NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.1877 8.1749 110.9315 61.4367 70.0682 173.1563 6 V 4.1705 7.7115 117.7392 59.0931 35.3803 172.8470 7 W 4.7087 9.1089 125.1653 54.9668 31.0941 175.4963 8 G 4.1211 8.5841 111.9532 43.2575 0.0000 171.8919 9 A 4.1419 8.5951 127.5198 51.1721 19.2758 176.9122 10 L 3.8875 8.4986 124.7647 56.5159 42.7473 177.9360 11 G 4.1779 8.7997 114.5210 46.4205 0.0000 174.0828 12 H 4.6294 8.1756 115.6621 54.4054 29.7814 175.1301 13 G 3.9056 8.2613 110.4352 45.6004 0.0000 172.6608 14 I 4.2739 7.5245 116.5438 59.9700 40.5149 173.0068 15 N 4.7602 8.5460 122.9196 51.2626 40.6230 174.2201 16 L 4.2786 8.0661 123.9425 53.6237 41.9088 176.5343 17 N 4.6368 8.6142 121.7392 52.9637 39.2936 175.2058 18 I 4.0959 8.3330 122.8310 59.4675 37.2251 173.8790 19 P 4.0760 0.0000 0.0000 63.8410 31.2918 175.8378 20 N 4.1287 8.9075 118.2931 54.1240 36.5244 172.2366 21 F 4.9817 7.8345 120.2419 56.2209 43.0073 173.6725 22 Q 3.9830 6.9060 123.7375 53.9636 31.6231 174.8151 23 M 3.8386 8.3903 123.4965 55.7016 31.8297 175.7311 24 T 4.6151 7.9008 113.4709 59.3062 71.7519 174.9625 25 D 4.4813 8.5029 121.0500 57.0445 40.9184 177.4493 26 D 4.5174 8.0852 116.0108 53.9380 39.5802 175.9612 27 I 4.3137 7.3236 121.7446 60.5455 37.4555 174.7065 28 D 4.6504 8.8154 126.0698 55.9772 42.4478 175.5820 29 E 5.2647 8.1796 117.0030 54.2261 32.9288 175.0133 30 V 4.2992 9.0787 125.6569 61.1713 34.5763 174.0884 31 R 4.9967 8.5393 128.6725 54.5159 32.0368 174.4368 32 W 4.6894 9.3670 127.7406 55.4268 31.1054 175.6561 33 E 5.0797 8.7695 123.0335 54.8382 32.7698 175.0473 34 R 4.3164 8.7867 125.3132 55.2746 30.6748 175.8451 35 G 4.0832 8.4249 118.0424 46.6270 0.0000 174.5077 36 S 4.2574 8.7154 115.8509 60.8830 63.6659 175.4727 37 T 3.8759 7.5183 118.0227 63.3037 68.6301 172.9037 38 L 4.4863 8.3774 127.9631 54.4142 42.6455 175.5496 39 V 4.1707 8.4970 126.3392 64.4036 32.1597 175.5213 40 A 4.9802 7.9556 121.2711 50.1418 22.6441 173.8802 41 E 5.1345 8.7320 120.5662 54.8611 32.9255 174.0454 42 F 5.0837 9.5417 128.9220 56.5243 43.1376 173.7117 43 K 4.5744 6.9870 123.3077 56.6962 34.3490 174.7650 44 R 4.0036 8.5688 128.3748 58.6456 30.1955 176.9884 45 K 3.8601 9.0320 118.4522 55.9865 32.7642 175.0545 *48 P 4.3420 0.0000 0.0000 62.4143 32.3332 175.4571 49 F 4.5139 8.5927 121.3899 57.3571 40.0108 174.8481 50 L 4.3719 7.3363 126.9724 52.2526 44.6390 176.1841 51 K 3.7073 8.3330 125.1884 59.3807 32.3896 175.9585 52 S 4.5779 7.7727 110.6975 57.1432 65.3178 175.3301 53 G 3.6252 8.5681 108.8591 47.8032 0.0000 174.7294 54 A 3.9352 7.7324 122.2974 53.9717 19.2012 177.4918 55 F 5.3006 7.5930 113.0197 56.3364 41.9897 175.6005 56 E 4.5680 8.4655 119.2932 55.5528 33.4043 173.8283 57 I 4.5003 8.4690 128.2442 60.3318 39.2158 175.5402 58 L 4.4059 8.9987 129.8371 53.4796 42.7403 177.5438 59 A 4.1839 8.4715 122.1850 54.1735 18.3698 178.0048 60 N 4.7824 8.3048 111.7685 52.2751 37.6217 175.8635 61 G 4.0004 8.0752 108.2968 45.5911 0.0000 174.2082 62 D 4.5631 7.7801 119.2517 54.3715 42.2321 174.7578 63 L 4.9879 8.3340 122.9570 53.3512 44.0504 175.4870 64 K 4.4643 9.0660 127.4833 54.7196 34.5298 174.5948 65 I 4.1438 8.2223 129.0509 60.4191 37.5627 175.7764 66 K 4.0168 9.4033 130.6037 58.7089 31.9451 176.1725 67 N 4.9665 7.6104 115.7833 50.9302 41.4079 174.7908 68 L 4.2807 8.2893 122.5163 55.3590 42.8937 176.3581 69 T 4.6980 7.9066 115.0315 62.2538 72.4283 175.4074 70 R 4.0125 8.6754 123.5657 59.5620 30.7760 178.1939 71 D 4.5072 8.1794 117.4656 57.4724 40.9515 177.7088 72 D 4.7360 7.8332 115.7945 55.5813 40.6668 176.5791 73 S 4.6115 7.6059 114.6261 57.5476 64.4137 171.7378 74 G 3.6594 8.2899 105.5310 44.3720 0.0000 172.2807 75 T 5.0840 8.1687 115.3817 62.7597 69.6209 174.4920 76 Y 4.5995 9.1776 123.6959 56.2727 41.4392 174.5949 77 N 5.3703 8.6255 118.2403 51.6542 41.7671 174.0140 78 V 4.1856 8.5622 124.8804 62.2243 33.3354 175.0373 79 T 4.8727 8.3433 123.4219 62.1058 70.4143 173.3080 80 V 4.4066 8.0938 126.0355 61.3824 34.4466 174.3014 81 Y 5.0836 8.2074 122.1167 56.0688 41.5859 175.7360 82 S 4.4547 8.9797 119.6362 57.7856 64.0289 174.9770 83 T 3.8197 8.5563 115.7200 65.0367 66.9489 174.5130 84 N 4.5185 8.0032 116.7563 52.9010 37.9918 175.2525 85 G 4.0026 8.0173 105.6622 45.6784 0.0000 174.5517 86 T 4.0317 7.9579 118.5644 63.7372 68.9968 174.4336 87 R 4.2118 8.3929 127.6606 55.1919 28.4759 173.9492 88 I 3.8589 7.5357 112.5305 60.2615 39.1742 172.8559 89 L 3.7078 9.3494 133.9573 54.5582 43.0263 172.7702 90 D 4.6063 8.2269 124.1362 53.5585 42.4657 173.9131 91 K 4.8003 9.1068 123.8754 54.0249 35.9667 174.5592 92 A 5.3654 8.4382 122.1134 50.2792 22.0075 175.5500 93 L 4.7636 8.9853 120.2777 53.1448 45.8966 175.7962 94 D 5.0024 8.7182 123.0495 52.4497 41.5553 174.9387 95 L 4.2194 9.0703 126.4554 54.9257 43.1021 175.5258 96 R 5.1150 8.5021 125.5936 54.0945 32.9140 175.7576 97 I 3.9596 8.3834 117.4888 60.2100 38.6453 175.1794 98 L 4.2307 8.3817 126.3611 54.5699 42.8461 176.2086 99 E 4.2627 8.6881 124.0378 56.5592 29.6459 175.7966 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 5 T 8.17 4.19 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 1.10 0.00 0.00 6 V 7.71 4.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.85 0.00 0.00 7 W 9.11 4.71 0.00 3.28 3.18 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 8 G 8.58 4.12 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 0.00 0.00 0.00 9 A 8.60 4.14 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.50 3.89 0.00 1.69 1.59 0.93 1.07 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 11 G 8.80 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 0.00 0.00 0.00 0.00 12 H 8.18 4.63 0.00 3.20 3.25 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.26 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 14 I 7.52 4.27 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 1.37 0.60 0.85 0.00 0.00 15 N 8.55 4.76 0.00 2.68 2.64 0.00 0.00 6.98 7.85 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 16 L 8.07 4.28 0.00 0.77 1.56 0.63 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.61 4.64 0.00 2.80 2.84 0.00 0.00 7.18 7.45 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 18 I 8.33 4.10 1.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.52 0.00 0.00 19 P 0.00 4.08 0.00 2.03 2.08 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 20 N 8.91 4.13 0.00 2.79 2.81 0.00 0.00 6.94 7.02 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 21 F 7.83 4.98 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 6.91 3.98 0.00 1.73 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 23 M 8.39 3.84 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.80 0.00 24 T 7.90 4.62 4.32 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 1.11 0.00 0.00 25 D 8.50 4.48 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 26 D 8.09 4.52 0.00 2.79 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 27 I 7.32 4.31 2.22 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.01 1.25 0.00 0.00 28 D 8.82 4.65 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.18 5.26 0.00 1.93 1.76 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 2.17 2.59 0.00 30 V 9.08 4.30 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 0.66 0.00 0.00 1.05 0.00 0.00 31 R 8.54 5.00 0.00 2.03 1.70 0.00 3.31 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 32 W 9.37 4.69 0.00 3.42 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 33 E 8.77 5.08 0.00 1.79 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 0.00 2.22 2.30 0.00 34 R 8.79 4.32 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 35 G 8.42 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 36 S 8.72 4.26 0.00 3.98 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 37 T 7.52 3.88 4.47 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 1.21 0.00 0.00 38 L 8.38 4.49 0.00 1.59 1.58 0.90 1.02 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 39 V 8.50 4.17 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 0.76 0.00 0.00 0.95 0.00 0.00 40 A 7.96 4.98 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 41 E 8.73 5.13 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 2.17 2.37 0.00 42 F 9.54 5.08 0.00 3.16 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 43 K 6.99 4.57 0.00 1.59 1.44 0.00 1.82 0.00 0.00 2.33 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.33 7.81 44 R 8.57 4.00 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.36 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 45 K 9.03 3.86 0.00 1.85 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 *48 P 0.00 4.34 0.00 2.22 2.11 0.00 3.39 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 49 F 8.59 4.51 0.00 2.99 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 50 L 7.34 4.37 0.00 1.45 1.44 0.90 0.93 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 51 K 8.33 3.71 0.00 1.57 1.83 0.00 1.84 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.54 7.81 52 S 7.77 4.58 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.57 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 0.00 0.00 0.00 54 A 7.73 3.94 0.76 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 55 F 7.59 5.30 0.00 2.92 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 56 E 8.47 4.57 0.00 1.99 1.76 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 2.20 2.23 0.00 57 I 8.47 4.50 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 1.36 0.84 0.92 0.00 0.00 58 L 9.00 4.41 0.00 1.83 1.63 0.92 0.84 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 59 A 8.47 4.18 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 60 N 8.30 4.78 0.00 2.82 2.89 0.00 0.00 6.25 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 61 G 8.08 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 62 D 7.78 4.56 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.33 4.99 0.00 1.61 1.49 1.03 0.44 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 64 K 9.07 4.46 0.00 1.81 1.76 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.35 7.81 65 I 8.22 4.14 1.81 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 1.42 0.67 0.78 0.00 0.00 66 K 9.40 4.02 0.00 1.75 1.71 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.42 7.81 67 N 7.61 4.97 0.00 2.64 2.63 0.00 0.00 6.92 7.85 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 68 L 8.29 4.28 0.00 1.61 1.59 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.91 4.70 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 70 R 8.68 4.01 0.00 1.79 2.02 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 71 D 8.18 4.51 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.83 4.74 0.00 2.95 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 73 S 7.61 4.61 0.00 4.18 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 74 G 8.29 3.66 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 0.00 0.00 0.00 75 T 8.17 5.08 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 1.27 0.00 0.00 76 Y 9.18 4.60 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.63 5.37 0.00 2.54 2.72 0.00 0.00 6.86 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 78 V 8.56 4.19 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 0.95 0.00 0.00 0.95 0.00 0.00 79 T 8.34 4.87 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 0.93 0.00 0.00 80 V 8.09 4.41 2.16 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 0.95 0.00 0.00 0.89 0.00 0.00 81 Y 8.21 5.08 0.00 2.97 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 82 S 8.98 4.45 0.00 4.02 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 83 T 8.56 3.82 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 1.23 0.00 0.00 84 N 8.00 4.52 0.00 2.88 2.94 0.00 0.00 6.18 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 85 G 8.02 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 86 T 7.96 4.03 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 1.23 0.00 0.00 87 R 8.39 4.21 0.00 1.95 1.87 0.00 3.17 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.15 0.00 88 I 7.54 3.86 1.84 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 1.14 0.65 0.90 0.00 0.00 89 L 9.35 3.71 0.00 1.82 1.62 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.23 4.61 0.00 2.57 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 91 K 9.11 4.80 0.00 1.76 1.67 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.40 7.81 92 A 8.44 5.37 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 93 L 8.99 4.76 0.00 1.70 1.57 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.72 5.00 0.00 2.55 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 95 L 9.07 4.22 0.00 2.06 1.77 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.50 5.11 0.00 1.71 1.81 0.00 3.44 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 97 I 8.38 3.96 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 1.32 0.42 0.93 0.00 0.00 98 L 8.38 4.23 0.00 1.61 1.60 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.69 4.26 0.00 1.99 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 2.24 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.