NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3397 8.2649 123.5873 51.4759 19.9330 176.4311 3 K 4.0653 8.5050 120.6820 55.0435 32.7225 175.2742 4 K 4.2450 10.2259 127.7240 56.9748 34.2399 175.2414 5 T 5.2600 8.8483 123.8120 61.6991 72.0271 172.4921 6 L 4.8519 8.6700 127.9026 53.1399 44.8761 174.8802 7 I 5.0434 8.9849 126.9707 59.7568 39.6873 174.4448 8 L 5.8053 9.3685 127.8136 52.5756 44.7039 175.3073 9 Y 5.2822 7.9888 118.5984 56.0294 41.5184 172.5491 10 Y 5.1782 8.6862 122.1588 55.9861 41.3942 175.1304 11 S 4.3313 7.6224 119.5615 56.3724 65.0821 173.2008 12 W 4.3299 8.9599 135.0000 59.5659 30.8427 176.8710 13 S 4.4229 8.5328 109.5135 57.7240 63.0020 174.6974 14 G 4.0277 8.2880 111.5478 46.0646 0.0000 176.3898 15 E 3.9610 8.0862 118.3209 59.8445 29.7040 178.5190 16 T 4.0734 7.9040 113.8554 66.3143 69.1703 175.6676 17 K 3.1299 8.2294 122.2944 59.3139 32.4172 179.7832 18 K 4.3756 8.0975 114.5976 56.4432 31.6629 178.6024 *20 A 4.1572 8.0998 124.2469 52.2973 20.1577 179.8437 21 E 3.9198 8.0959 115.3890 59.2324 29.1820 179.4614 22 K 3.8732 7.7854 118.7029 59.5703 32.6863 178.6253 23 I 3.9219 7.3732 120.8732 63.7128 36.5133 177.4948 24 N 4.3295 8.2945 119.6467 56.3680 38.5061 177.0662 25 S 4.2455 7.8958 114.7574 61.2058 63.2535 176.0974 26 E 4.3418 8.0736 121.3119 57.1075 29.3177 175.9757 27 I 4.3266 7.3014 121.6575 59.4318 37.7634 175.7561 28 K 4.0651 8.5213 127.2110 56.2203 31.8246 173.6295 29 D 4.6336 8.9604 121.5642 53.9956 38.2655 174.1667 30 S 4.6110 7.8658 114.7748 58.4524 64.5920 172.5846 31 E 4.6956 8.9937 123.0099 54.6745 31.6536 174.1577 32 L 5.3115 8.5391 127.8533 53.3009 44.6443 175.4528 33 K 4.7170 9.3296 125.3740 54.6147 36.1863 174.8393 34 E 3.8983 8.7420 124.9804 54.6653 31.1753 174.9183 35 V 4.5010 8.1803 126.6958 61.3485 33.1172 174.9659 36 K 5.0465 9.1244 126.3583 54.7818 36.1738 175.2148 37 V 5.1869 8.6511 113.6198 58.3235 35.2614 176.2505 38 S 4.3135 8.4642 116.9167 57.6844 63.7534 173.3720 39 E 4.0890 8.5237 122.7637 58.2298 29.6629 177.3300 40 G 4.0233 8.9871 113.5135 45.7016 0.0000 174.6433 41 T 3.9563 7.6857 116.0003 66.0741 69.5823 175.0039 42 F 5.1680 7.3759 117.6493 57.2577 39.1051 176.1335 43 D 4.7886 9.3007 127.7367 53.9210 44.0113 174.9913 44 A 4.1384 8.7227 126.2140 55.0222 19.1550 177.8992 45 D 4.7586 8.7515 117.0286 54.0459 43.3737 175.5556 *47 Y 4.4918 8.3957 112.1104 58.3069 40.1617 177.4857 48 K 4.0219 8.6398 119.2129 59.6242 31.9641 179.4679 49 T 3.7448 7.7345 116.0180 66.5751 68.2195 176.3839 50 S 3.5165 7.4299 114.3126 61.4684 62.3165 175.8424 51 D 4.2969 8.0256 121.3228 57.3305 40.3966 178.8961 52 I 3.6930 7.8797 120.0888 64.3217 37.0673 178.3176 53 A 4.3293 8.0626 123.1700 54.4962 18.1024 179.3162 54 L 3.7828 8.1376 119.1827 58.5604 42.1411 179.0791 55 D 4.2812 7.8917 118.1527 57.1399 40.2192 178.9695 56 Q 4.1003 7.4297 120.2163 58.4820 28.4733 178.6502 57 I 3.7733 7.4650 119.6112 64.2246 37.1716 177.7672 58 Q 4.3053 8.0543 116.4328 56.0149 28.7778 176.9047 59 G 3.9587 7.7694 108.4637 45.7935 0.0000 174.4297 60 N 4.5576 8.0806 118.3966 54.6612 39.2055 175.6292 61 K 4.6709 7.4263 115.5268 54.0899 36.2749 175.3654 62 D 4.6744 8.4016 120.8127 54.0338 41.4183 176.7839 63 F 4.0160 8.6639 121.1299 56.8055 39.5602 173.6502 64 P 4.4389 0.0000 0.0000 62.2334 32.0398 176.2342 65 E 4.1720 8.4259 119.5851 56.4541 30.0832 176.1904 66 I 4.8885 7.9625 113.8745 59.2490 41.1479 174.3640 67 Q 4.8338 8.8795 122.4431 54.1732 31.4743 174.7289 68 L 4.4727 8.2295 121.8959 54.7476 43.0411 174.4301 69 D 4.4947 8.6535 119.9292 53.9221 41.4305 176.0580 70 N 4.3516 8.5054 119.8281 53.8960 39.3550 174.3789 71 I 4.4539 7.7435 125.2539 59.6302 40.8348 175.5515 72 D 4.5689 8.3285 125.3445 52.5182 40.0222 175.6912 73 Y 4.3723 8.0747 121.9734 61.0268 38.2526 178.2161 74 N 4.9297 8.3601 112.7504 54.1119 38.5994 175.2702 75 N 4.4390 8.2530 117.4319 54.8482 39.3644 174.3329 76 Y 4.7707 7.8306 115.1656 56.9476 40.1421 175.2795 77 D 4.8063 9.0845 122.6331 56.1119 42.7593 176.4028 78 L 5.4102 8.0798 119.7354 53.3795 45.9728 175.0472 79 I 4.9452 9.0766 126.7425 59.5533 40.3918 174.2098 80 L 5.1025 9.0754 127.9284 53.2162 44.0002 175.5122 81 I 4.8577 8.9032 125.3072 59.5302 39.8169 174.7746 82 G 3.6659 8.8540 115.1352 44.8853 0.0000 172.2936 83 S 5.3692 7.9148 116.4978 55.9314 66.1610 171.5234 84 P 4.9858 0.0000 0.0000 62.6579 32.4049 175.5989 85 V 4.2068 8.2928 121.3688 62.2474 32.2811 175.8645 86 W 4.7781 9.6673 129.2682 55.6966 29.3022 175.9218 87 S 3.8193 9.7722 123.5593 59.5238 59.6996 173.9070 88 G 3.9329 8.5192 105.7258 45.6261 0.0000 172.6461 89 Y 4.2420 7.9025 116.7246 54.7835 41.1651 173.6317 90 P 4.9062 0.0000 0.0000 62.0114 32.2589 176.5058 91 A 3.4462 8.4494 123.6436 52.0455 18.8304 179.3147 92 T 4.2012 8.5503 111.5362 64.4862 68.7452 175.0361 93 P 4.2572 0.0000 0.0000 65.3147 31.1075 178.4083 94 I 3.8049 8.0530 119.2373 64.0001 36.9792 178.2751 95 K 3.4460 7.6934 120.1627 59.4996 31.7691 178.9868 96 T 3.6730 7.5471 115.4916 66.3389 68.1654 176.0150 97 L 3.8809 7.6325 120.9672 58.3363 42.2215 178.7283 98 L 3.9985 7.7680 117.4822 57.8592 41.5570 178.9600 99 D 4.4084 7.7317 117.9320 57.0556 41.2351 179.3061 100 Q 4.2253 7.6838 119.3615 55.4741 28.1302 177.3900 *102 K 4.2264 7.9735 119.7732 56.5917 34.6993 175.8902 103 N 4.6676 8.0504 115.2205 53.2254 39.0218 173.5527 104 Y 4.5982 7.8069 119.5388 58.1784 39.2590 175.6618 105 R 4.2622 8.7793 125.7021 55.8652 31.1826 176.8108 106 G 3.8206 5.3800 106.9004 43.6423 0.0000 172.6893 107 E 4.6355 8.4226 118.6992 55.7479 31.3264 176.0834 108 V 5.0551 8.9298 122.7980 61.2117 34.8814 174.1782 109 A 4.7170 8.7685 127.4859 50.0546 23.0624 174.5014 110 S 5.4504 8.3554 113.9431 55.3076 65.4310 172.7069 111 F 6.2624 8.8891 121.6331 54.5204 40.2672 174.4494 112 F 6.0002 8.3428 116.3007 54.3096 41.2663 173.8672 113 T 5.1027 8.2668 109.8139 60.5193 71.9268 172.7524 114 S 4.7712 8.4621 115.9497 57.7601 66.0624 173.5731 115 A 4.5433 8.6261 120.2088 52.3091 18.6738 178.1593 116 G 4.1017 9.0519 107.5325 46.6902 0.0000 174.1325 117 T 4.5254 7.0399 107.8505 60.5674 72.0358 172.7127 118 N 4.2790 8.6371 116.2329 55.2142 36.1588 176.8627 119 H 3.9653 8.1526 117.5214 58.8471 28.8560 177.3058 120 K 3.9724 8.0473 119.6573 59.3299 31.8453 179.0625 121 A 3.7173 7.8250 120.5646 55.0621 18.3537 178.6876 122 Y 3.7928 7.6039 119.1430 60.0589 38.7814 178.5835 123 V 3.6837 7.8650 118.8850 66.2305 31.6894 178.0295 124 S 4.0271 7.9340 114.6774 62.1145 62.6027 176.6227 125 H 3.9764 8.0040 119.0844 58.3044 28.2712 177.6501 126 F 3.5456 8.0413 122.9387 61.2338 38.9852 176.9280 127 N 4.3324 7.9524 114.7135 56.2475 38.7167 176.9629 128 E 4.1120 8.1287 119.8749 59.4141 29.4238 179.5723 129 W 4.3015 8.2003 117.4947 58.9536 29.1424 177.3243 130 A 4.4124 7.5387 119.6318 50.6169 18.5504 175.9822 131 D 4.3829 7.2492 120.1217 56.8139 41.6075 175.8270 132 G 4.1043 9.0271 114.3575 45.6307 0.0000 173.7921 133 L 4.3979 7.5471 118.4376 53.6204 42.9935 176.6282 134 N 4.6107 8.2885 120.2811 52.9511 38.5978 172.3446 135 V 4.6312 8.0855 124.0450 61.7473 31.9415 175.1625 136 I 4.1794 8.7640 122.4643 61.2177 38.7071 175.8442 137 G 4.2983 7.2210 110.1743 46.3593 0.0000 172.1728 138 V 5.2777 8.5180 119.3721 61.3941 34.6524 173.8380 139 A 4.6870 9.2059 127.7024 50.7357 23.4416 175.1041 140 R 2.8323 7.9161 119.6933 56.2919 31.0350 176.3286 141 D 4.0755 8.4175 126.0806 56.1555 40.1210 174.2368 142 D 4.6020 8.1657 125.1779 53.9983 39.6069 178.7582 143 S 4.0076 7.5766 116.5665 61.0702 63.0989 174.6823 144 E 4.1466 7.0459 118.3254 55.1498 30.7599 177.3859 145 V 3.3159 7.0229 120.9783 66.1752 31.1169 177.8113 146 D 4.3071 7.7644 117.9105 57.2760 40.4637 178.8148 147 K 3.9959 7.6500 117.3170 59.3868 32.2362 179.0421 148 W 4.6016 7.9268 118.0721 59.9331 29.0137 178.5023 149 S 4.4002 8.2784 114.3748 60.7754 62.3702 174.7393 150 K 4.2599 7.6668 126.2470 56.7565 32.0952 176.0664 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 A 8.26 4.34 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 3 K 8.51 4.07 0.00 1.93 1.87 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.55 7.81 4 K 10.23 4.25 0.00 1.87 1.77 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.57 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.51 7.81 5 T 8.85 5.26 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 1.33 0.00 0.00 6 L 8.67 4.85 0.00 0.27 0.92 0.69 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.98 5.04 1.97 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 1.29 0.69 1.15 0.00 0.00 8 L 9.37 5.81 0.00 1.58 1.57 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.99 5.28 0.00 3.01 3.12 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 10 Y 8.69 5.18 0.00 2.95 2.89 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 11 S 7.62 4.33 0.00 4.01 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 12 W 8.96 4.33 0.00 3.61 3.47 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 13 S 8.53 4.42 0.00 3.97 3.83 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 14 G 8.29 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 15 E 8.09 3.96 0.00 2.03 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 2.38 2.34 0.00 16 T 7.90 4.07 4.31 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 1.27 0.00 0.00 17 K 8.23 3.13 0.00 1.85 1.94 0.00 1.93 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.29 7.81 18 K 8.10 4.38 0.00 2.02 1.76 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.50 7.81 *20 A 8.10 4.16 1.15 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 0.00 0.00 21 E 8.10 3.92 0.00 2.11 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 2.29 2.26 0.00 22 K 7.79 3.87 0.00 1.77 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.41 7.81 23 I 7.37 3.92 1.62 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.72 0.00 0.00 24 N 8.29 4.33 0.00 2.91 3.00 0.00 0.00 6.80 7.18 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 25 S 7.90 4.25 0.00 3.99 3.88 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 26 E 8.07 4.34 0.00 2.15 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 0.00 2.26 2.43 0.00 27 I 7.30 4.33 1.88 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 1.16 1.18 0.95 0.00 0.00 28 K 8.52 4.07 0.00 1.77 1.62 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.05 7.81 29 D 8.96 4.63 0.00 2.87 2.86 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 0.00 0.00 0.00 30 S 7.87 4.61 0.00 3.97 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 31 E 8.99 4.70 0.00 2.27 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 2.31 2.29 0.00 32 L 8.54 5.31 0.00 1.70 1.58 1.22 0.61 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 33 K 9.33 4.72 0.00 1.62 1.60 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.46 7.81 34 E 8.74 3.90 0.00 1.80 1.70 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 2.01 1.47 0.00 35 V 8.18 4.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 36 K 9.12 5.05 0.00 1.74 1.75 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 37 V 8.65 5.19 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 0.92 0.00 0.00 1.18 0.00 0.00 38 S 8.46 4.31 0.00 4.00 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 39 E 8.52 4.09 0.00 2.23 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.89 0.00 40 G 8.99 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.69 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 42 F 7.38 5.17 0.00 3.39 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 43 D 9.30 4.79 0.00 2.69 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 44 A 8.72 4.14 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 45 D 8.75 4.76 0.00 2.85 2.78 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 0.00 0.00 0.00 0.00 *47 Y 8.40 4.49 0.00 3.23 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 48 K 8.64 4.02 0.00 1.86 1.90 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.68 7.81 49 T 7.73 3.74 3.48 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 -0.27 0.00 0.00 50 S 7.43 3.52 0.00 3.46 3.83 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 51 D 8.03 4.30 0.00 2.86 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 52 I 7.88 3.69 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 1.11 0.00 0.00 53 A 8.06 4.33 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 54 L 8.14 3.78 0.00 1.78 1.79 0.88 1.15 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 55 D 7.89 4.28 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.43 4.10 0.00 1.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 57 I 7.47 3.77 1.63 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.45 0.30 0.00 0.00 58 Q 8.05 4.31 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.97 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 59 G 7.77 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 60 N 8.08 4.56 0.00 2.90 2.85 0.00 0.00 6.64 7.19 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 61 K 7.43 4.67 0.00 1.61 1.55 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.33 7.81 62 D 8.40 4.67 0.00 2.64 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 63 F 8.66 4.02 0.00 2.84 2.86 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 0.00 0.00 0.00 64 P 0.00 4.44 0.00 2.05 1.83 0.00 3.94 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 2.00 2.09 0.00 65 E 8.43 4.17 0.00 1.94 1.90 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 2.29 2.26 0.00 66 I 7.96 4.89 1.87 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 1.33 0.67 0.86 0.00 0.00 67 Q 8.88 4.83 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 68 L 8.23 4.47 0.00 1.59 1.58 1.00 0.83 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 69 D 8.65 4.49 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.51 4.35 0.00 2.65 2.70 0.00 0.00 6.78 7.94 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 71 I 7.74 4.45 1.10 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.61 0.00 0.00 72 D 8.33 4.57 0.00 2.72 2.53 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 73 Y 8.07 4.37 0.00 3.19 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 74 N 8.36 4.93 0.00 2.84 2.95 0.00 0.00 6.84 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 75 N 8.25 4.44 0.00 2.78 2.57 0.00 0.00 7.01 7.07 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 76 Y 7.83 4.77 0.00 3.29 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 77 D 9.08 4.81 0.00 2.81 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 78 L 8.08 5.41 0.00 1.81 1.56 0.93 1.18 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 79 I 9.08 4.95 1.64 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.35 0.78 0.00 0.00 80 L 9.08 5.10 0.00 1.78 1.96 1.11 0.51 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 81 I 8.90 4.86 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 1.03 0.00 0.00 82 G 8.85 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 83 S 7.91 5.37 0.00 3.98 3.86 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 0.00 0.00 0.00 84 P 0.00 4.99 0.00 2.27 2.19 0.00 3.81 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 1.45 1.99 0.00 85 V 8.29 4.21 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 0.88 0.00 0.00 0.56 0.00 0.00 86 W 9.67 4.78 0.00 3.43 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 87 S 9.77 3.82 0.00 4.09 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 88 G 8.52 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.90 4.24 0.00 3.21 2.58 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 90 P 0.00 4.91 0.00 2.17 2.04 0.00 2.35 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.00 91 A 8.45 3.45 0.09 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 92 T 8.55 4.20 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 1.46 0.00 0.00 93 P 0.00 4.26 0.00 1.68 1.88 0.00 3.09 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 0.74 2.09 0.00 94 I 8.05 3.80 2.32 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.11 1.19 0.00 0.00 95 K 7.69 3.45 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.38 0.21 7.81 96 T 7.55 3.67 4.31 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 1.15 0.00 0.00 97 L 7.63 3.88 0.00 1.61 1.86 0.94 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 98 L 7.77 4.00 0.00 1.62 1.57 0.62 1.28 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 99 D 7.73 4.41 0.00 2.70 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 0.00 100 Q 7.68 4.23 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 *102 K 7.97 4.23 0.00 2.11 2.01 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.01 7.81 103 N 8.05 4.67 0.00 2.71 2.92 0.00 0.00 6.93 7.54 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 0.00 104 Y 7.81 4.60 0.00 2.96 2.78 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 0.00 0.00 0.00 0.00 105 R 8.78 4.26 0.00 1.63 1.79 0.00 3.49 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 106 G 5.38 3.82 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 0.00 0.00 0.00 107 E 8.42 4.64 0.00 2.15 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 2.31 2.27 0.00 108 V 8.93 5.06 2.19 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 1.12 0.00 0.00 1.17 0.00 0.00 109 A 8.77 4.72 -0.35 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 0.00 110 S 8.36 5.45 0.00 2.72 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 0.00 111 F 8.89 6.26 0.00 3.22 3.28 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 0.00 112 F 8.34 6.00 0.00 2.55 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 0.00 0.00 0.00 113 T 8.27 5.10 4.29 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 1.33 0.00 0.00 114 S 8.46 4.77 0.00 3.99 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 0.00 115 A 8.63 4.54 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 0.00 116 G 9.05 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 0.00 0.00 0.00 0.00 117 T 7.04 4.53 4.22 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 1.21 0.00 0.00 118 N 8.64 4.28 0.00 2.96 2.95 0.00 0.00 6.85 8.16 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 0.00 119 H 8.15 3.97 0.00 3.20 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.05 3.97 0.00 1.77 1.83 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.53 7.81 121 A 7.82 3.72 1.25 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 0.00 0.00 0.00 122 Y 7.60 3.79 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.86 3.68 2.27 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 1.06 0.00 0.00 1.13 0.00 0.00 124 S 7.93 4.03 0.00 3.71 3.71 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 0.00 0.00 0.00 0.00 125 H 8.00 3.98 0.00 2.47 2.41 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.04 3.55 0.00 2.57 2.89 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 0.00 127 N 7.95 4.33 0.00 2.98 2.87 0.00 0.00 7.13 7.51 0.00 0.00 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 E 8.13 4.11 0.00 2.17 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 2.34 2.46 0.00 129 W 8.20 4.30 0.00 3.00 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 0.00 130 A 7.54 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.25 4.38 0.00 2.80 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 0.00 132 G 9.03 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 0.00 0.00 0.00 0.00 133 L 7.55 4.40 0.00 1.76 1.65 0.90 1.11 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 0.00 134 N 8.29 4.61 0.00 2.81 2.89 0.00 0.00 6.55 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 0.00 135 V 8.09 4.63 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 1.08 0.00 0.00 1.05 0.00 0.00 136 I 8.76 4.18 1.89 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 1.14 0.41 0.91 0.00 0.00 137 G 7.22 4.30 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 0.00 138 V 8.52 5.28 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 1.12 0.00 0.00 0.92 0.00 0.00 139 A 9.21 4.69 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 0.00 140 R 7.92 2.83 0.00 1.31 1.46 0.00 3.35 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.18 0.00 141 D 8.42 4.08 0.00 2.63 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 0.00 0.00 0.00 0.00 142 D 8.17 4.60 0.00 2.71 2.62 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 0.00 143 S 7.58 4.01 0.00 3.85 3.86 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 0.00 0.00 0.00 144 E 7.05 4.15 0.00 1.16 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 0.00 0.00 0.00 2.02 1.96 0.00 145 V 7.02 3.32 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 0.96 0.00 0.00 0.69 0.00 0.00 146 D 7.76 4.31 0.00 2.61 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 0.00 147 K 7.65 4.00 0.00 1.68 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 148 W 7.93 4.60 0.00 3.51 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 0.00 149 S 8.28 4.40 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.67 4.26 0.00 1.76 1.86 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.