NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5010 8.1633 120.6164 55.0827 33.8949 174.4538 2 K 4.4612 8.5693 126.1281 56.3387 33.6241 171.1464 3 V 4.6194 9.4384 117.3680 60.1209 37.3799 173.5634 4 I 4.6502 8.5980 124.6176 59.8662 38.7058 175.8649 5 L 4.7175 8.4379 127.2019 53.5361 43.1812 178.9104 6 L 4.7547 7.8654 120.4938 54.6930 44.1946 179.2354 7 E 3.7580 9.0294 135.0000 55.6160 28.3033 174.2482 8 P 4.3255 0.0000 0.0000 63.1927 31.6573 175.2864 9 L 4.8742 7.8555 118.7943 52.8887 45.7815 175.2376 10 E 4.3310 8.5509 120.2181 56.7141 30.3314 175.1003 11 N 4.2598 8.7159 121.8738 52.1176 36.4362 171.9719 12 L 4.7409 7.1919 120.0175 54.5679 41.5702 171.7332 13 G 4.0309 8.0792 114.6778 46.6152 0.0000 168.8807 14 D 4.2340 8.7807 130.2271 53.6580 38.9705 173.7856 15 V 3.6071 8.2033 117.5834 61.2302 32.2415 177.6196 16 G 4.0682 8.3477 105.5267 46.8990 0.0000 173.9830 17 Q 4.1035 8.2846 121.1031 56.1734 30.5209 175.1203 18 V 4.9198 8.6010 124.1538 60.0187 32.1891 174.7209 19 V 4.5844 8.0393 126.1954 59.5461 34.7609 174.0881 20 D 5.5244 8.4866 119.5383 52.0687 42.3964 174.8811 21 V 4.6849 8.5206 112.0019 59.5282 36.7058 175.2374 22 K 4.1500 8.8676 121.3107 56.2867 32.6962 176.4181 23 P 4.2877 0.0000 0.0000 65.7836 31.3376 178.3855 24 G 4.0117 8.3328 103.9431 48.2928 0.0000 174.6669 25 Y 4.3705 8.5009 121.8261 60.4653 38.8884 177.9089 26 A 3.8609 8.0150 121.0250 55.4077 18.4964 179.7151 27 R 4.1867 8.5007 114.8493 58.3327 30.1773 177.8432 28 N 5.0583 8.0658 113.2702 53.4346 40.6816 173.1654 29 Y 4.6678 8.3034 119.2404 58.5705 41.8531 176.9180 30 L 3.8144 8.1813 118.4091 58.0683 42.4874 180.0064 31 L 3.9288 8.5277 118.4447 57.4232 41.7289 177.9659 32 P 4.2309 0.0000 0.0000 65.3428 31.3423 177.3776 33 R 4.1043 8.4133 115.4486 55.3231 30.1493 176.7426 34 G 3.9045 8.0290 105.8707 46.4893 0.0000 174.7672 35 L 4.3143 7.6057 117.3877 54.3703 42.5171 175.8770 36 A 4.7791 6.9903 119.4759 51.9127 22.9429 175.6712 37 V 4.5062 8.2499 117.8134 61.0473 35.6615 174.3826 38 L 4.4121 8.4582 124.0744 54.1970 42.2867 177.2316 39 A 4.5247 8.0241 125.6821 52.2648 18.1544 178.2084 40 T 3.9332 7.9764 110.4001 62.7998 69.8819 175.0283 41 E 4.0015 8.9876 124.3016 59.1468 31.0248 179.4809 42 S 4.2601 8.2789 113.2712 59.7590 61.3065 175.0337 43 N 4.5480 5.7700 113.8260 54.2155 37.3918 175.7887 44 L 4.2015 8.1721 125.1127 57.9430 42.4084 178.6529 45 K 4.0509 7.9595 118.0358 59.4048 32.9493 178.5378 46 A 4.1095 7.9599 121.4652 53.5951 18.7475 178.3047 47 L 4.2406 7.4934 117.4151 56.8063 43.0414 178.4844 48 E 3.9433 8.5799 118.9087 59.1869 29.1877 178.7638 49 A 3.9891 8.0434 120.2029 55.6158 18.2714 179.7215 50 R 3.9862 7.3508 113.2772 58.3072 30.4322 178.7518 51 I 4.0603 7.7885 120.5159 63.3364 37.6484 177.5970 52 R 4.1968 8.6552 115.7320 56.9629 29.5952 177.1685 53 A 4.3348 7.9581 122.4822 52.1330 18.4898 177.6776 54 Q 4.4210 7.8095 114.4222 56.4853 32.0179 175.4395 55 A 4.4521 7.5368 116.7852 54.9812 19.0792 179.5975 56 K 3.9457 8.0110 117.0590 60.0091 32.6285 179.5284 57 R 4.0631 7.9403 118.7679 58.5752 30.0145 178.1878 58 L 4.0948 7.3109 116.7505 56.9849 41.9635 177.0288 59 A 4.5732 7.9072 119.9379 52.5997 19.0862 177.6073 60 E 4.3936 8.2170 122.7687 59.3700 31.7549 177.4833 61 R 4.3424 7.4164 111.5377 56.5770 30.3400 176.6502 62 K 4.4556 7.9741 118.8383 56.5776 34.2846 176.6789 63 A 4.6447 7.5215 118.6745 52.1319 18.7802 177.1677 64 E 4.5669 7.9139 114.5459 56.5231 31.9993 177.0490 65 A 4.1546 7.9163 119.9811 53.6446 19.3824 177.8046 66 E 4.3644 7.8271 113.5811 57.5351 30.3497 177.5332 67 R 4.5863 7.7615 116.2216 55.9190 30.6079 176.4218 68 L 4.7478 7.7377 115.8707 54.5883 43.8691 176.7836 69 K 4.3333 7.8955 118.4048 58.5855 33.7285 177.0978 70 E 4.4473 8.0180 114.5976 56.9919 29.4798 176.6996 71 I 4.4458 7.7945 111.1868 62.3247 40.3951 176.7145 72 L 4.7221 7.1641 121.7657 53.4458 40.1940 175.8973 73 E 4.7090 7.7349 117.6466 57.1878 34.4744 176.1635 74 N 4.5631 7.6798 115.2395 54.8039 38.0000 175.6719 75 L 4.2185 7.3846 118.3288 54.9943 42.3997 177.4196 76 T 4.6730 8.2379 109.0811 59.6942 70.3491 174.3722 77 L 3.4991 7.5829 118.4098 56.3926 40.2670 173.5027 78 T 5.0986 8.1661 117.7446 61.8046 71.9428 173.5488 79 I 4.6659 8.0168 123.0376 59.2333 40.7710 174.3417 80 P 4.4306 0.0000 0.0000 63.7560 31.6398 175.8090 81 V 3.2229 6.9263 118.3064 59.4123 32.4024 174.7086 82 R 4.3387 9.0052 129.1298 57.2729 30.3727 174.2989 83 A 4.5036 7.4355 129.1887 54.3978 23.1157 175.7841 84 G 4.7195 9.0272 110.0409 48.4457 0.0000 172.6877 85 E 4.1488 8.6111 129.2508 54.7087 25.8169 180.3547 86 T 4.0973 8.4983 120.5727 61.7044 68.8164 172.8605 87 K 3.8569 8.4960 118.6100 56.9907 32.4715 176.4352 88 I 3.6405 8.0570 122.9015 61.3727 37.7088 175.7625 89 Y 4.2888 7.9405 119.9567 60.1628 37.8491 176.5613 90 G 4.4145 7.7312 106.2278 43.0520 0.0000 174.4438 91 S 4.6691 8.3702 117.9682 57.7630 62.7207 176.1633 92 V 5.0499 8.4457 109.9408 60.6594 32.7650 173.1540 93 T 4.0020 7.7854 110.9872 62.5286 67.9473 172.3490 94 A 3.8581 8.0959 120.2396 56.9008 18.5788 179.6468 95 K 4.2378 7.9661 110.8118 56.6752 32.3239 178.0040 96 D 4.6181 8.9446 122.6596 56.3104 41.6068 178.9320 97 I 3.7802 7.1647 118.5680 63.1297 37.1790 176.7491 98 A 4.0293 7.3070 121.9650 54.9620 17.6792 178.1973 99 E 3.9560 8.1881 119.8766 57.0968 30.9491 177.8756 100 A 4.7576 7.2666 121.6866 50.1352 18.8220 176.4636 101 L 4.8672 7.2001 135.0000 56.9329 43.6263 175.8321 102 S 5.0291 8.7771 113.7516 60.3581 62.9888 175.2751 103 R 4.4592 7.7769 117.1186 57.4051 31.8633 177.0600 104 Q 4.2253 8.1719 117.1492 58.5191 30.2915 176.0559 105 H 4.9002 8.7416 110.7601 55.3169 30.9239 174.1240 106 G 4.9404 8.1141 119.0084 47.0366 0.0000 173.4366 107 V 4.3573 6.9430 118.0778 60.7201 34.6282 174.1430 108 T 4.3439 8.5539 123.9515 63.3119 68.5128 174.2813 109 I 4.1456 7.8384 128.1794 60.7493 38.4810 176.3345 110 D 4.8789 7.8958 124.2330 51.4852 40.2724 174.3512 111 P 4.5573 0.0000 0.0000 61.5924 30.8871 176.4890 112 K 4.6124 9.4410 118.3107 57.6999 40.3500 177.5005 113 R 4.4024 8.3262 116.8558 55.3586 28.6543 177.4186 114 L 4.3787 7.7425 115.6524 55.0332 43.4025 176.9805 115 A 3.7925 8.6825 119.9635 52.5871 15.2321 177.6198 116 L 4.7970 7.6676 120.0837 54.6135 46.1651 175.2699 117 E 4.5657 8.2612 124.4116 55.1381 28.7556 177.1160 118 K 3.6803 8.8402 119.1623 55.8238 32.2790 174.2741 119 P 4.3764 0.0000 0.0000 63.8713 33.3144 174.9617 120 I 2.7581 7.8910 114.0916 60.4736 37.9369 176.1836 121 K 4.2073 9.9463 128.4162 56.7692 30.4997 174.0653 122 E 5.1334 7.7982 116.7224 55.2927 32.1185 175.8676 123 L 3.9247 8.5974 126.3461 54.8372 42.4680 175.3140 124 G 3.7516 6.6779 104.4758 43.4627 0.0000 171.9406 125 E 4.2928 7.9118 119.5439 55.1247 30.5484 175.9346 126 Y 4.9987 8.4175 121.0513 56.3897 41.6718 174.4724 127 V 4.3327 8.6693 124.9669 61.8067 32.4986 175.0148 128 L 4.8745 8.3034 131.9789 54.8947 44.2514 174.1099 129 T 4.4106 7.5129 110.3719 64.2680 70.5089 171.0878 130 Y 4.6047 8.7528 120.9762 58.4333 42.2605 173.4418 131 K 3.4761 7.3356 125.0003 54.8485 32.0068 175.0545 132 P 4.4592 0.0000 0.0000 65.5221 32.4831 176.7533 133 H 4.8276 7.1878 113.8283 54.1280 27.4784 174.6035 134 P 4.0856 0.0000 0.0000 62.4482 30.8420 174.8058 135 E 4.7291 8.8285 122.9512 54.4354 31.1474 176.8630 136 V 4.4410 8.3885 123.6063 59.6129 32.4121 173.5542 137 P 4.8657 0.0000 0.0000 61.8744 31.5402 175.2187 138 I 4.2984 8.1180 119.5357 60.0197 39.7764 174.7169 139 Q 4.8355 8.2155 125.5446 55.3246 31.0091 174.0132 140 L 5.7065 9.6884 126.7173 52.2060 45.7606 175.1139 141 K 4.6133 9.4258 126.5827 55.4561 32.5531 175.9231 142 V 4.0742 7.9285 124.0604 61.6894 32.6210 173.9633 143 S 4.8555 8.2948 128.0403 57.7582 64.6756 171.8378 144 V 4.2597 7.6711 110.9376 61.3721 34.0760 174.7633 145 V 3.3287 8.3327 121.1606 63.2926 31.4158 172.4851 *146 A 4.1219 8.2888 123.0456 52.3859 18.7144 176.5392 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 8.16 4.50 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 2 K 8.57 4.46 0.00 1.80 1.71 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.48 7.81 3 V 9.44 4.62 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 0.83 0.00 0.00 0.95 0.00 0.00 4 I 8.60 4.65 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 1.22 0.73 0.90 0.00 0.00 5 L 8.44 4.72 0.00 1.67 1.56 0.96 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.87 4.75 0.00 1.49 0.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.03 3.76 0.00 1.89 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 2.29 2.42 0.00 8 P 0.00 4.33 0.00 2.21 2.19 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 9 L 7.86 4.87 0.00 2.10 1.62 0.97 0.91 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 10 E 8.55 4.33 0.00 1.95 1.86 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 2.27 2.25 0.00 11 N 8.72 4.26 0.00 2.90 2.94 0.00 0.00 7.06 7.78 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 12 L 7.19 4.74 0.00 1.98 1.98 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.08 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 14 D 8.78 4.23 0.00 2.85 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 15 V 8.20 3.61 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 0.83 0.00 0.00 0.92 0.00 0.00 16 G 8.35 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 0.00 0.00 0.00 17 Q 8.28 4.10 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 18 V 8.60 4.92 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 1.13 0.00 0.00 0.92 0.00 0.00 19 V 8.04 4.58 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 0.75 0.00 0.00 0.94 0.00 0.00 20 D 8.49 5.52 0.00 2.83 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 21 V 8.52 4.68 2.31 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 0.72 0.00 0.00 0.87 0.00 0.00 22 K 8.87 4.15 0.00 1.89 1.78 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.50 7.81 23 P 0.00 4.29 0.00 2.18 2.13 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 24 G 8.33 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 25 Y 8.50 4.37 0.00 2.91 3.08 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 26 A 8.01 3.86 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 27 R 8.50 4.19 0.00 1.86 2.04 0.00 3.12 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 28 N 8.07 5.06 0.00 2.96 2.92 0.00 0.00 6.66 8.45 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 29 Y 8.30 4.67 0.00 3.16 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 30 L 8.18 3.81 0.00 1.61 1.58 0.46 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.53 3.93 0.00 1.85 1.68 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.23 0.00 2.03 2.11 0.00 3.74 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 2.14 2.11 0.00 33 R 8.41 4.10 0.00 1.41 1.64 0.00 2.21 0.00 0.00 2.90 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.00 34 G 8.03 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 35 L 7.61 4.31 0.00 1.55 1.62 0.71 0.84 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 36 A 6.99 4.78 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 37 V 8.25 4.51 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 1.02 0.00 0.00 0.91 0.00 0.00 38 L 8.46 4.41 0.00 1.54 1.58 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.02 4.52 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 40 T 7.98 3.93 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 1.20 0.00 0.00 41 E 8.99 4.00 0.00 2.04 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 0.00 2.41 2.33 0.00 42 S 8.28 4.26 0.00 3.81 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 43 N 5.77 4.55 0.00 2.88 2.91 0.00 0.00 7.01 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 44 L 8.17 4.20 0.00 1.90 1.77 0.91 0.75 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 45 K 7.96 4.05 0.00 2.06 2.04 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.88 1.43 7.81 46 A 7.96 4.11 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 47 L 7.49 4.24 0.00 1.69 1.92 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.58 3.94 0.00 2.10 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 2.43 2.47 0.00 49 A 8.04 3.99 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 50 R 7.35 3.99 0.00 2.07 2.00 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 51 I 7.79 4.06 2.00 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 1.66 1.15 0.90 0.00 0.00 52 R 8.66 4.20 0.00 1.97 2.16 0.00 2.75 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 53 A 7.96 4.33 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 54 Q 7.81 4.42 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 55 A 7.54 4.45 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 56 K 8.01 3.95 0.00 2.01 2.07 0.00 1.31 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 1.73 1.47 7.81 57 R 7.94 4.06 0.00 1.83 2.01 0.00 3.27 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 58 L 7.31 4.09 0.00 1.99 1.69 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.91 4.57 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 60 E 8.22 4.39 0.00 2.16 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 2.18 2.27 0.00 61 R 7.42 4.34 0.00 1.93 1.96 0.00 3.32 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 62 K 7.97 4.46 0.00 1.83 1.74 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.33 7.81 63 A 7.52 4.64 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 64 E 7.91 4.57 0.00 1.95 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 2.39 2.16 0.00 65 A 7.92 4.15 1.22 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 66 E 7.83 4.36 0.00 2.14 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 2.27 2.48 0.00 67 R 7.76 4.59 0.00 1.80 1.94 0.00 3.24 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 68 L 7.74 4.75 0.00 1.66 1.70 1.12 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.90 4.33 0.00 2.01 1.91 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.44 7.81 70 E 8.02 4.45 0.00 2.05 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 2.74 2.40 0.00 71 I 7.79 4.45 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.98 0.93 0.00 0.00 72 L 7.16 4.72 0.00 1.77 1.97 0.90 0.91 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 73 E 7.73 4.71 0.00 2.02 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 0.00 2.29 2.47 0.00 74 N 7.68 4.56 0.00 2.78 2.95 0.00 0.00 7.03 7.67 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 75 L 7.38 4.22 0.00 1.77 1.63 0.97 0.50 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 76 T 8.24 4.67 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 1.21 0.00 0.00 77 L 7.58 3.50 0.00 1.77 1.63 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.17 5.10 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 1.20 0.00 0.00 79 I 8.02 4.67 1.93 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 1.53 1.05 0.93 0.00 0.00 80 P 0.00 4.43 0.00 2.18 2.14 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 81 V 6.93 3.22 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 0.94 0.00 0.00 0.95 0.00 0.00 82 R 9.01 4.34 0.00 1.99 1.95 0.00 3.27 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 83 A 7.44 4.50 1.09 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 0.00 0.00 84 G 9.03 4.72 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 85 E 8.61 4.15 0.00 2.02 1.48 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 2.15 2.18 0.00 86 T 8.50 4.10 4.19 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 1.19 0.00 0.00 87 K 8.50 3.86 0.00 2.09 1.87 0.00 1.16 0.00 0.00 2.31 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.37 7.81 88 I 8.06 3.64 1.96 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 1.46 0.80 1.04 0.00 0.00 89 Y 7.94 4.29 0.00 3.10 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 90 G 7.73 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.67 0.00 3.99 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 92 V 8.45 5.05 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 0.67 0.00 0.00 0.95 0.00 0.00 93 T 7.79 4.00 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 1.21 0.00 0.00 94 A 8.10 3.86 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 95 K 7.97 4.24 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 96 D 8.94 4.62 0.00 2.93 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 97 I 7.16 3.78 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 1.21 0.67 0.83 0.00 0.00 98 A 7.31 4.03 1.22 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 99 E 8.19 3.96 0.00 1.95 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 0.00 2.32 2.45 0.00 100 A 7.27 4.76 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 0.00 101 L 7.20 4.87 0.00 1.75 1.80 0.69 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.78 5.03 0.00 3.90 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 0.00 103 R 7.78 4.46 0.00 1.77 1.94 0.00 3.38 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 104 Q 8.17 4.23 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 105 H 8.74 4.90 0.00 3.28 2.99 0.00 5.83 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 0.00 106 G 8.11 4.94 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 0.00 0.00 0.00 107 V 6.94 4.36 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 1.16 0.00 0.00 0.97 0.00 0.00 108 T 8.55 4.34 4.28 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 1.24 0.00 0.00 109 I 7.84 4.15 1.86 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 1.35 0.27 0.88 0.00 0.00 110 D 7.90 4.88 0.00 2.79 2.88 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 0.00 111 P 0.00 4.56 0.00 2.22 2.14 0.00 3.96 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 112 K 9.44 4.61 0.00 1.98 1.72 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.38 7.81 113 R 8.33 4.40 0.00 2.01 2.12 0.00 2.94 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 114 L 7.74 4.38 0.00 1.62 1.61 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.68 3.79 1.48 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 0.00 0.00 116 L 7.67 4.80 0.00 1.49 1.46 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.26 4.57 0.00 2.08 1.59 0.00 0.00 0.00 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 2.23 0.00 118 K 8.84 3.68 0.00 1.70 1.78 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 119 P 0.00 4.38 0.00 2.29 2.04 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 120 I 7.89 2.76 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.39 1.10 0.00 0.00 121 K 9.95 4.21 0.00 2.04 2.15 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.41 7.81 122 E 7.80 5.13 0.00 1.98 1.88 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 2.07 2.06 0.00 123 L 8.60 3.92 0.00 1.60 1.53 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.68 3.75 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 0.00 0.00 0.00 125 E 7.91 4.29 0.00 1.79 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 2.16 2.22 0.00 126 Y 8.42 5.00 0.00 3.02 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 0.00 127 V 8.67 4.33 2.12 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 0.81 0.00 0.00 0.96 0.00 0.00 128 L 8.30 4.87 0.00 1.67 1.53 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.51 4.41 4.27 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 1.22 0.00 0.00 130 Y 8.75 4.60 0.00 2.90 2.92 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 0.00 131 K 7.34 3.48 0.00 1.83 1.60 0.00 0.79 0.00 0.00 1.15 0.00 0.00 2.73 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.07 1.11 7.81 132 P 0.00 4.46 0.00 2.09 2.09 0.00 3.44 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 133 H 7.19 4.83 0.00 3.21 2.89 0.00 5.77 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.09 0.00 2.07 2.12 0.00 3.90 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 2.09 2.18 0.00 135 E 8.83 4.73 0.00 1.85 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 2.36 2.25 0.00 136 V 8.39 4.44 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 0.92 0.00 0.00 1.07 0.00 0.00 137 P 0.00 4.87 0.00 2.13 2.16 0.00 4.11 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 1.97 1.98 0.00 138 I 8.12 4.30 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 1.03 0.00 0.00 139 Q 8.22 4.84 0.00 2.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 140 L 9.69 5.71 0.00 1.77 1.51 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 141 K 9.43 4.61 0.00 1.79 1.66 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.61 7.81 142 V 7.93 4.07 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 0.94 0.00 0.00 0.92 0.00 0.00 143 S 8.29 4.86 0.00 3.91 3.87 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 0.00 144 V 7.67 4.26 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 0.87 0.00 0.00 0.93 0.00 0.00 145 V 8.33 3.33 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 0.73 0.00 0.00 0.94 0.00 0.00 *146 A 8.29 4.12 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 * Residues marked with a * may have inaccurate shift predictions.