.87 0.00 1.35 0.87 0.65 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.98 4.54 0.00 3.11 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 81 H 8.27 4.09 0.00 3.13 3.43 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.01 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 83 V 8.65 4.28 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 0.93 0.00 0.00 1.00 0.00 0.00 84 S 8.48 4.31 0.00 4.04 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 85 M 8.86 3.95 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 86 S 7.95 4.14 0.00 4.01 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 87 E 8.50 4.25 0.00 2.16 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 2.30 2.34 0.00 88 R 7.55 4.08 0.00 1.89 2.04 0.00 3.31 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 89 C 8.19 4.27 0.00 3.26 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 90 Y 8.12 4.16 0.00 3.08 3.15 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 91 L 8.07 3.84 0.00 1.89 1.97 0.83 0.93 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 92 M 8.82 4.03 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.00 0.00 93 K 8.81 3.79 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.54 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.48 7.81 94 Q 7.94 3.81 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 95 V 7.90 3.57 2.16 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 1.01 0.00 0.00 0.81 0.00 0.00 96 L 8.39 3.91 0.00 1.79 1.90 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.19 4.23 0.00 2.95 2.86 0.00 0.00 6.62 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 98 F 8.30 4.12 0.00 3.09 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 99 T 8.61 3.89 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 1.13 0.00 0.00 100 L 8.11 3.30 0.00 1.57 0.84 0.85 0.31 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 0.00 101 E 8.42 4.13 0.00 1.90 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 2.50 2.53 0.00 102 E 8.42 4.01 0.00 1.16 1.29 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 2.23 2.39 0.00 103 V 7.05 4.12 2.03 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 1.15 0.00 0.00 0.63 0.00 0.00 104 L 8.09 3.95 0.00 1.22 1.57 0.81 0.88 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 0.00 105 F 8.31 4.75 0.00 3.08 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 0.00 106 P 0.00 4.29 0.00 2.04 2.12 0.00 3.81 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 107 Q 8.54 4.57 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 108 S 7.75 4.32 0.00 4.03 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 0.00 109 D 8.10 4.50 0.00 2.69 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 0.00 110 R 7.61 4.51 0.00 1.39 1.65 0.00 3.10 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 111 F 7.93 3.98 0.00 3.34 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 0.00 112 Q 7.97 4.44 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 113 P 0.00 4.54 0.00 2.20 2.23 0.00 2.23 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 114 Y 7.30 4.66 0.00 3.18 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 0.00 115 M 8.49 4.09 0.00 2.33 2.51 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.95 0.00 116 Q 8.32 4.13 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.83 2.46 0.00 117 E 7.78 4.40 0.00 2.35 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 2.53 2.43 0.00 118 V 8.24 3.99 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 1.03 0.00 0.00 1.02 0.00 0.00 119 V 8.21 3.60 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 1.07 0.00 0.00 1.00 0.00 0.00 120 P 0.00 4.43 0.00 2.33 2.19 0.00 3.88 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 2.43 2.20 0.00 121 F 7.96 4.25 0.00 3.15 3.37 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 0.00 122 L 8.55 3.55 0.00 1.74 1.58 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.59 4.02 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 0.00 124 R 8.37 3.84 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 125 L 7.45 3.79 0.00 1.63 1.57 0.47 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.73 4.07 0.00 4.01 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 0.00 127 N 7.95 4.46 0.00 2.96 2.84 0.00 0.00 7.02 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 0.00 128 R 7.91 4.01 0.00 1.73 2.03 0.00 3.20 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 129 L 7.76 4.63 0.00 1.89 1.73 0.94 0.99 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 0.00 130 S 8.20 4.02 0.00 3.96 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 *140 H 8.15 4.61 0.00 3.13 3.38 0.00 5.92 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.88 4.00 1.95 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 1.68 0.34 0.93 0.00 0.00 142 Q 8.31 4.11 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 143 R 8.17 3.93 0.00 2.02 2.00 0.00 3.21 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 144 N 8.35 4.31 0.00 2.77 2.84 0.00 0.00 6.44 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 0.00 145 V 7.64 3.38 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 0.87 0.00 0.00 0.85 0.00 0.00 146 Q 9.44 3.77 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 147 K 7.35 4.09 0.00 2.00 1.73 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 148 L 7.79 3.77 0.00 1.55 1.59 0.81 0.74 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 0.00 149 K 7.90 2.75 0.00 1.62 1.44 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 0.97 7.81 150 D 9.32 4.37 0.00 2.68 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 0.00 151 T 7.87 3.79 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 0.00 152 V 7.99 3.66 2.54 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 1.20 0.00 0.00 1.18 0.00 0.00 153 K 8.20 4.07 0.00 2.06 1.87 0.00 2.01 0.00 0.00 2.05 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.57 7.81 154 K 8.27 3.88 0.00 1.82 1.98 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.63 7.81 155 L 8.55 4.20 0.00 1.94 1.79 0.93 0.81 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 0.00 156 G 8.76 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 0.00 157 E 8.97 4.09 0.00 2.06 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 2.39 2.38 0.00 158 S 8.18 4.54 0.00 4.15 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 0.00 159 G 8.05 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 0.00 0.00 0.00 160 E 8.13 3.99 0.00 2.21 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 0.00 2.40 2.42 0.00 161 I 7.58 3.77 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.87 1.04 0.00 0.00 162 K 8.40 4.15 0.00 1.82 2.02 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.46 7.81 163 A 8.36 4.16 1.45 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 0.00 0.00 164 I 8.03 3.79 1.78 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.53 0.00 0.00 165 G 8.25 3.76 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 0.00 0.00 0.00 166 E 7.38 4.88 0.00 2.12 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 2.16 2.47 0.00 167 L 7.76 3.75 0.00 1.56 1.69 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 168 D 7.71 3.58 0.00 1.58 1.72 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 0.00 169 L 7.48 3.98 0.00 1.90 1.77 0.98 0.53 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 0.00 170 L 8.73 3.93 0.00 1.74 1.97 0.97 0.87 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 0.00 171 F 9.32 4.36 0.00 3.39 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 0.00 172 M 9.64 4.12 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 3.34 0.00 173 S 8.88 3.97 0.00 4.15 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 0.00 174 L 8.22 3.79 0.00 1.94 1.65 0.95 0.13 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 0.00 175 R 7.53 2.51 0.00 0.67 1.50 0.00 3.06 0.00 0.00 3.07 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 176 N 8.20 4.09 0.00 2.57 2.76 0.00 0.00 7.13 7.36 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 0.00 177 A 8.01 4.31 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 C 8.32 5.10 0.00 2.96 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 0.00 179 I 7.60 4.19 1.85 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 1.37 0.58 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.