NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6798 8.1648 122.9826 52.6096 19.4706 176.1755 2 T 4.1911 7.5064 119.3351 62.3737 70.6151 172.6152 3 K 5.2901 8.8364 123.4335 55.2623 37.5622 174.5817 4 A 5.2151 8.8936 122.3885 51.4596 23.2250 175.4393 5 V 5.0210 8.9652 118.1365 60.8993 35.7625 173.5284 6 C 4.8867 9.0301 120.9137 58.1632 35.6688 172.4912 7 V 4.6414 8.4858 125.8585 61.3232 33.4803 174.0302 8 L 4.9766 8.9065 128.8903 53.7782 43.3787 176.0137 9 K 4.8565 9.2073 121.8748 55.6618 37.2635 175.6625 10 G 4.2490 7.9530 107.3228 46.3662 0.0000 172.2997 11 D 4.6200 8.9786 118.6443 56.1529 41.6410 177.2537 12 G 4.1467 7.6421 109.5824 44.3263 0.0000 171.7262 13 P 4.4959 0.0000 0.0000 63.1669 32.2064 175.6212 14 V 4.5214 7.8041 120.5406 62.7074 32.0903 174.9362 15 Q 5.0644 7.5322 123.3114 56.5854 31.7926 173.2635 16 G 4.1959 7.8296 106.4365 46.3555 0.0000 171.5848 17 I 5.1957 7.9744 119.1459 59.5099 41.0772 175.1688 18 I 4.6237 8.6912 126.8790 59.4240 40.7982 174.3244 19 N 5.1574 8.3736 122.2912 51.2656 42.1448 173.5400 20 F 5.4119 9.0679 119.4588 55.9403 43.5548 173.7725 21 E 5.2139 9.4887 122.4526 55.1259 33.5032 173.7470 22 Q 4.7670 9.1777 127.5142 54.1864 30.6737 175.5668 23 K 4.1518 8.8864 125.9549 58.2569 32.8204 177.5502 24 E 4.7179 7.7795 117.6830 54.2040 33.4300 175.9170 25 S 4.0418 8.8202 118.7043 61.2966 62.4101 175.2030 26 N 4.8396 8.1520 113.7949 52.4210 37.2697 174.5810 27 G 4.0008 8.1571 109.3337 44.1104 0.0000 172.0027 28 P 4.7165 0.0000 0.0000 62.2914 32.6301 176.2751 29 V 4.6606 8.9563 121.7374 61.2904 34.0376 174.4722 30 K 5.1281 9.6453 128.5685 55.2958 34.0555 175.9671 31 V 5.4077 9.1996 124.1762 58.5806 34.2096 174.6695 32 W 5.3751 8.0743 120.7533 54.6436 32.0296 175.2202 33 G 3.8180 7.5811 105.9216 46.0915 0.0000 171.4542 34 S 5.0647 7.7216 113.5727 57.1985 66.9408 173.2384 35 I 5.0940 8.7152 121.2719 59.4370 41.0824 174.7318 36 K 4.7998 9.2524 124.7921 55.6266 36.2758 176.8943 37 G 3.8040 8.7673 105.4863 46.6359 0.0000 173.4643 38 L 4.4202 7.7527 119.9262 53.3264 42.8834 176.5969 39 T 4.3811 8.1421 111.5371 60.8661 69.7111 174.1518 40 E 4.1405 8.5915 124.2886 57.4359 30.4581 175.3108 41 G 3.7190 8.5340 110.6003 43.8002 0.0000 172.1781 42 L 4.7409 8.1707 119.3001 54.7930 42.6721 176.6833 43 H 4.8863 9.2385 119.9454 53.5999 32.9785 173.2398 44 G 4.0793 9.1857 111.1143 46.8840 0.0000 172.2480 45 F 5.5382 9.4261 125.2801 56.5641 42.1670 173.6457 46 R 5.1220 9.0649 124.5199 54.5173 35.3677 174.3240 47 V 4.5491 8.4791 121.1697 62.0224 33.0877 174.8735 48 H 5.0863 9.3758 125.6036 54.1880 30.8085 175.6063 49 E 3.6800 8.8154 122.3013 58.6768 30.0265 177.3603 50 F 5.0515 8.2480 117.9342 55.7118 41.6580 176.1392 51 G 4.7984 8.4969 113.5738 44.2623 0.0000 173.8747 52 D 4.8205 7.9371 117.5897 52.5358 42.8516 174.5868 53 N 5.1734 8.5701 125.0108 53.4445 39.4814 175.3279 54 T 3.9262 8.7500 109.8614 63.3643 69.5567 174.1753 55 A 4.6464 8.3424 124.6605 50.9669 19.0787 175.8041 56 G 4.0260 7.7504 112.3554 45.7001 0.0000 174.0846 57 C 4.5194 8.5293 114.7545 59.2266 34.9792 175.7228 58 T 3.8483 7.4816 117.8499 66.6316 67.8561 176.2008 59 S 4.3929 7.6410 113.5091 60.1813 63.0631 175.8614 60 A 4.7120 7.4599 125.1565 54.3492 18.2606 178.5461 61 G 3.7738 8.2529 105.0883 44.6208 0.0000 170.7625 62 P 4.7962 0.0000 0.0000 62.3367 33.0694 175.4362 63 H 4.5701 8.8046 116.0406 55.0788 29.8554 175.1159 64 F 4.3111 9.2612 123.6921 58.7694 40.2211 174.3581 65 N 4.4793 8.1432 123.4281 52.3079 40.2690 173.0520 66 P 4.6481 0.0000 0.0000 61.6803 32.9336 175.9135 67 L 3.3078 8.4835 121.8586 57.0798 42.2912 176.0215 *79 R 4.1590 8.2071 110.2840 56.1889 31.5781 175.2091 80 H 4.7871 8.4216 115.0528 53.9092 29.9998 176.3736 81 V 3.4040 8.6901 124.7966 66.2049 31.2055 177.4518 82 G 3.7634 8.3446 107.1218 46.9259 0.0000 172.7159 83 D 4.6832 8.3439 121.1625 54.4176 40.2771 175.9435 84 L 4.6312 8.5424 123.5900 54.3152 43.2824 177.4763 85 G 4.1472 8.3557 106.6567 44.7515 0.0000 174.1320 86 N 5.7176 8.4963 120.8820 51.3964 42.7340 173.0963 87 V 4.4373 8.7842 113.1339 59.8814 35.8252 174.8759 88 T 5.0188 8.3244 119.1124 61.8266 71.3886 172.8249 89 A 4.9848 9.0159 129.2179 50.4148 21.1811 177.3094 90 D 4.6982 9.0188 123.3294 52.2206 41.0476 177.0557 91 K 3.9533 8.5320 117.2295 59.8845 32.4411 177.1660 92 D 4.5359 8.8932 118.2726 54.0631 41.0671 177.1161 93 G 4.3694 8.5084 108.2978 44.7146 0.0000 172.7472 94 V 4.8336 7.7312 119.1409 60.7362 34.1823 174.1189 95 A 5.3947 9.1576 129.3828 49.3821 21.3580 174.4039 96 D 4.8858 8.7035 123.0169 53.2199 42.6443 175.5324 97 V 4.3315 8.8282 126.3774 61.2778 34.1055 174.7548 98 S 4.9331 8.3629 122.0266 57.9265 64.4035 173.0264 99 I 4.8882 9.1234 127.7825 59.7367 42.1842 174.1306 100 E 5.0718 8.7048 123.6757 54.8345 32.3824 173.9474 101 D 5.0257 9.3632 126.4265 52.2920 44.8104 175.7513 102 S 4.7893 8.8338 118.1492 58.2278 63.6664 174.6126 103 V 4.0711 9.6009 122.5394 65.0594 31.9873 176.7335 104 I 4.1225 7.7946 110.9173 61.0319 38.3366 174.4835 105 S 4.6622 8.5089 114.1080 57.4223 65.4452 174.1615 106 L 4.6646 9.1647 123.3777 54.2544 41.5003 176.2880 107 S 4.4115 7.8430 111.7677 58.4695 66.2309 175.5778 108 G 3.8651 8.4592 108.8153 44.8605 0.0000 173.5988 109 D 4.4480 8.7505 117.2711 57.2880 41.1529 177.0475 110 H 5.0717 8.1033 114.4431 55.3908 29.0480 173.7547 111 C 4.3727 8.0622 121.2774 60.1881 31.5641 173.4205 112 I 3.7892 8.3922 119.3930 60.3220 37.6081 175.1975 113 I 3.8894 7.2078 122.5145 62.6689 37.7628 176.3165 114 G 3.8311 9.2960 113.9402 44.9875 0.0000 172.8706 115 R 4.8806 7.3211 118.4341 54.8783 33.6814 174.6681 116 T 5.0132 7.9816 116.0086 62.0313 71.4151 173.7215 117 L 4.9204 8.5736 127.6334 53.6253 44.2967 175.2997 118 V 4.9776 9.2831 125.7880 60.9984 35.4845 174.1308 119 V 4.9902 8.4997 126.5278 60.4696 33.4636 174.7364 120 H 5.1368 9.4960 123.0768 54.4974 29.9546 175.1231 121 E 4.1761 9.4555 122.7357 59.1859 29.8487 177.2816 122 K 4.7454 7.9815 117.1339 54.1141 35.2426 176.0920 123 A 4.4385 8.4460 124.5151 52.3130 19.0235 176.5145 124 D 4.7357 9.9165 120.7346 52.5777 42.6112 175.9792 125 D 4.3669 8.8096 126.1696 56.9835 41.1235 178.0801 126 L 3.7421 9.1030 115.0962 54.5891 39.7087 175.0766 127 G 3.9871 8.4885 105.6260 46.0441 0.0000 174.3346 128 K 4.6569 7.6736 118.0329 55.8298 32.9357 177.7744 129 G 3.9836 7.7392 107.8197 46.1511 0.0000 175.1694 130 G 3.9974 8.4670 107.5604 44.7727 0.0000 172.9412 131 N 4.9099 7.4390 117.5711 51.9053 40.5546 175.3663 132 E 3.6295 8.3836 123.2594 58.7021 31.1900 177.8550 *140 A 4.1584 7.6138 121.9028 54.1646 19.0283 176.6723 141 G 4.0456 9.0885 102.7464 46.1431 0.0000 172.0602 142 S 4.8610 8.5999 113.3266 56.2408 66.5249 173.6280 143 R 4.4263 8.3785 119.8699 55.5873 29.6699 176.6341 144 L 4.2645 8.8354 125.8009 57.6043 42.9038 177.1736 145 A 4.9173 7.7158 117.6105 51.6322 22.7583 173.8449 146 C 5.2814 8.5044 113.6379 56.1127 47.0147 172.6733 147 G 4.8049 8.0338 103.3522 46.2420 0.0000 172.8141 148 V 4.3858 8.3275 121.2124 62.2559 32.8997 175.6975 149 I 4.1960 8.8506 129.0166 60.7731 37.8518 175.3145 150 G 4.4002 8.7447 114.9026 43.9152 0.0000 172.0419 151 I 4.2505 8.2887 121.5968 61.2788 37.4879 175.6784 152 A 4.7588 8.3044 128.5574 49.7905 21.9738 176.3670 153 Q 4.0755 8.4611 118.6709 56.4695 29.2284 175.7623 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 A 8.16 4.68 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.51 4.19 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 3 K 8.84 5.29 0.00 1.71 1.73 0.00 1.76 0.00 0.00 2.05 0.00 0.00 2.98 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.53 1.49 7.81 4 A 8.89 5.22 1.13 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 0.00 0.00 5 V 8.97 5.02 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 0.63 0.00 0.00 0.98 0.00 0.00 6 C 9.03 4.89 0.00 3.14 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 7 V 8.49 4.64 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.91 4.98 0.00 1.79 1.58 0.95 0.35 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 9 K 9.21 4.86 0.00 1.64 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.95 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 0.00 0.00 0.00 0.00 11 D 8.98 4.62 0.00 2.68 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 12 G 7.64 4.15 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 0.00 13 P 0.00 4.50 0.00 2.22 2.29 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.94 0.00 14 V 7.80 4.52 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 0.54 0.00 0.00 0.93 0.00 0.00 15 Q 7.53 5.06 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.49 2.17 0.00 16 G 7.83 4.20 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 0.00 17 I 7.97 5.20 1.82 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 1.21 1.39 0.83 0.00 0.00 18 I 8.69 4.62 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.39 0.00 0.00 19 N 8.37 5.16 0.00 1.44 1.50 0.00 0.00 6.71 8.29 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 20 F 9.07 5.41 0.00 2.86 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 21 E 9.49 5.21 0.00 2.48 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 2.33 2.41 0.00 22 Q 9.18 4.77 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 23 K 8.89 4.15 0.00 1.81 1.89 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.50 7.81 24 E 7.78 4.72 0.00 1.98 1.78 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 2.30 2.29 0.00 25 S 8.82 4.04 0.00 3.83 3.94 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 26 N 8.15 4.84 0.00 2.85 2.86 0.00 0.00 5.92 7.00 0.00 0.00 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 G 8.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.72 0.00 2.00 2.04 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 8.96 4.66 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 1.24 0.00 0.00 1.10 0.00 0.00 30 K 9.65 5.13 0.00 1.97 1.92 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.44 7.81 31 V 9.20 5.41 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 0.95 0.00 0.00 0.88 0.00 0.00 32 W 8.07 5.38 0.00 3.51 3.27 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 33 G 7.58 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 34 S 7.72 5.06 0.00 3.96 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 35 I 8.72 5.09 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.94 0.00 0.00 36 K 9.25 4.80 0.00 1.72 1.88 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.34 7.81 37 G 8.77 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 0.00 0.00 0.00 38 L 7.75 4.42 0.00 1.96 1.56 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.14 4.38 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 1.24 0.00 0.00 40 E 8.59 4.14 0.00 2.03 1.91 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 2.29 2.50 0.00 41 G 8.53 3.72 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 42 L 8.17 4.74 0.00 1.48 1.57 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.24 4.89 0.00 3.03 3.30 0.00 5.63 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 44 G 9.19 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 45 F 9.43 5.54 0.00 3.02 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 46 R 9.06 5.12 0.00 1.82 1.82 0.00 3.10 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 47 V 8.48 4.55 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 0.84 0.00 0.00 0.88 0.00 0.00 48 H 9.38 5.09 0.00 3.05 3.44 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.82 3.68 0.00 1.62 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 1.47 1.99 0.00 50 F 8.25 5.05 0.00 3.35 2.87 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 51 G 8.50 4.80 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 0.00 0.00 0.00 52 D 7.94 4.82 0.00 2.64 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 53 N 8.57 5.17 0.00 2.68 2.72 0.00 0.00 7.26 7.70 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 54 T 8.75 3.93 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 55 A 8.34 4.65 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 56 G 7.75 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 57 C 8.53 4.52 0.00 2.95 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 58 T 7.48 3.85 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 1.23 0.00 0.00 59 S 7.64 4.39 0.00 4.14 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 60 A 7.46 4.71 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 61 G 8.25 3.77 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 0.00 0.00 0.00 62 P 0.00 4.80 0.00 2.04 2.06 0.00 3.51 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 63 H 8.80 4.57 0.00 3.10 3.13 0.00 5.53 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.26 4.31 0.00 2.92 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 65 N 8.14 4.48 0.00 2.50 2.34 0.00 0.00 7.21 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 66 P 0.00 4.65 0.00 1.89 1.86 0.00 3.19 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.00 67 L 8.48 3.31 0.00 1.68 1.41 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 *79 R 8.21 4.16 0.00 1.99 1.97 0.00 3.09 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 80 H 8.42 4.79 0.00 3.43 3.20 0.00 5.95 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.69 3.40 1.53 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 0.64 0.00 0.00 0.41 0.00 0.00 82 G 8.34 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.34 4.68 0.00 2.74 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 84 L 8.54 4.63 0.00 1.96 1.91 0.87 0.88 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 85 G 8.36 4.15 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 0.00 86 N 8.50 5.72 0.00 2.57 2.69 0.00 0.00 6.54 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 87 V 8.78 4.44 1.82 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 -0.23 0.00 0.00 0.87 0.00 0.00 88 T 8.32 5.02 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 1.20 0.00 0.00 89 A 9.02 4.98 1.28 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 90 D 9.02 4.70 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.53 3.95 0.00 1.88 2.12 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.89 4.54 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 93 G 8.51 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 94 V 7.73 4.83 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 95 A 9.16 5.39 1.13 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 0.00 0.00 96 D 8.70 4.89 0.00 2.66 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 97 V 8.83 4.33 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 0.70 0.00 0.00 0.61 0.00 0.00 98 S 8.36 4.93 0.00 3.92 3.72 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 99 I 9.12 4.89 1.98 0.00 0.00 1.00 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 0.56 1.01 0.00 0.00 100 E 8.70 5.07 0.00 1.95 1.81 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 2.22 2.34 0.00 101 D 9.36 5.03 0.00 2.81 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 0.00 102 S 8.83 4.79 0.00 4.02 3.94 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 0.00 103 V 9.60 4.07 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 0.80 0.00 0.00 0.96 0.00 0.00 104 I 7.79 4.12 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.82 1.05 0.00 0.00 105 S 8.51 4.66 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.16 4.66 0.00 1.75 1.64 1.02 0.60 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 0.00 107 S 7.84 4.41 0.00 3.97 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 0.00 108 G 8.46 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 0.00 109 D 8.75 4.45 0.00 2.65 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 0.00 110 H 8.10 5.07 0.00 3.23 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.06 4.37 0.00 2.95 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 0.00 112 I 8.39 3.79 1.54 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.22 0.85 0.00 0.00 113 I 7.21 3.89 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.34 0.87 0.00 0.00 114 G 9.30 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 0.00 0.00 0.00 115 R 7.32 4.88 0.00 1.58 1.81 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.24 0.00 116 T 7.98 5.01 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 1.18 0.00 0.00 117 L 8.57 4.92 0.00 1.78 1.52 0.43 0.73 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 0.00 118 V 9.28 4.98 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 0.77 0.00 0.00 0.75 0.00 0.00 119 V 8.50 4.99 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 0.75 0.00 0.00 0.99 0.00 0.00 120 H 9.50 5.14 0.00 3.09 3.32 0.00 5.67 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 0.00 121 E 9.46 4.18 0.00 2.00 2.17 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 2.37 2.35 0.00 122 K 7.98 4.75 0.00 1.76 1.69 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 123 A 8.45 4.44 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 0.00 124 D 9.92 4.74 0.00 2.47 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.81 4.37 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 126 L 9.10 3.74 0.00 1.80 1.82 0.93 0.97 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 0.00 127 G 8.49 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 0.00 0.00 0.00 128 K 7.67 4.66 0.00 1.65 1.77 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.51 7.81 129 G 7.74 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.47 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.44 4.91 0.00 2.64 2.69 0.00 0.00 7.00 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 0.00 132 E 8.38 3.63 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 *140 A 7.61 4.16 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 0.00 141 G 9.09 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 0.00 142 S 8.60 4.86 0.00 3.91 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.38 4.43 0.00 1.68 1.84 0.00 3.18 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 144 L 8.84 4.26 0.00 1.73 1.69 0.87 0.57 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 0.00 145 A 7.72 4.92 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 0.00 146 C 8.50 5.28 0.00 2.98 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 0.00 147 G 8.03 4.80 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 0.00 0.00 0.00 148 V 8.33 4.39 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 0.77 0.00 0.00 0.93 0.00 0.00 149 I 8.85 4.20 1.84 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.54 0.42 0.00 0.00 150 G 8.74 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 0.00 151 I 8.29 4.25 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 1.24 0.54 0.91 0.00 0.00 152 A 8.30 4.76 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 0.00 153 Q 8.46 4.08 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.