NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6630 8.2233 120.4261 54.4190 41.3645 174.2475 3 F 4.8907 8.1608 119.5569 56.7462 40.7251 174.3555 4 R 4.9343 9.1825 119.6900 54.6975 34.8208 173.9224 5 I 4.9552 8.5059 115.2982 59.2614 40.9230 174.4767 6 G 4.3657 9.0226 110.2878 44.5152 0.0000 171.3157 7 Q 5.2521 8.7379 118.2805 54.0861 31.6617 174.7117 8 G 4.3953 9.4010 108.7576 44.7369 0.0000 170.8781 9 Y 5.3718 8.5233 122.3163 55.9102 42.0970 173.5983 10 D 4.5938 8.3977 124.3424 52.9491 45.3876 174.0812 11 V 4.8007 7.6819 121.5524 60.7161 34.5563 173.5997 12 H 5.0157 8.7822 118.5466 54.0833 33.6913 172.8885 13 Q 4.6150 8.6853 119.7548 56.0297 30.1980 175.1225 14 L 5.0257 8.4220 123.3236 53.9931 42.5711 176.6193 15 V 4.6322 9.0742 117.3612 58.5284 35.6836 173.8398 16 P 4.3943 0.0000 0.0000 63.4010 32.0559 176.5428 17 G 3.8988 8.9156 109.7084 46.1478 0.0000 173.4080 18 R 4.6874 7.5564 117.2546 53.0146 33.6777 173.0738 19 P 4.4229 0.0000 0.0000 62.6520 32.7978 175.8539 20 L 4.3421 8.5384 124.3402 54.5021 42.9384 175.2045 21 I 4.9951 8.2493 127.9837 59.5868 40.1161 175.1204 22 I 4.6032 8.2847 128.0377 60.3883 40.2459 176.1008 23 G 3.6806 9.9073 113.3605 46.6722 0.0000 175.1264 24 G 3.9127 8.8310 107.1140 45.0324 0.0000 174.3361 25 V 4.0732 7.4081 120.7818 61.4131 32.4003 174.6856 26 T 4.6700 8.4450 124.5724 63.4061 68.9638 173.9305 27 I 4.3337 8.6074 128.3219 58.4509 39.2848 173.8375 28 P 4.3605 0.0000 0.0000 63.4803 30.1801 175.1454 29 Y 4.7982 8.2997 123.9040 56.2757 41.4963 174.9982 30 E 4.0069 7.6678 122.6819 58.3532 29.9880 176.4096 31 R 4.8999 7.1182 116.3430 54.4259 34.5985 174.1234 32 G 4.4094 9.0778 106.7148 43.8159 0.0000 171.5551 33 L 4.8787 8.4151 119.7144 54.1910 42.5273 176.5544 34 L 4.0157 8.3039 126.0209 54.2902 42.6704 174.3895 35 G 3.6421 8.7657 123.3036 46.4637 0.0000 173.2534 *38 D 4.3742 8.1690 122.3988 50.7786 41.7241 175.5247 39 A 3.4194 7.9513 121.1083 53.3343 15.9976 178.5113 40 D 4.6517 8.1090 122.1532 54.5592 40.5908 175.3675 41 V 4.0784 8.0696 128.7617 63.9319 31.3307 177.9638 42 L 3.8918 7.8048 120.2632 57.9184 42.0668 178.7737 43 L 4.0070 7.9588 118.4689 57.9964 41.4658 179.2398 44 H 4.2699 8.4885 116.1311 58.9353 28.6783 177.7053 45 A 4.0328 8.1120 122.4909 55.1968 18.1906 179.8131 46 I 3.6586 7.9523 118.3483 64.6690 37.0887 178.6224 47 T 3.7013 8.2398 116.9890 66.9098 68.2663 176.3066 48 D 4.5321 8.3827 120.3911 57.3964 40.8010 178.7311 49 A 4.0659 8.0691 121.3030 55.0978 18.3880 179.7931 50 L 3.8465 8.0047 117.4701 57.9804 41.7113 179.6200 51 F 4.5641 8.3164 118.2278 60.5264 38.7618 178.0885 52 G 3.5445 8.6073 105.5338 47.7535 0.0000 175.6284 53 A 4.1137 8.1777 123.5169 53.8907 18.4776 178.6895 54 A 3.0276 7.5730 115.6134 50.6718 19.4130 176.8221 55 A 3.6919 7.4957 119.5412 53.6688 16.6375 177.9700 56 L 4.6449 8.8795 116.9825 55.3518 43.4231 177.3710 57 G 3.9625 9.4400 109.1437 44.4906 0.0000 176.4583 58 D 4.7613 8.1307 125.8973 50.8121 43.0563 175.2104 59 I 3.8450 9.1043 121.0575 64.7326 36.8206 178.7468 60 G 3.8414 8.3021 107.0452 48.7498 0.0000 175.9294 61 R 4.0593 8.5189 121.7759 60.4692 29.5345 179.7959 62 H 4.2735 7.2571 113.3507 58.9916 29.6038 174.7669 63 F 5.0576 8.3168 120.4710 55.9270 40.9076 173.4610 *74 D 4.4158 8.3240 122.8282 54.3117 41.7182 176.1960 75 S 4.1566 8.8421 114.4982 61.1843 62.5139 177.2901 76 R 3.8978 7.9884 120.7855 58.9978 29.9552 178.3969 77 A 3.9515 8.3436 120.6269 55.2614 18.3544 179.7501 78 L 3.4867 7.4788 117.2157 57.4469 41.5146 179.4910 79 L 3.9383 7.8962 120.4724 58.1263 42.0375 179.1261 80 R 3.9176 8.2799 118.4791 59.2580 29.8926 178.7121 81 E 3.9921 8.3403 119.0740 59.2295 29.6058 178.0743 82 C 3.8938 8.7082 118.9950 62.7393 31.5521 175.4445 83 A 3.9138 8.2720 122.4144 55.1840 17.7830 179.5697 84 S 4.0582 8.0462 111.5266 61.8264 62.4276 176.7674 85 R 4.0742 8.4220 120.9638 58.9879 29.8344 179.3057 86 V 3.6939 8.1941 118.3228 66.0112 31.5672 177.9581 87 A 4.3891 8.0594 121.8528 54.7988 17.9812 179.3649 88 Q 3.9851 8.3632 115.8521 59.1236 28.9390 178.4903 89 A 4.4165 7.7641 118.4673 52.3631 18.7597 177.9736 90 G 3.7026 8.3231 106.7362 44.8964 0.0000 172.7340 91 F 5.1288 8.0509 117.6039 55.5986 41.3795 174.6344 92 A 4.8460 9.0593 124.7107 50.2795 21.5927 175.8164 93 I 4.2552 8.3483 122.3103 61.3493 37.6600 175.8018 94 R 4.5822 9.1607 126.6761 57.9296 31.4283 176.2135 95 N 5.1268 7.7124 113.5644 51.9852 40.9064 173.3144 96 V 4.9747 8.7993 119.1275 61.2668 35.1302 173.7204 97 D 5.4758 9.0306 126.2031 52.9270 44.8742 174.0760 98 S 5.0924 8.3069 116.2743 58.0220 67.1334 173.1701 99 T 4.9639 8.9098 116.3369 62.0521 72.7606 173.0786 100 I 4.7179 9.1550 126.9196 59.7131 40.0246 174.7046 101 I 4.8821 9.0210 127.9169 59.6698 39.0993 174.5601 102 A 4.8072 8.8525 129.1213 50.2813 21.9433 176.8434 103 Q 3.9069 8.9962 123.3360 58.5553 29.6561 176.0106 104 A 4.5756 7.4180 117.9882 50.1416 22.0226 173.9696 105 P 4.6819 0.0000 0.0000 60.9754 33.5557 175.5111 106 K 4.0600 8.4726 117.8114 57.0238 32.2662 177.0970 107 L 4.4795 8.4421 122.1060 55.1426 43.0657 178.3978 108 A 3.9592 8.2855 122.3766 54.8222 18.0729 177.4549 109 P 4.4177 0.0000 0.0000 64.4235 31.9100 176.8346 110 H 4.8124 8.2307 116.0363 55.8604 29.6925 176.2441 111 I 3.6700 7.3486 122.1675 64.6865 37.0398 177.7425 112 D 4.3345 8.1662 118.7368 57.3673 40.5767 178.7672 113 A 3.9883 7.9117 120.6510 55.2927 18.4178 179.1519 114 M 4.3642 7.8411 118.4556 58.0210 32.0189 178.8099 115 R 3.8492 8.1819 118.4315 59.5478 30.1835 178.3142 116 A 3.9745 8.0932 120.2903 55.1683 18.3133 179.3225 117 N 4.2434 8.5209 115.3539 56.5320 38.6679 177.7175 118 I 3.6460 8.0702 121.1662 64.4181 37.2647 178.3399 119 A 3.9922 8.3118 121.6490 55.0236 18.1383 179.6445 120 A 3.8888 8.0172 119.2168 55.5880 18.3422 179.7220 121 D 4.3748 8.1615 116.0359 56.6580 40.9228 177.9873 122 L 4.3929 7.8268 116.7306 53.1049 43.0257 175.5706 123 D 4.3671 7.6873 117.3505 55.6611 39.9626 172.8266 124 L 4.9089 8.2367 117.3654 51.8896 45.6627 175.6483 125 P 4.4797 0.0000 0.0000 62.3576 32.0979 177.3822 126 L 3.8987 8.6026 119.9736 57.9064 41.7550 179.0310 127 D 4.3454 8.2227 116.9579 56.8298 41.2273 176.8477 128 R 4.7195 8.4537 116.5244 55.4615 31.9648 175.2086 129 V 4.7907 7.6867 119.1152 61.1201 34.0715 174.4241 130 N 5.0685 9.0361 125.6087 51.8064 42.4618 172.9069 131 V 4.6258 8.3835 124.5528 59.9081 34.4060 174.4923 132 K 4.8178 8.8381 126.0677 54.4625 35.6575 174.8460 133 A 5.2267 8.5509 124.2307 50.2551 21.6861 175.6188 134 K 4.7347 9.0829 120.1452 55.0802 37.2224 176.4884 135 T 5.1278 8.2820 112.9345 59.6903 71.5002 173.8652 136 N 4.8483 8.5915 117.4823 53.3353 39.2947 173.9407 137 E 3.9193 8.5988 112.7558 57.0160 27.7240 175.2716 138 K 4.0552 8.2783 112.3976 57.2870 30.7558 175.3705 139 L 4.4189 8.0220 119.4374 54.0832 43.3374 178.5909 140 G 4.0783 8.5077 112.2646 45.1665 0.0000 173.0282 141 Y 4.3425 8.1893 115.6938 60.2461 37.6938 178.3560 142 L 4.1086 7.1638 120.3459 57.6361 41.6141 179.4960 143 G 3.6726 7.8370 104.2909 47.5462 0.0000 174.9803 144 R 4.3970 7.9658 117.4249 55.4043 30.3982 176.5940 145 G 3.9468 7.9160 106.8176 46.9001 0.0000 174.8690 146 E 4.3538 8.7116 120.9005 57.1554 30.2187 176.0162 147 G 4.6149 7.6526 103.7748 45.4811 0.0000 172.2593 148 I 4.9213 8.5960 119.7400 59.3576 41.0793 174.6010 149 E 5.0089 8.8580 126.8308 54.3973 32.2293 174.3453 150 A 5.2566 8.8071 127.0495 50.2481 22.6656 174.9673 151 Q 5.2022 9.1233 118.9814 54.2575 32.9817 174.5650 152 A 5.1965 9.0737 122.3904 50.5074 23.4095 174.9129 153 A 5.2192 9.2946 121.1833 50.0955 22.7525 175.1602 154 A 5.0245 8.9113 122.8615 50.0019 22.8578 174.4912 155 L 5.0829 8.7272 124.2977 53.4666 44.4727 175.7516 156 V 5.2181 8.9213 118.6031 59.5926 36.5110 174.6933 157 V 4.7900 8.9195 120.6085 60.1373 34.8888 175.5848 158 R 4.4402 8.6389 122.8210 55.6883 29.5024 175.7496 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 2 D 8.22 4.66 0.00 2.78 2.73 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 0.00 0.00 0.00 0.00 3 F 8.16 4.89 0.00 3.10 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 4 R 9.18 4.93 0.00 1.63 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 1.71 1.74 0.00 5 I 8.51 4.96 1.88 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 0.94 0.92 0.00 0.00 6 G 9.02 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 0.00 0.00 0.00 7 Q 8.74 5.25 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 8 G 9.40 4.40 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 0.00 9 Y 8.52 5.37 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.40 4.59 0.00 2.72 2.44 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 11 V 7.68 4.80 1.93 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 0.75 0.00 0.00 1.04 0.00 0.00 12 H 8.78 5.02 0.00 3.04 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.77 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 4.62 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 14 L 8.42 5.03 0.00 1.61 1.73 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.07 4.63 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 1.01 0.00 0.00 16 P 0.00 4.39 0.00 1.93 1.97 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 17 G 8.92 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 18 R 7.56 4.69 0.00 1.81 1.78 0.00 3.29 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 19 P 0.00 4.42 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 8.54 4.34 0.00 2.09 1.84 0.86 0.65 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 21 I 8.25 5.00 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 1.10 0.90 0.00 0.00 22 I 8.28 4.60 1.81 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 1.17 0.72 0.87 0.00 0.00 23 G 9.91 3.68 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 0.00 0.00 0.00 24 G 8.83 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 0.00 0.00 0.00 25 V 7.41 4.07 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 0.94 0.00 0.00 1.04 0.00 0.00 26 T 8.45 4.67 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 27 I 8.61 4.33 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.57 0.77 0.00 0.00 28 P 0.00 4.36 0.00 1.99 2.06 0.00 3.74 0.00 0.00 3.73 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 8.30 4.80 0.00 2.93 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 30 E 7.67 4.01 0.00 1.92 1.83 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 1.64 1.98 0.00 31 R 7.12 4.90 0.00 1.93 2.05 0.00 3.16 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 32 G 9.08 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 33 L 8.42 4.88 0.00 1.55 1.56 0.92 0.99 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 34 L 8.30 4.02 0.00 1.65 1.70 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.77 3.64 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 *38 D 8.17 4.37 0.00 2.77 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 39 A 7.95 3.42 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 40 D 8.11 4.65 0.00 2.79 2.47 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 41 V 8.07 4.08 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 1.08 0.00 0.00 0.91 0.00 0.00 42 L 7.80 3.89 0.00 1.74 1.81 0.90 0.64 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 43 L 7.96 4.01 0.00 1.74 1.70 0.92 0.94 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 44 H 8.49 4.27 0.00 3.45 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 8.11 4.03 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 46 I 7.95 3.66 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 1.51 0.83 0.88 0.00 0.00 47 T 8.24 3.70 4.49 0.00 0.00 0.00 0.00 0.00 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 48 D 8.38 4.53 0.00 2.87 2.81 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 49 A 8.07 4.07 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 8.00 3.85 0.00 1.60 1.53 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.32 4.56 0.00 3.17 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 52 G 8.61 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 53 A 8.18 4.11 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 54 A 7.57 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.50 3.69 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 8.88 4.64 0.00 1.75 1.72 1.17 1.18 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 57 G 9.44 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 58 D 8.13 4.76 0.00 3.11 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 9.10 3.85 1.98 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 1.88 0.80 1.10 0.00 0.00 60 G 8.30 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.52 4.06 0.00 1.88 1.85 0.00 3.26 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 62 H 7.26 4.27 0.00 2.15 1.83 0.00 5.56 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.32 5.06 0.00 2.99 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 *74 D 8.32 4.42 0.00 3.17 2.84 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 0.00 0.00 0.00 75 S 8.84 4.16 0.00 3.86 3.95 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 76 R 7.99 3.90 0.00 1.95 2.03 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 77 A 8.34 3.95 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 78 L 7.48 3.49 0.00 1.59 0.96 0.69 -0.36 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 79 L 7.90 3.94 0.00 1.82 1.78 0.86 0.94 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 80 R 8.28 3.92 0.00 2.01 1.96 0.00 3.17 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 1.82 1.84 0.00 81 E 8.34 3.99 0.00 2.23 2.22 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 2.65 2.72 0.00 82 C 8.71 3.89 0.00 2.80 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 83 A 8.27 3.91 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 84 S 8.05 4.06 0.00 4.04 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 85 R 8.42 4.07 0.00 2.26 2.17 0.00 3.46 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 86 V 8.19 3.69 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 1.06 0.00 0.00 0.92 0.00 0.00 87 A 8.06 4.39 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 88 Q 8.36 3.99 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 89 A 7.76 4.42 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.70 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 0.00 0.00 0.00 91 F 8.05 5.13 0.00 3.18 2.94 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 92 A 9.06 4.85 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 8.35 4.26 1.89 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 0.62 0.92 0.00 0.00 94 R 9.16 4.58 0.00 1.91 2.07 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 7.71 5.13 0.00 2.85 2.88 0.00 0.00 5.58 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 8.80 4.97 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.03 5.48 0.00 2.78 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 8.31 5.09 0.00 3.97 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 99 T 8.91 4.96 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 9.15 4.72 1.85 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 1.20 0.79 0.87 0.00 0.00 101 I 9.02 4.88 1.86 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 1.27 0.97 0.00 0.00 102 A 8.85 4.81 1.10 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 0.00 0.00 103 Q 9.00 3.91 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 104 A 7.42 4.58 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 0.00 105 P 0.00 4.68 0.00 2.20 2.20 0.00 3.36 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 106 K 8.47 4.06 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.42 7.81 107 L 8.44 4.48 0.00 1.68 1.68 0.88 0.73 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 0.00 108 A 8.29 3.96 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 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.42 0.00 1.91 2.09 0.00 3.42 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.04 0.00 110 H 8.23 4.81 0.00 3.31 3.33 0.00 5.83 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 7.35 3.67 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 1.52 0.82 0.94 0.00 0.00 112 D 8.17 4.33 0.00 2.67 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 0.00 113 A 7.91 3.99 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 7.84 4.36 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.58 0.00 115 R 8.18 3.85 0.00 1.86 2.13 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 116 A 8.09 3.97 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 0.00 117 N 8.52 4.24 0.00 2.96 2.86 0.00 0.00 7.06 6.87 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 0.00 118 I 8.07 3.65 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 1.44 0.87 0.90 0.00 0.00 119 A 8.31 3.99 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 8.02 3.89 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 0.00 121 D 8.16 4.37 0.00 2.76 2.73 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 0.00 0.00 0.00 0.00 122 L 7.83 4.39 0.00 1.61 1.68 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.69 4.37 0.00 2.74 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 8.24 4.91 0.00 1.57 1.51 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.48 0.00 2.22 2.18 0.00 3.73 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 8.60 3.90 0.00 1.73 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.22 4.35 0.00 2.61 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 0.00 128 R 8.45 4.72 0.00 1.76 2.00 0.00 3.13 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 129 V 7.69 4.79 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 9.04 5.07 0.00 2.85 2.76 0.00 0.00 6.21 7.75 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 0.00 131 V 8.38 4.63 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 1.12 0.00 0.00 0.92 0.00 0.00 132 K 8.84 4.82 0.00 1.82 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.46 7.81 133 A 8.55 5.23 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 0.00 134 K 9.08 4.73 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 1.51 7.81 135 T 8.28 5.13 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 1.20 0.00 0.00 136 N 8.59 4.85 0.00 2.73 2.69 0.00 0.00 7.07 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 8.60 3.92 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 2.25 2.39 0.00 138 K 8.28 4.06 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 139 L 8.02 4.42 0.00 1.77 1.51 0.90 0.75 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 0.00 140 G 8.51 4.08 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 0.00 141 Y 8.19 4.34 0.00 3.33 3.31 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 0.00 142 L 7.16 4.11 0.00 1.52 1.69 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.84 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 7.97 4.40 0.00 1.87 2.02 0.00 3.30 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 145 G 7.92 3.95 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 0.00 0.00 0.00 146 E 8.71 4.35 0.00 2.30 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 0.00 2.34 2.32 0.00 147 G 7.65 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.60 4.92 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.03 0.93 0.00 0.00 149 E 8.86 5.01 0.00 2.13 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 150 A 8.81 5.26 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 0.00 151 Q 9.12 5.20 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 152 A 9.07 5.20 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 0.00 153 A 9.29 5.22 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 0.00 154 A 8.91 5.02 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 0.00 155 L 8.73 5.08 0.00 1.80 1.71 1.01 0.66 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 0.00 156 V 8.92 5.22 2.25 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 0.68 0.00 0.00 0.82 0.00 0.00 157 V 8.92 4.79 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 0.81 0.00 0.00 0.13 0.00 0.00 158 R 8.64 4.44 0.00 1.49 1.85 0.00 2.21 0.00 0.00 2.77 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.04 0.00 * Residues marked with a * may have inaccurate shift predictions.