NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1255 8.1127 120.8604 57.0098 30.6668 174.4803 3 V 3.3385 8.7717 122.5999 61.5004 30.6071 171.7669 4 K 4.0289 9.1830 120.7940 61.1029 33.2210 176.3933 5 M 3.8321 7.2680 117.6245 53.5349 33.2940 174.1337 6 H 5.1327 8.0334 114.8894 55.7307 36.4858 175.7339 7 V 4.4158 7.6272 117.9197 61.9776 31.6276 178.7541 8 K 4.2553 9.0060 119.0202 56.7476 32.2471 175.3631 9 K 4.1521 7.9230 118.7194 57.0062 34.6088 177.2473 10 G 4.1164 8.5694 101.1660 43.6600 0.0000 171.5212 11 D 4.4706 7.3170 117.8280 52.7313 42.3363 176.7458 12 T 4.4250 8.3403 116.4012 63.7420 70.6420 174.4097 13 V 4.5779 8.0490 124.6704 60.9695 34.3730 177.2792 14 L 4.9335 8.0765 121.9485 54.7470 44.3616 171.0771 15 V 4.8337 8.0178 121.9693 61.4348 33.9764 175.6310 16 A 4.8113 8.3584 123.3773 51.8133 22.6061 177.0960 17 S 4.3416 8.3267 108.3845 60.0574 61.1682 174.8834 18 G 3.9878 8.5300 102.6134 46.4766 0.0000 173.3522 19 K 4.0108 7.9291 121.7513 56.7864 33.5474 176.8072 20 Y 4.7620 7.4334 116.3161 56.9995 38.5204 175.1638 21 K 4.3234 7.8752 113.8787 56.2380 33.6166 176.5236 22 G 4.7925 7.4691 104.7127 44.6918 0.0000 173.6715 23 R 4.6824 6.9533 117.6293 54.8151 35.6311 176.1296 24 V 4.4751 8.6119 123.2579 61.4355 32.4655 175.0355 25 G 4.0287 8.3783 115.3713 44.4211 0.0000 172.5419 26 K 5.2782 8.1764 121.7844 55.0716 33.1784 176.2591 27 V 3.7423 8.1416 117.1257 63.4957 31.9449 176.8497 28 K 4.3830 7.8082 119.0355 55.5493 33.6176 176.3986 29 E 3.6930 8.1924 116.6934 56.6916 26.6194 174.8092 30 V 3.6319 7.3501 117.6052 63.2511 32.1111 175.0500 31 L 4.1864 7.8720 124.9008 55.2547 42.3987 175.7359 32 P 4.6667 0.0000 0.0000 62.3840 31.2481 176.8563 33 K 3.7582 7.6125 116.8577 61.0399 32.2182 177.7274 34 K 4.0166 7.8565 119.7141 57.3439 32.8122 176.0520 35 Y 3.2941 7.7227 119.5919 58.2656 36.9912 167.7298 36 A 5.6629 7.1024 122.7960 50.2872 23.4654 174.6755 37 V 4.5555 8.4045 110.8369 60.8577 33.4786 177.5052 38 I 4.6847 10.0297 135.0000 61.9758 37.3536 174.8570 39 V 3.1414 7.1752 119.7398 63.5376 31.9729 174.7399 40 E 5.4628 8.0217 112.9761 55.2489 33.6388 175.6591 41 G 3.9495 7.8013 109.7900 44.5373 0.0000 172.1793 42 V 2.3032 7.8939 119.3803 62.2761 31.0598 172.6940 43 N 4.6712 8.0290 120.6362 52.8046 39.2922 173.6060 44 I 4.7149 7.8783 116.3653 59.7336 41.7738 175.3586 45 V 3.9290 8.3663 125.2455 61.8796 31.6905 176.9433 46 K 4.1497 7.7521 129.5773 56.7655 32.0201 177.5247 47 K 3.9540 7.9497 120.6340 56.6712 33.6908 174.6438 48 A 4.7048 7.5607 125.3023 50.5298 22.2434 175.6986 49 V 4.1775 8.3070 116.9470 62.0447 32.4137 172.7888 50 R 3.9109 8.1319 122.5600 56.2088 28.8228 175.1208 51 V 3.1275 7.9578 122.2627 66.2447 32.1753 176.4873 52 S 4.7088 7.4613 110.8646 57.9892 63.5859 173.4244 53 P 4.1887 0.0000 0.0000 63.8657 29.5001 175.9915 54 K 3.9334 8.1898 120.8310 57.1648 33.2025 176.4584 55 Y 3.6425 8.7712 116.4392 58.6882 36.9146 171.5910 56 P 4.3256 0.0000 0.0000 62.4966 34.6159 176.4083 57 Q 3.7494 7.6929 125.6751 54.2440 30.3932 175.5548 58 G 3.7213 8.5611 107.6977 42.8674 0.0000 175.5770 59 G 3.8892 7.8444 110.2074 43.8583 0.0000 174.1001 60 F 4.6228 8.5515 120.0227 56.7824 40.7156 173.0382 61 I 4.5687 8.1496 124.7770 62.1906 45.9642 176.8264 62 E 3.6959 8.0474 118.1497 55.3109 26.7011 172.8556 63 K 4.6440 7.9222 118.9656 54.7956 35.9628 177.4291 64 E 4.5766 8.3710 121.9282 55.1711 28.6249 177.6282 65 A 4.6351 8.3276 128.3756 52.0044 21.5205 174.4796 66 P 4.4181 0.0000 0.0000 64.6602 32.1045 173.8221 67 L 4.3221 7.7276 119.0557 56.0740 46.3806 172.1782 68 H 4.9806 8.3065 118.5595 55.0641 30.7292 176.6328 69 A 4.0582 8.7317 128.2736 54.1014 18.3791 177.7677 70 S 4.4735 8.3740 109.1602 59.2614 63.3843 174.1708 71 K 4.7208 7.8822 121.0727 55.1576 30.2444 176.9688 72 V 4.7038 7.4232 110.9112 60.4097 36.3178 175.5224 73 R 4.6265 8.4696 123.9856 53.5294 31.8788 175.5237 74 P 4.5890 0.0000 0.0000 63.7086 30.3305 174.4707 75 I 4.8580 7.8469 116.2292 61.6568 40.4152 171.9055 76 C 4.4809 10.0465 119.6412 58.1636 32.5570 172.9960 77 P 4.0123 0.0000 0.0000 62.4066 28.3936 175.3592 78 A 4.9574 6.1718 130.9975 53.0863 21.6093 177.5128 79 C 4.9072 7.6689 116.4928 60.5260 28.5856 176.4148 80 G 3.7624 9.5203 107.0944 46.6247 0.0000 172.7264 81 K 4.3513 7.2376 120.0409 54.4105 30.7683 173.6788 82 P 4.3172 0.0000 0.0000 63.1474 31.5168 174.3815 83 T 4.5262 8.1192 113.4419 60.9738 68.8487 173.8184 84 R 4.4445 7.9435 134.1293 56.3082 33.1458 174.7556 85 V 4.6088 8.1114 115.9370 62.3368 35.2751 173.8911 86 R 4.8669 8.6984 123.3402 54.5822 33.6335 175.1614 87 K 4.8523 8.3038 114.6561 54.9526 34.5927 177.1926 88 K 3.9820 9.1898 115.9030 57.0457 29.7054 176.4245 89 F 3.9793 10.1340 119.1656 57.9363 37.6203 175.8316 90 L 4.5550 7.4593 119.6397 53.2368 40.8960 173.7353 91 E 4.6425 8.5409 119.5813 58.8239 33.4612 175.6684 92 N 5.2981 7.6961 113.7841 53.6721 39.6987 175.7576 93 G 3.9786 8.0314 103.9140 45.8267 0.0000 173.2991 94 K 4.8394 8.4798 120.3030 55.5966 34.7503 175.5811 95 K 5.0612 8.3899 123.1823 54.5429 35.5398 175.5657 96 I 4.3353 8.6061 121.9843 60.5927 38.4699 176.0706 97 R 3.7551 7.8547 120.9651 57.0384 29.4029 177.1483 98 V 3.2093 8.2103 123.9165 62.0747 29.6374 170.1739 99 C 4.8014 6.6220 116.6015 59.7590 35.9586 171.6540 100 A 4.6603 7.7837 120.5898 50.9474 22.1030 177.5425 101 K 4.1646 8.3340 121.2938 56.6456 32.4516 175.6181 *102 C 4.3630 8.5209 112.7715 58.3652 28.5244 169.3932 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 R 8.11 4.13 0.00 1.83 1.90 0.00 3.46 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.77 3.34 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 0.83 0.00 0.00 0.94 0.00 0.00 4 K 9.18 4.03 0.00 1.88 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.42 7.81 5 M 7.27 3.83 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 6 H 8.03 5.13 0.00 3.18 3.17 0.00 5.49 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.63 4.42 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 0.86 0.00 0.00 0.87 0.00 0.00 8 K 9.01 4.26 0.00 1.68 1.74 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.46 7.81 9 K 7.92 4.15 0.00 1.87 1.75 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.39 7.81 10 G 8.57 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 11 D 7.32 4.47 0.00 2.70 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 12 T 8.34 4.43 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 1.27 0.00 0.00 13 V 8.05 4.58 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 0.65 0.00 0.00 0.99 0.00 0.00 14 L 8.08 4.93 0.00 1.83 1.86 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.02 4.83 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 1.00 0.00 0.00 1.00 0.00 0.00 16 A 8.36 4.81 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 17 S 8.33 4.34 0.00 4.06 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 18 G 8.53 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 19 K 7.93 4.01 0.00 1.23 1.30 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.45 7.81 20 Y 7.43 4.76 0.00 3.19 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 21 K 7.88 4.32 0.00 1.72 1.77 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.62 7.81 22 G 7.47 4.79 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 0.00 0.00 0.00 23 R 6.95 4.68 0.00 1.78 1.83 0.00 3.31 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 24 V 8.61 4.48 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 0.87 0.00 0.00 0.94 0.00 0.00 25 G 8.38 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 26 K 8.18 5.28 0.00 1.72 1.70 0.00 1.64 0.00 0.00 2.28 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.37 7.81 27 V 8.14 3.74 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 0.95 0.00 0.00 0.92 0.00 0.00 28 K 7.81 4.38 0.00 1.69 1.76 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.59 7.81 29 E 8.19 3.69 0.00 1.99 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 2.22 2.31 0.00 30 V 7.35 3.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 31 L 7.87 4.19 0.00 1.62 1.67 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.67 0.00 1.93 2.00 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 33 K 7.61 3.76 0.00 1.77 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 34 K 7.86 4.02 0.00 1.76 1.89 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 35 Y 7.72 3.29 0.00 3.05 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 36 A 7.10 5.66 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 37 V 8.40 4.56 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 0.65 0.00 0.00 0.88 0.00 0.00 38 I 10.03 4.68 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.37 0.95 0.00 0.00 39 V 7.18 3.14 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 40 E 8.02 5.46 0.00 1.92 1.88 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 2.19 2.19 0.00 41 G 7.80 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.89 2.30 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 0.67 0.00 0.00 0.01 0.00 0.00 43 N 8.03 4.67 0.00 2.83 2.69 0.00 0.00 6.02 7.81 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 44 I 7.88 4.71 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 1.14 0.52 0.93 0.00 0.00 45 V 8.37 3.93 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 0.96 0.00 0.00 0.99 0.00 0.00 46 K 7.75 4.15 0.00 1.79 1.52 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.34 7.81 47 K 7.95 3.95 0.00 1.72 1.87 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.49 7.81 48 A 7.56 4.70 1.06 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 0.00 0.00 0.00 49 V 8.31 4.18 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 0.88 0.00 0.00 0.97 0.00 0.00 50 R 8.13 3.91 0.00 1.99 2.13 0.00 3.53 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 51 V 7.96 3.13 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 0.87 0.00 0.00 0.93 0.00 0.00 52 S 7.46 4.71 0.00 3.97 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 53 P 0.00 4.19 0.00 2.10 2.16 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 54 K 8.19 3.93 0.00 1.54 1.19 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.74 1.10 7.81 55 Y 8.77 3.64 0.00 3.01 2.98 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 56 P 0.00 4.33 0.00 2.17 1.80 0.00 3.80 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 2.04 2.17 0.00 57 Q 7.69 3.75 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 58 G 8.56 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 59 G 7.84 3.89 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 0.00 0.00 0.00 60 F 8.55 4.62 0.00 2.94 3.02 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 61 I 8.15 4.57 1.87 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 1.45 0.29 0.92 0.00 0.00 62 E 8.05 3.70 0.00 2.08 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 0.00 2.24 2.24 0.00 63 K 7.92 4.64 0.00 1.72 1.62 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.39 7.81 64 E 8.37 4.58 0.00 2.03 1.64 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 2.36 2.28 0.00 65 A 8.33 4.64 1.21 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 0.00 0.00 66 P 0.00 4.42 0.00 1.92 2.05 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 67 L 7.73 4.32 0.00 1.61 1.47 0.90 0.88 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 68 H 8.31 4.98 0.00 3.31 3.20 0.00 5.73 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 69 A 8.73 4.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.37 4.47 0.00 4.01 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 71 K 7.88 4.72 0.00 1.83 1.81 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 72 V 7.42 4.70 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 0.65 0.00 0.00 0.94 0.00 0.00 73 R 8.47 4.63 0.00 1.67 1.84 0.00 3.36 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 74 P 0.00 4.59 0.00 2.27 2.15 0.00 3.83 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 2.33 1.92 0.00 75 I 7.85 4.86 1.99 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 1.28 0.86 0.95 0.00 0.00 76 C 10.05 4.48 0.00 3.05 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 77 P 0.00 4.01 0.00 2.15 2.33 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 78 A 6.17 4.96 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 79 C 7.67 4.91 0.00 3.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 9.52 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 81 K 7.24 4.35 0.00 1.75 1.70 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.53 7.81 82 P 0.00 4.32 0.00 2.22 2.03 0.00 3.59 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 2.12 2.10 0.00 83 T 8.12 4.53 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 1.21 0.00 0.00 84 R 7.94 4.44 0.00 2.01 1.89 0.00 3.15 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 85 V 8.11 4.61 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 0.83 0.00 0.00 0.94 0.00 0.00 86 R 8.70 4.87 0.00 1.92 1.76 0.00 3.11 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 87 K 8.30 4.85 0.00 1.92 1.98 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.51 7.81 88 K 9.19 3.98 0.00 2.08 1.95 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.53 7.81 89 F 10.13 3.98 0.00 3.14 3.38 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 0.00 90 L 7.46 4.55 0.00 1.69 1.74 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.54 4.64 0.00 2.07 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 2.26 2.40 0.00 92 N 7.70 5.30 0.00 2.61 2.72 0.00 0.00 7.31 7.98 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 93 G 8.03 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 94 K 8.48 4.84 0.00 1.84 1.94 0.00 1.47 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.42 7.81 95 K 8.39 5.06 0.00 1.87 1.64 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.36 7.81 96 I 8.61 4.34 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 1.50 0.65 1.08 0.00 0.00 97 R 7.85 3.76 0.00 1.96 2.01 0.00 3.22 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 98 V 8.21 3.21 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 0.75 0.00 0.00 0.93 0.00 0.00 99 C 6.62 4.80 0.00 3.03 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 0.00 100 A 7.78 4.66 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.33 4.16 0.00 1.91 1.76 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.37 7.81 *102 C 8.52 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.