NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1289 8.1633 120.7364 55.1911 33.7939 173.7975 2 R 4.9597 9.2439 122.4524 51.7589 33.6017 169.8560 3 V 5.0048 8.7675 122.7875 59.9829 35.6738 174.0680 4 V 4.8314 9.2004 124.8188 61.5458 33.4587 174.1615 5 I 4.9800 8.9916 129.9621 59.8101 39.4260 174.7635 6 Q 5.1543 8.9774 126.1412 53.8026 32.1702 174.8860 7 R 4.4163 8.7016 125.1213 56.3620 31.2705 175.6230 8 V 5.0119 8.9990 119.3892 59.6899 35.0347 176.6850 9 K 4.2869 9.1517 122.8380 58.2107 32.9135 176.9832 10 G 4.2777 7.7768 105.4114 45.6402 0.0000 171.9854 11 A 5.2672 8.3350 120.4177 50.7160 23.3421 175.5217 12 I 4.7640 8.9277 122.3014 59.4143 40.6589 174.1966 13 L 5.0364 9.1475 130.0914 53.5771 43.8249 175.3937 14 S 5.3007 9.5041 121.7406 56.9009 67.4148 173.2346 15 V 4.9147 8.5403 114.2639 59.5609 35.4719 175.0790 16 R 4.7060 8.5585 120.6973 55.5232 30.2188 175.8121 17 K 4.0208 8.9199 125.5350 58.0014 32.8158 176.6032 *26 E 4.4099 7.8240 119.1454 55.7736 32.5709 175.4961 27 L 4.8006 7.9393 118.0890 53.6066 43.4121 176.1557 28 E 4.7522 9.2304 120.1393 54.3634 32.7890 175.2552 29 I 4.2173 8.5389 124.6882 61.6730 37.9436 175.4736 30 I 4.2917 8.6770 126.3608 63.0010 38.5561 176.2139 31 S 4.8353 7.7674 114.5957 57.0669 65.8823 172.6378 32 E 5.3254 8.4714 122.1540 55.2608 32.2316 174.0158 33 I 4.8687 8.8212 114.8228 58.6548 41.6335 175.3596 34 K 4.6138 8.8102 125.6163 55.7460 30.8042 177.9176 35 N 4.5351 8.5540 124.6866 53.6706 39.5722 174.6022 36 G 4.3924 7.0305 108.6090 46.1065 0.0000 171.3384 37 L 5.3330 8.4736 122.6942 52.9417 45.9286 175.4816 38 I 4.5182 8.3976 123.4863 59.8382 39.9970 174.0055 39 C 5.0719 9.0152 127.0627 58.0654 31.0207 173.1955 40 F 5.0141 9.4588 124.9174 56.3625 40.0836 174.9333 41 L 5.1741 9.4462 127.7600 53.2501 44.4399 175.1711 42 G 4.5277 9.9183 115.8387 45.1753 0.0000 172.0529 43 I 5.1375 8.7373 126.5589 60.0217 39.1542 174.9496 44 H 3.5371 10.1072 128.5906 54.7662 30.5166 175.7175 45 K 3.6865 7.7284 127.2408 59.1908 31.9238 177.0869 46 N 4.9982 7.9963 114.1697 52.7892 39.2513 174.2337 47 D 4.6471 7.7857 118.8034 54.3985 41.4771 176.7061 48 T 4.6283 9.5223 114.6891 59.7878 71.0238 175.5098 49 W 4.5253 8.8256 129.9962 60.4820 30.4294 177.4160 50 E 3.9535 8.0662 117.7146 58.8311 28.8342 178.9209 51 D 4.3807 7.9404 119.4332 57.1705 40.8803 178.4798 52 A 3.8502 7.8199 120.7629 55.0680 18.3359 179.4122 53 L 3.4346 7.3704 117.7044 57.8413 41.6201 179.1699 54 Y 3.7902 7.6106 119.3859 60.6107 38.6921 177.9875 55 I 3.6779 7.5504 120.1939 64.6031 37.2916 178.3522 56 I 2.9467 7.4518 120.2997 64.2213 36.9390 178.4669 57 R 3.7374 7.7566 119.4175 59.2257 29.7070 178.7976 58 K 3.8202 7.6916 118.1542 59.6538 31.9117 179.1548 59 C 4.1831 8.0420 115.7631 62.8386 28.1210 175.8091 60 L 4.2549 7.9610 119.4768 56.3600 41.4826 177.3820 61 N 4.8442 7.7626 113.3942 52.8666 40.1956 175.1376 62 L 3.9581 8.1211 120.1441 55.0852 41.8800 176.7927 63 R 4.6230 8.5972 123.0773 55.5252 28.8992 176.2222 64 L 5.1138 8.5909 120.6702 54.1389 43.2706 176.2274 65 W 4.7328 8.7916 119.7582 54.6996 32.4580 175.3720 66 N 4.9064 8.6062 119.3611 52.2741 39.9137 174.5084 67 N 5.1566 8.3222 117.0068 54.6811 39.0743 173.9921 68 D 3.8607 8.9527 113.9855 56.3193 41.1605 170.2717 69 N 4.2778 8.2195 120.2763 53.7148 37.2967 174.3253 70 K 4.2179 7.8270 118.9851 56.2225 33.8869 176.8948 71 T 4.6908 8.1944 115.1736 59.9359 70.6802 174.0380 72 W 4.0200 7.5004 118.7534 57.3686 26.3302 174.1973 73 D 5.0581 8.6980 114.8022 53.7991 43.5017 176.7346 74 K 4.8639 8.1140 117.0251 54.8277 36.6290 175.5778 75 N 5.5595 8.6855 121.0727 50.7523 40.1018 176.2448 76 V 3.4309 8.8276 111.5159 64.7502 31.3895 179.0342 77 K 3.7259 7.6753 118.6514 58.8252 31.7033 178.7695 78 D 4.2769 8.1479 118.2199 57.1650 40.8782 178.2368 79 L 3.8528 6.9674 115.9478 53.2611 42.0617 175.8726 80 N 4.2128 7.8209 116.7103 54.8419 37.7011 173.2799 81 Y 4.9585 8.3029 114.5665 57.1469 40.1498 174.9645 82 E 5.0829 8.8511 118.9850 54.9226 33.0368 175.5096 83 L 5.2092 9.0368 121.5200 52.8958 45.5263 175.2769 84 L 4.9161 8.8645 125.9370 53.4880 44.1029 174.8720 85 I 4.7568 8.3764 128.0847 59.5656 39.0566 175.4299 86 V 4.4492 8.6535 127.6473 60.7465 34.2394 174.5505 87 S 4.8268 8.6877 123.2028 58.7279 63.3751 173.8447 88 Q 4.5189 9.5084 126.2050 53.5331 30.0926 175.7550 89 F 4.5027 8.8440 120.0379 59.4590 38.4669 178.3573 90 T 3.6835 6.7837 111.1827 63.9606 68.5979 176.0638 91 L 3.8836 7.5544 121.0385 57.0031 41.6216 177.5030 92 F 4.7253 8.1513 116.2746 57.0756 39.7589 176.3980 93 G 3.5403 8.4207 107.7803 46.1802 0.0000 173.2474 94 N 4.7484 9.4495 128.1242 52.4593 40.1439 175.4760 95 T 4.6745 8.2106 114.7397 61.2648 69.5611 175.0725 96 K 4.0130 8.1375 123.7058 59.7770 31.6308 177.7972 97 K 4.2376 7.4030 119.8295 57.6035 33.7268 178.7167 98 G 4.0536 7.1176 113.2372 45.2294 0.0000 174.1450 99 N 4.5415 8.8539 120.7234 53.3255 39.3765 174.6182 100 K 4.2471 7.7963 119.7245 54.3532 32.6162 174.3134 101 P 4.2441 0.0000 0.0000 62.2781 31.9502 175.2502 102 D 4.5127 8.7651 123.1431 53.0366 41.8451 176.2591 103 F 5.3475 8.4963 124.6816 57.6292 39.3480 177.5566 104 H 4.3877 8.3022 118.8060 58.3733 28.4895 176.8350 105 L 3.7854 7.7621 119.2386 56.5168 41.8374 176.5159 106 A 4.1628 7.6413 120.9931 50.9988 19.0378 177.5506 107 K 3.8984 8.4260 123.5967 56.2520 33.0950 176.3516 108 E 3.9156 8.9625 127.6244 56.4433 30.3425 175.4213 109 P 4.4298 0.0000 0.0000 66.1989 31.0302 178.3429 110 N 4.3486 8.4729 114.8273 56.5489 38.5019 177.2981 111 E 3.9189 8.1850 118.9686 58.8538 29.6948 178.8182 112 A 4.2007 8.5417 121.5661 54.9682 18.4409 179.2953 113 L 2.6955 7.8264 118.7504 57.9904 42.0518 179.2576 114 I 3.6761 7.1670 119.2514 64.3940 37.0809 178.1966 115 F 4.2066 8.3948 121.3658 61.4675 39.2744 176.2993 116 Y 4.2306 8.9295 119.7526 61.1187 38.6319 178.0664 117 N 4.3309 8.7610 117.6388 56.1929 38.5873 177.5974 118 K 3.9586 8.0975 120.0122 59.4126 32.0340 179.4094 119 I 3.7007 7.7843 120.1290 64.4211 37.0001 178.5433 120 I 3.7651 7.6075 120.5610 64.5040 36.8704 178.1148 121 D 4.4002 8.0367 119.6584 57.5469 40.5868 178.6593 122 E 4.0287 8.4092 119.7245 59.0222 29.5993 178.7076 123 F 4.0944 8.4086 118.1305 60.6601 37.7975 177.7476 124 K 4.0436 8.3692 117.9626 59.2430 31.6022 179.3378 125 K 3.9797 8.0760 118.9018 59.7780 32.3582 178.6670 126 Q 4.2714 8.2375 115.8465 56.2891 28.9822 175.8737 127 Y 4.8823 8.4074 116.9196 57.2588 39.5290 175.4237 128 N 4.6863 5.7700 110.6635 52.2599 43.1706 174.2034 129 D 4.3727 8.7180 125.6367 56.0880 39.6804 176.7561 130 D 4.4318 8.3799 117.9944 55.3763 41.6188 176.3848 131 K 4.3430 7.6493 117.1698 56.6658 33.4901 175.6906 132 I 4.7936 7.5723 121.4295 59.5846 38.9109 175.0175 133 K 4.8200 9.3510 127.4124 54.5461 35.1744 175.4226 134 I 5.1404 8.2069 114.9803 59.4968 41.0419 175.0811 135 G 4.0849 7.9743 109.4650 44.9773 0.0000 174.8764 136 K 4.3766 8.2296 120.8536 53.5370 32.3280 174.7506 137 F 3.7506 8.5966 125.5528 59.6559 39.4972 175.9185 138 G 3.8680 8.2097 114.9456 45.5215 0.0000 172.5960 139 N 5.0080 7.5476 116.4461 50.8284 40.9524 174.1217 140 Y 4.0490 8.6001 122.0894 58.3819 39.3084 175.3222 141 M 4.8448 7.6007 125.7710 53.3978 35.5092 174.3919 142 N 4.7096 8.9270 121.8117 52.1636 40.9174 173.5839 143 I 4.8853 8.2504 127.1041 59.5692 39.7781 175.0119 144 D 4.6504 8.9769 128.8990 53.7240 41.7862 175.8923 145 V 4.6656 8.4184 123.5524 61.4718 34.3282 175.4870 146 T 4.4515 8.9273 125.6176 61.9906 68.6377 173.0389 147 N 4.8366 8.5619 123.5255 53.1225 39.8398 174.2504 148 D 4.3892 9.9136 124.2702 56.6083 42.2033 174.3028 149 G 3.6821 9.0343 117.5780 44.9718 0.0000 171.1391 150 P 4.5388 0.0000 0.0000 60.9350 32.6937 175.7267 151 V 4.4767 8.1486 118.1576 61.5537 34.3579 174.1158 152 T 5.1864 8.6882 124.0457 61.8877 71.5172 173.3484 153 I 4.6053 9.0820 127.5399 59.5248 40.3258 173.9487 154 Y 5.2741 8.6330 126.5586 55.9067 41.4208 174.6752 155 I 4.4254 7.7885 125.8856 59.3779 41.7654 173.5880 156 D 5.1980 8.2654 125.9545 52.4288 43.2293 176.6732 157 T 3.8072 9.1924 117.7591 64.5320 69.0525 176.2085 158 H 4.3106 8.3019 118.6387 58.0801 28.7554 175.6976 159 D 4.6918 7.9176 117.8006 54.2518 41.0041 176.1046 160 I 4.2903 7.1113 120.4585 58.9770 39.5606 174.9743 161 N 4.4183 8.5251 123.0815 53.4206 38.3537 174.5452 162 L 4.3352 8.2726 125.1764 55.0942 42.3848 176.8763 163 N 4.5393 8.0820 121.6437 53.4879 38.4967 174.8528 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 5.13 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.24 4.96 0.00 1.33 1.68 0.00 2.21 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 3 V 8.77 5.00 2.14 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 0.71 0.00 0.00 1.10 0.00 0.00 4 V 9.20 4.83 2.28 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 0.93 0.00 0.00 1.09 0.00 0.00 5 I 8.99 4.98 1.90 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 1.28 0.50 0.94 0.00 0.00 6 Q 8.98 5.15 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 7 R 8.70 4.42 0.00 1.60 1.76 0.00 2.21 0.00 0.00 2.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.00 8 V 9.00 5.01 2.33 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 0.79 0.00 0.00 1.01 0.00 0.00 9 K 9.15 4.29 0.00 1.60 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.41 7.81 10 G 7.78 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 0.00 0.00 0.00 0.00 11 A 8.34 5.27 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 12 I 8.93 4.76 1.87 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 1.11 0.71 0.92 0.00 0.00 13 L 9.15 5.04 0.00 1.64 1.62 0.89 0.76 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 14 S 9.50 5.30 0.00 3.75 3.80 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 15 V 8.54 4.91 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.02 0.00 0.00 16 R 8.56 4.71 0.00 1.84 1.86 0.00 3.08 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 17 K 8.92 4.02 0.00 1.79 1.68 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.37 7.81 *26 E 7.82 4.41 0.00 2.12 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 2.28 2.35 0.00 27 L 7.94 4.80 0.00 1.59 1.60 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.23 4.75 0.00 1.95 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 0.00 2.20 2.27 0.00 29 I 8.54 4.22 1.88 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 1.42 0.55 1.00 0.00 0.00 30 I 8.68 4.29 1.88 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 1.13 0.83 0.94 0.00 0.00 31 S 7.77 4.84 0.00 3.98 3.63 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 32 E 8.47 5.33 0.00 1.95 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 2.17 2.30 0.00 33 I 8.82 4.87 1.84 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 0.64 0.93 0.00 0.00 34 K 8.81 4.61 0.00 1.76 1.28 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 35 N 8.55 4.54 0.00 1.44 1.49 0.00 0.00 6.67 7.60 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 36 G 7.03 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 0.00 0.00 0.00 0.00 37 L 8.47 5.33 0.00 1.63 1.56 1.09 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.40 4.52 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 1.41 0.93 0.00 0.00 39 C 9.02 5.07 0.00 2.73 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 40 F 9.46 5.01 0.00 2.94 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 41 L 9.45 5.17 0.00 1.83 1.77 1.17 1.13 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 42 G 9.92 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.74 5.14 2.11 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.02 0.89 0.00 0.00 44 H 10.11 3.54 0.00 2.84 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.73 3.69 0.00 1.59 1.64 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 46 N 8.00 5.00 0.00 2.76 2.78 0.00 0.00 6.93 8.06 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 47 D 7.79 4.65 0.00 2.44 2.40 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 48 T 9.52 4.63 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 1.26 0.00 0.00 49 W 8.83 4.53 0.00 3.48 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 50 E 8.07 3.95 0.00 2.20 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 0.00 2.44 2.55 0.00 51 D 7.94 4.38 0.00 3.03 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 52 A 7.82 3.85 0.60 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 53 L 7.37 3.43 0.00 1.52 1.55 0.36 1.05 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 54 Y 7.61 3.79 0.00 3.12 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 55 I 7.55 3.68 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.78 1.02 0.00 0.00 56 I 7.45 2.95 1.35 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.29 0.00 0.00 57 R 7.76 3.74 0.00 1.79 1.72 0.00 2.99 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 58 K 7.69 3.82 0.00 1.82 1.73 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.46 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.83 1.23 7.81 59 C 8.04 4.18 0.00 3.29 3.20 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 60 L 7.96 4.25 0.00 1.67 1.63 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.76 4.84 0.00 2.79 2.78 0.00 0.00 7.03 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.12 3.96 0.00 1.81 1.64 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.60 4.62 0.00 2.02 2.02 0.00 3.25 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 64 L 8.59 5.11 0.00 1.02 1.40 0.86 1.07 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 65 W 8.79 4.73 0.00 3.41 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 66 N 8.61 4.91 0.00 2.68 2.80 0.00 0.00 6.32 6.92 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 67 N 8.32 5.16 0.00 2.75 2.72 0.00 0.00 7.34 9.03 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 68 D 8.95 3.86 0.00 2.73 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 0.00 0.00 0.00 0.00 69 N 8.22 4.28 0.00 2.93 2.79 0.00 0.00 6.91 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 70 K 7.83 4.22 0.00 1.80 1.68 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 71 T 8.19 4.69 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 72 W 7.50 4.02 0.00 3.44 3.34 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 73 D 8.70 5.06 0.00 2.78 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 74 K 8.11 4.86 0.00 1.79 1.62 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 75 N 8.69 5.56 0.00 3.05 3.21 0.00 0.00 6.85 8.66 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 76 V 8.83 3.43 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 1.22 0.00 0.00 1.05 0.00 0.00 77 K 7.68 3.73 0.00 1.66 1.53 0.00 1.62 0.00 0.00 1.37 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 1.01 7.81 78 D 8.15 4.28 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 6.97 3.85 0.00 0.27 0.13 0.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.82 4.21 0.00 2.78 2.82 0.00 0.00 7.11 8.39 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 81 Y 8.30 4.96 0.00 2.71 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 82 E 8.85 5.08 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 2.22 2.28 0.00 83 L 9.04 5.21 0.00 1.43 1.32 1.15 0.55 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 84 L 8.86 4.92 0.00 1.66 1.41 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.38 4.76 1.82 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.47 0.94 0.00 0.00 86 V 8.65 4.45 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 0.88 0.00 0.00 0.74 0.00 0.00 87 S 8.69 4.83 0.00 3.85 3.32 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 88 Q 9.51 4.52 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 89 F 8.84 4.50 0.00 3.32 3.30 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 90 T 6.78 3.68 4.06 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 0.00 0.00 0.10 0.00 0.00 91 L 7.55 3.88 0.00 1.70 1.50 0.99 0.71 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 92 F 8.15 4.73 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 93 G 8.42 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 94 N 9.45 4.75 0.00 2.84 2.76 0.00 0.00 6.42 5.83 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 95 T 8.21 4.67 4.18 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 1.18 0.00 0.00 96 K 8.14 4.01 0.00 1.75 1.90 0.00 1.99 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.41 7.81 97 K 7.40 4.24 0.00 1.69 1.69 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.42 7.81 98 G 7.12 4.05 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 0.00 0.00 0.00 99 N 8.85 4.54 0.00 2.71 2.86 0.00 0.00 6.67 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 0.00 100 K 7.80 4.25 0.00 1.70 1.70 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.47 7.81 101 P 0.00 4.24 0.00 1.23 1.67 0.00 3.70 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 2.08 2.01 0.00 102 D 8.77 4.51 0.00 2.61 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 0.00 103 F 8.50 5.35 0.00 3.31 3.29 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 0.00 104 H 8.30 4.39 0.00 3.27 3.63 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.76 3.79 0.00 1.74 1.56 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.64 4.16 1.54 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 0.00 107 K 8.43 3.90 0.00 1.92 1.76 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.32 7.81 108 E 8.96 3.92 0.00 2.05 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 2.37 2.30 0.00 109 P 0.00 4.43 0.00 2.23 2.19 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 110 N 8.47 4.35 0.00 2.99 2.88 0.00 0.00 7.12 7.80 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 0.00 111 E 8.18 3.92 0.00 2.07 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 0.00 2.40 2.45 0.00 112 A 8.54 4.20 1.68 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 0.00 113 L 7.83 2.70 0.00 0.91 1.54 0.39 0.81 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 0.00 114 I 7.17 3.68 2.06 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 1.41 0.38 0.95 0.00 0.00 115 F 8.39 4.21 0.00 3.26 3.36 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 0.00 116 Y 8.93 4.23 0.00 3.32 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 0.00 117 N 8.76 4.33 0.00 2.96 2.86 0.00 0.00 7.09 6.66 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 0.00 118 K 8.10 3.96 0.00 1.95 1.66 0.00 1.53 0.00 0.00 1.12 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.55 7.81 119 I 7.78 3.70 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 1.01 0.00 0.00 120 I 7.61 3.77 1.88 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.55 0.88 0.00 0.00 121 D 8.04 4.40 0.00 2.91 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 0.00 122 E 8.41 4.03 0.00 2.45 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 2.27 2.29 0.00 123 F 8.41 4.09 0.00 3.38 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 0.00 124 K 8.37 4.04 0.00 2.03 1.88 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.67 7.81 125 K 8.08 3.98 0.00 1.96 2.05 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 126 Q 8.24 4.27 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 127 Y 8.41 4.88 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 5.77 4.69 0.00 2.22 1.69 0.00 0.00 7.23 8.37 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 0.00 129 D 8.72 4.37 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.38 4.43 0.00 2.57 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.65 4.34 0.00 1.19 1.61 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.99 0.84 7.81 132 I 7.57 4.79 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.79 0.00 0.00 133 K 9.35 4.82 0.00 1.77 1.66 0.00 1.46 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.38 7.81 134 I 8.21 5.14 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.97 0.00 0.00 135 G 7.97 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 0.00 136 K 8.23 4.38 0.00 1.79 1.70 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 137 F 8.60 3.75 0.00 2.82 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.21 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 0.00 0.00 0.00 139 N 7.55 5.01 0.00 2.97 2.77 0.00 0.00 6.85 7.59 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 0.00 140 Y 8.60 4.05 0.00 2.94 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 7.60 4.84 0.00 1.77 1.74 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 2.41 2.44 0.00 142 N 8.93 4.71 0.00 2.98 2.74 0.00 0.00 6.85 8.39 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 0.00 143 I 8.25 4.89 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.91 0.00 0.00 144 D 8.98 4.65 0.00 2.61 2.61 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 0.00 145 V 8.42 4.67 2.14 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 0.87 0.00 0.00 1.06 0.00 0.00 146 T 8.93 4.45 4.33 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 1.22 0.00 0.00 147 N 8.56 4.84 0.00 2.62 2.77 0.00 0.00 6.94 8.06 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 0.00 148 D 9.91 4.39 0.00 2.78 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 0.00 149 G 9.03 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 0.00 150 P 0.00 4.54 0.00 2.20 2.07 0.00 3.32 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 151 V 8.15 4.48 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 1.21 0.00 0.00 0.97 0.00 0.00 152 T 8.69 5.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 153 I 9.08 4.61 1.88 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 1.11 0.93 0.90 0.00 0.00 154 Y 8.63 5.27 0.00 2.92 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 0.00 155 I 7.79 4.43 1.78 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 1.13 0.60 1.00 0.00 0.00 156 D 8.27 5.20 0.00 2.67 2.52 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 0.00 157 T 9.19 3.81 4.21 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 1.37 0.00 0.00 158 H 8.30 4.31 0.00 3.33 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.92 4.69 0.00 2.81 2.69 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 0.00 160 I 7.11 4.29 1.46 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.33 0.44 0.00 0.00 161 N 8.53 4.42 0.00 2.64 2.72 0.00 0.00 7.07 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 0.00 162 L 8.27 4.34 0.00 1.64 1.67 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 163 N 8.08 4.54 0.00 2.82 2.72 0.00 0.00 6.77 6.98 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 * Residues marked with a * may have inaccurate shift predictions.