NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5858 8.3644 120.1910 52.9870 42.4756 172.9653 4 R 4.2919 7.3804 127.7262 55.3084 36.7974 174.6273 5 L 3.9692 8.5335 120.1797 58.3447 42.9853 178.0716 6 T 4.0912 7.9505 115.3347 66.8480 68.5122 175.9463 7 Q 4.1536 8.1927 120.7183 59.1489 28.9636 178.5418 8 L 3.9300 8.0728 121.4815 58.3026 42.0096 178.7339 9 Q 4.0330 8.5892 117.7523 59.0868 28.7980 179.1328 10 I 3.8645 8.2274 120.9618 64.7599 37.2979 178.0143 11 C 3.9888 8.0700 117.5109 63.0987 27.8710 176.1576 12 L 4.0972 8.1508 121.5007 57.7523 41.6250 178.6717 13 D 4.8248 8.2980 120.9966 56.9918 40.7869 178.1805 14 Q 4.2206 8.2191 119.5184 59.3455 28.7616 178.5712 15 M 4.0987 7.8338 118.8443 58.7085 32.7226 178.1217 16 T 3.9787 8.3043 110.2133 64.8383 68.5565 176.1102 17 E 4.0616 8.7324 121.8320 59.6624 29.6457 179.0560 18 Q 4.1938 7.9512 117.7316 59.1674 28.8300 179.1766 19 F 4.0754 8.6427 118.3184 59.7338 39.0433 177.4212 20 C 4.2426 7.7100 115.3427 62.3125 28.1999 175.5396 21 A 4.0644 8.3497 121.2862 55.4958 17.9714 179.5025 22 T 4.1425 8.0681 113.7877 66.4629 68.7369 177.2093 23 L 4.2065 7.7273 118.4523 56.8730 41.7577 178.4861 24 N 4.7103 8.0818 116.3621 55.5150 38.7547 176.2168 25 Y 4.2903 7.9360 119.5953 59.0011 39.0176 176.4304 26 I 4.5485 7.8079 120.2481 61.4055 38.6561 176.3811 27 D 4.7676 8.0009 118.8491 55.9595 47.3800 178.3113 28 K 4.1071 8.2654 117.2624 58.6421 32.3921 177.0469 29 N 4.7359 7.0205 114.6315 53.0383 39.1729 174.4097 30 H 3.9307 8.1393 116.5965 55.7298 28.0631 173.6762 31 G 3.9407 8.5067 106.0646 47.9124 0.0000 172.0930 32 F 4.0060 9.1136 114.5762 58.9098 38.2836 178.0973 33 E 2.8706 5.9000 119.0545 59.0463 30.3724 178.2879 *49 V 3.9247 7.4366 121.1998 62.1602 33.6397 175.5787 50 V 4.4157 7.2422 117.7861 60.4117 33.5882 172.9148 51 P 4.2708 0.0000 0.0000 62.3962 31.4105 174.8666 52 P 4.5211 0.0000 0.0000 64.0233 31.7549 175.9435 53 E 4.4470 8.0018 119.0895 58.1510 30.8561 177.3444 54 E 3.9485 8.3784 117.7141 59.0715 29.4814 177.0292 55 F 4.5813 8.1291 120.7292 59.1031 39.8112 176.2072 56 S 3.8342 8.6973 116.4012 61.3651 63.2162 175.2572 57 N 4.7619 8.0654 118.2156 53.6747 38.8508 175.0968 58 T 4.7745 8.1170 112.9841 63.2786 75.8075 176.4743 59 I 3.4611 7.4294 121.8720 63.9411 36.8167 177.9818 60 D 4.2082 7.6530 120.1659 57.3606 40.7126 178.0121 61 E 4.0033 8.1121 118.3149 59.9811 29.0332 179.6680 62 L 3.9866 8.0331 118.0666 57.0515 41.5739 179.7255 63 S 4.1116 7.6294 115.3349 61.3477 63.0384 176.1145 64 T 3.7969 8.4891 119.1888 66.8886 68.1594 175.7213 65 D 4.2810 7.9512 119.2812 57.7478 41.3263 178.5042 66 I 3.1251 7.2626 118.8696 64.2916 36.9247 178.6142 67 I 3.7440 7.6887 120.6250 64.3476 37.1327 178.2028 68 L 3.9895 8.1905 120.1671 57.7246 41.3752 179.6028 69 K 3.8759 8.8106 119.4007 59.9295 32.0517 179.2198 70 T 3.8908 7.6400 115.1834 66.8138 68.5319 176.5484 71 R 3.9030 8.0220 120.3439 59.6669 30.1146 178.6191 72 Q 4.0676 8.7059 118.1022 58.6659 28.5356 178.8459 73 I 3.6735 7.8932 121.2046 64.6325 37.0346 178.1292 74 N 4.3059 8.0564 115.6997 56.1635 38.5212 177.5624 75 K 4.1093 7.8937 119.6767 59.4213 32.3891 178.9742 76 L 3.9656 7.8090 119.2374 58.3139 41.6342 179.8268 77 I 3.7434 7.9730 119.3596 64.6018 36.7608 178.2673 78 D 4.4347 8.0981 119.2518 56.6513 40.7057 177.8859 79 S 4.6178 7.4854 111.5520 56.9103 63.6871 174.2930 80 L 3.9655 7.1762 123.5463 54.6836 41.2245 175.5557 81 P 4.3013 0.0000 0.0000 63.7412 31.8956 176.4391 82 G 4.1290 8.6862 107.2581 46.6522 0.0000 175.3046 83 V 3.8187 7.2644 122.1649 64.1490 31.9311 177.4649 84 D 4.4371 8.0710 119.4283 56.8241 41.0150 177.2287 85 V 3.7693 7.5119 117.3908 62.4687 31.8253 175.5397 86 S 4.5415 8.2994 120.1905 57.0279 64.8122 174.9642 87 A 4.0369 8.4133 121.6662 55.1199 17.9417 179.6668 88 E 3.8399 8.0424 116.6401 59.6905 29.5256 178.6992 89 E 3.9170 7.7427 117.3733 59.6289 29.8234 178.8436 90 Q 4.1248 7.7852 116.7532 58.8878 28.8308 178.4736 91 L 4.0521 7.6794 119.7679 57.6237 41.5150 179.4513 92 R 4.2274 7.8371 113.7478 56.8370 30.6629 177.1398 93 K 4.4763 7.8925 121.0813 57.8681 34.5724 177.2670 94 I 3.9346 7.7779 119.8367 64.1556 37.0481 177.6168 95 D 4.4648 7.8379 120.1245 57.5354 40.9831 178.0240 96 M 4.1372 8.0091 114.6527 56.6506 32.4079 175.8362 97 L 4.6237 9.5253 115.3684 55.8641 44.1073 178.6768 98 Q 4.0931 8.8339 117.5154 59.8264 28.9395 178.8601 99 K 3.9961 8.5901 119.1240 57.3037 31.7773 179.4876 100 K 4.2726 7.8616 120.4538 59.8689 32.7597 177.9883 101 L 4.0056 8.5553 120.4304 57.5261 41.5474 179.4965 102 V 3.5636 8.1069 118.7550 65.2414 30.9549 177.9823 103 E 3.8993 8.0743 118.2019 58.9836 29.9293 178.5414 104 V 3.7355 8.1230 118.7149 65.9149 31.6354 177.7020 105 E 4.0426 8.9534 119.6203 58.8330 29.1622 177.2004 106 D 4.8201 8.2684 117.0620 54.0567 42.1118 176.2638 107 E 4.7433 8.2796 114.0049 55.1444 34.8352 176.9795 108 K 4.0256 8.0521 121.1185 59.4110 32.0196 178.5006 109 I 3.6836 7.7996 119.9733 64.8319 37.1568 177.4852 110 E 3.6767 8.3758 116.5573 59.6170 29.3898 179.4010 111 A 3.9519 8.2994 119.8079 55.5622 18.7505 179.7646 112 I 3.5878 7.6368 117.9420 64.4838 37.2596 178.4393 113 K 3.8459 8.2515 119.5353 59.7454 31.9643 179.2200 114 K 3.8909 8.4260 118.6037 59.5225 31.9401 179.2779 115 K 3.9346 8.5325 120.0589 59.4080 32.0998 178.6014 116 E 3.9228 8.8163 119.1813 59.2745 29.4423 178.9954 117 K 3.8269 8.4782 119.8605 59.6464 32.2465 178.2081 118 L 3.9459 8.0156 120.3657 58.0990 41.9259 178.5686 119 L 3.8965 8.1264 120.3837 58.4927 42.0136 178.6856 120 R 3.8480 8.0900 117.6520 59.9018 29.8177 178.3239 121 H 3.9692 7.9824 117.1716 59.9090 30.2581 176.5908 122 V 3.5543 7.8703 119.9281 65.7800 31.1910 177.3142 123 D 4.4843 8.4212 118.8398 57.5181 40.9412 179.4074 124 S 4.0080 8.3341 113.9713 61.3676 62.4088 176.2092 125 L 3.5945 8.0160 121.6946 57.8472 41.2010 179.6647 126 I 3.6697 7.4750 117.2979 64.1158 36.9752 177.8647 127 E 4.1205 7.5537 118.9975 59.3403 29.1144 178.4914 128 D 4.5496 7.4923 117.8761 57.0217 40.8021 179.5766 129 F 5.0812 7.7964 118.8587 56.6922 38.0798 175.4977 130 V 4.0477 9.1824 126.5400 63.3563 31.5847 173.8818 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 3 D 8.36 4.59 0.00 2.63 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 4 R 7.38 4.29 0.00 1.94 1.80 0.00 3.28 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 5 L 8.53 3.97 0.00 1.79 1.64 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.95 4.09 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 1.21 0.00 0.00 7 Q 8.19 4.15 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 8 L 8.07 3.93 0.00 1.92 1.81 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.59 4.03 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 10 I 8.23 3.86 2.05 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 1.53 0.87 0.92 0.00 0.00 11 C 8.07 3.99 0.00 3.24 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 12 L 8.15 4.10 0.00 1.77 1.77 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.30 4.82 0.00 2.98 2.70 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 0.00 0.00 0.00 14 Q 8.22 4.22 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 15 M 7.83 4.10 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.71 0.00 16 T 8.30 3.98 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 1.18 0.00 0.00 17 E 8.73 4.06 0.00 2.17 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 2.35 2.37 0.00 18 Q 7.95 4.19 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 19 F 8.64 4.08 0.00 3.15 3.11 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 0.00 0.00 0.00 20 C 7.71 4.24 0.00 3.29 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 21 A 8.35 4.06 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 22 T 8.07 4.14 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 1.17 0.00 0.00 23 L 7.73 4.21 0.00 1.81 1.82 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.08 4.71 0.00 2.85 2.91 0.00 0.00 6.48 6.79 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 25 Y 7.94 4.29 0.00 3.08 3.15 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 26 I 7.81 4.55 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.30 1.08 0.00 0.00 27 D 8.00 4.77 0.00 2.95 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 28 K 8.27 4.11 0.00 1.66 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.44 7.81 29 N 7.02 4.74 0.00 2.20 2.33 0.00 0.00 6.93 8.04 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 30 H 8.14 3.93 0.00 2.99 2.96 0.00 5.78 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 31 G 8.51 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 0.00 0.00 0.00 32 F 9.11 4.01 0.00 3.19 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 33 E 5.90 2.87 0.00 1.16 1.40 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 2.04 1.47 0.00 *49 V 7.44 3.92 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 0.72 0.00 0.00 0.86 0.00 0.00 50 V 7.24 4.42 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 1.06 0.00 0.00 0.99 0.00 0.00 51 P 0.00 4.27 0.00 2.28 2.22 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.03 0.00 52 P 0.00 4.52 0.00 2.22 2.18 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 53 E 8.00 4.45 0.00 2.09 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 2.23 2.28 0.00 54 E 8.38 3.95 0.00 2.03 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 2.43 2.39 0.00 55 F 8.13 4.58 0.00 3.22 2.93 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 56 S 8.70 3.83 0.00 4.02 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 0.00 57 N 8.07 4.76 0.00 2.94 2.92 0.00 0.00 6.99 7.15 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 58 T 8.12 4.77 4.52 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 0.68 0.00 0.00 59 I 7.43 3.46 1.44 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 0.58 0.36 0.76 0.00 0.00 60 D 7.65 4.21 0.00 2.64 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 61 E 8.11 4.00 0.00 2.07 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 2.34 2.36 0.00 62 L 8.03 3.99 0.00 1.49 1.54 0.60 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.63 4.11 0.00 4.03 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 64 T 8.49 3.80 4.34 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 1.17 0.00 0.00 65 D 7.95 4.28 0.00 2.66 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 66 I 7.26 3.13 1.78 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.58 0.66 0.00 0.00 67 I 7.69 3.74 2.03 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 1.51 1.03 0.91 0.00 0.00 68 L 8.19 3.99 0.00 1.64 1.71 0.90 0.80 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 69 K 8.81 3.88 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.81 7.81 70 T 7.64 3.89 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 71 R 8.02 3.90 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 72 Q 8.71 4.07 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 73 I 7.89 3.67 2.09 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 1.84 0.90 0.92 0.00 0.00 74 N 8.06 4.31 0.00 2.85 2.90 0.00 0.00 7.18 7.23 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 75 K 7.89 4.11 0.00 2.01 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 76 L 7.81 3.97 0.00 1.86 1.74 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.97 3.74 2.01 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 1.52 0.97 0.91 0.00 0.00 78 D 8.10 4.43 0.00 2.85 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 79 S 7.49 4.62 0.00 4.05 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 80 L 7.18 3.97 0.00 1.91 1.68 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.30 0.00 2.21 2.18 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 82 G 8.69 4.13 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 0.00 83 V 7.26 3.82 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 0.77 0.00 0.00 0.93 0.00 0.00 84 D 8.07 4.44 0.00 2.69 2.76 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 85 V 7.51 3.77 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 0.88 0.00 0.00 0.93 0.00 0.00 86 S 8.30 4.54 0.00 4.04 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 87 A 8.41 4.04 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 88 E 8.04 3.84 0.00 2.02 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 0.00 2.40 2.36 0.00 89 E 7.74 3.92 0.00 1.97 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 0.00 2.33 2.37 0.00 90 Q 7.79 4.12 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 91 L 7.68 4.05 0.00 1.83 1.72 0.92 1.18 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 92 R 7.84 4.23 0.00 1.97 2.01 0.00 3.00 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 93 K 7.89 4.48 0.00 1.84 2.04 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.41 7.81 94 I 7.78 3.93 2.01 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 1.30 0.96 0.91 0.00 0.00 95 D 7.84 4.46 0.00 2.78 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 96 M 8.01 4.14 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 97 L 9.53 4.62 0.00 1.92 1.61 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.83 4.09 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 99 K 8.59 4.00 0.00 1.76 1.67 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.47 7.81 100 K 7.86 4.27 0.00 1.92 1.84 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.76 7.81 101 L 8.56 4.01 0.00 1.88 1.67 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.11 3.56 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 0.83 0.00 0.00 0.93 0.00 0.00 103 E 8.07 3.90 0.00 1.98 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 0.00 2.29 2.37 0.00 104 V 8.12 3.74 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 0.94 0.00 0.00 1.01 0.00 0.00 105 E 8.95 4.04 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 2.30 2.35 0.00 106 D 8.27 4.82 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 0.00 107 E 8.28 4.74 0.00 2.15 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 2.38 2.24 0.00 108 K 8.05 4.03 0.00 1.99 2.00 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.47 7.81 109 I 7.80 3.68 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 1.64 0.82 0.91 0.00 0.00 110 E 8.38 3.68 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 2.41 2.37 0.00 111 A 8.30 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.64 3.59 2.04 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 1.52 0.89 0.91 0.00 0.00 113 K 8.25 3.85 0.00 1.97 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 114 K 8.43 3.89 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.60 7.81 115 K 8.53 3.93 0.00 1.77 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 116 E 8.82 3.92 0.00 2.28 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 2.33 2.46 0.00 117 K 8.48 3.83 0.00 1.76 1.97 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 118 L 8.02 3.95 0.00 1.81 1.86 0.90 0.42 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 0.00 119 L 8.13 3.90 0.00 1.87 1.87 0.92 1.11 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 0.00 120 R 8.09 3.85 0.00 2.12 1.96 0.00 3.21 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 121 H 7.98 3.97 0.00 3.15 3.52 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.87 3.55 2.12 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 0.97 0.00 0.00 1.03 0.00 0.00 123 D 8.42 4.48 0.00 2.86 2.72 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 0.00 124 S 8.33 4.01 0.00 3.81 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 0.00 125 L 8.02 3.59 0.00 1.44 0.98 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.47 3.67 1.82 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 1.68 0.40 0.94 0.00 0.00 127 E 7.55 4.12 0.00 2.04 1.97 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 2.32 2.48 0.00 128 D 7.49 4.55 0.00 2.70 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 0.00 129 F 7.80 5.08 0.00 3.02 2.96 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 0.00 130 V 9.18 4.05 2.29 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 0.73 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.