NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 48 D 4.4002 8.3649 120.3062 52.8938 41.6221 175.1925 *50 K 4.2226 7.5138 119.7007 55.6669 34.2214 174.2719 51 T 4.9117 9.4296 120.6647 61.9871 70.9568 173.5943 52 I 4.9099 8.6138 127.0652 59.3256 40.4948 174.8158 53 A 4.8301 8.7175 129.5545 51.4564 20.3650 175.9147 54 I 4.7561 8.9944 121.3656 59.5251 40.5442 174.8650 55 A 4.4197 9.2513 129.6387 49.8666 19.6146 172.6278 56 D 5.0825 8.1027 119.1056 52.5501 42.1665 176.3032 57 R 4.1279 9.0511 128.9044 59.3833 30.1403 177.9713 58 T 3.9555 8.3871 108.4650 62.1430 69.1509 175.5172 59 G 3.8948 7.8559 108.2525 46.0541 0.0000 173.9925 60 E 3.8409 8.0109 121.3300 57.9999 29.9141 177.0254 61 Y 4.3317 7.9550 115.8765 58.8926 39.3591 177.3913 62 E 4.0681 8.5595 120.8158 59.1777 29.7651 178.4139 63 Q 4.1669 7.9903 114.8028 58.1696 28.6099 176.8266 64 L 3.9423 7.8880 117.8934 55.4338 41.9256 176.4180 65 F 4.2080 7.6312 118.2266 55.5298 39.5515 175.2725 66 K 4.7670 8.2955 125.0099 54.6075 34.3123 177.0922 67 E 4.6355 8.6415 121.0241 55.5800 28.8982 176.8230 68 N 4.6459 8.2513 116.3597 53.0882 37.0929 173.4399 69 D 4.4982 8.5530 115.2462 55.6670 40.2488 177.1149 70 E 3.9357 8.1401 118.2620 57.1465 29.9737 176.3831 71 F 5.0556 7.6874 115.9559 55.5627 42.8955 174.3779 72 R 4.7408 8.9541 122.5646 54.3975 32.6657 174.7036 73 F 5.3264 9.3408 123.2232 55.9005 41.0950 175.6159 74 V 4.6881 8.6081 115.4749 59.5747 36.3625 174.1027 75 H 4.7775 8.8762 122.3058 55.5368 30.5638 174.7533 76 A 4.3529 8.7673 128.7493 52.7134 18.2926 177.0779 77 E 4.5235 9.3703 121.3810 56.0248 30.9228 175.7917 78 K 4.5097 7.1588 117.0108 53.5783 35.9935 176.1544 79 T 4.2024 8.4727 111.2430 60.9459 70.8319 175.5746 80 A 4.0676 7.7691 123.4117 55.6475 18.3132 180.0359 81 E 3.8580 8.0091 116.4044 59.4218 29.3253 179.3209 82 E 3.9257 7.9984 117.8781 59.5729 29.5941 178.5807 83 Y 4.5151 7.9542 115.9656 61.0940 37.9980 178.3746 84 R 4.1660 8.0532 118.7160 59.3146 30.3641 180.2124 85 K 4.3613 7.8976 116.9275 55.5092 32.6705 177.1548 *87 G 3.5632 7.5403 106.5579 44.9342 0.0000 174.5743 88 A 3.4742 7.2498 121.3255 54.9365 18.0257 179.7384 89 D 4.2511 7.8225 115.6967 57.5386 40.9547 178.7729 90 K 4.2111 7.7748 117.2162 59.0432 32.5498 179.0497 91 S 4.4682 8.2195 113.9226 59.3658 63.1531 175.5638 92 G 3.9113 8.2007 108.7048 45.3431 0.0000 172.7656 93 I 4.5621 7.4461 111.4951 58.9551 40.3858 174.9787 94 D 4.9261 8.8960 120.4392 55.8877 42.6392 176.0844 95 A 4.6566 7.2949 117.7974 51.1550 22.8191 175.2817 96 V 4.6679 8.5694 118.8903 59.8028 34.8889 174.4659 97 L 4.8944 9.0311 126.4523 53.8304 43.7205 174.6568 98 E 5.1746 9.2650 126.9800 54.7142 32.0829 175.1744 99 I 4.8801 8.9128 125.5757 59.8305 40.1941 176.1261 100 R 4.3183 9.0056 128.0313 58.2061 30.9703 176.0064 101 Q 4.5515 8.0727 113.3581 54.4377 31.4686 172.7380 102 D 4.5365 8.7876 116.9791 54.8534 40.9717 177.4287 103 L 4.4598 9.2197 127.2003 56.5506 42.0045 178.4286 104 L 4.2016 8.3971 118.8827 57.2091 41.9506 178.1125 105 E 4.0608 8.3815 118.7361 58.6008 29.9826 176.0065 106 D 4.5680 8.2905 119.7765 51.8827 41.8717 173.3674 107 P 4.4175 0.0000 0.0000 63.8719 31.6852 177.0183 108 N 4.5226 8.6228 117.6389 54.4709 39.3410 174.8583 109 A 4.8052 8.0168 120.9986 53.0666 18.8301 176.8829 110 V 5.4426 7.6558 116.8902 60.9316 34.6452 174.4155 111 A 4.5709 8.2436 122.0834 51.1340 22.7242 174.8422 112 I 4.9275 7.9231 119.3624 59.6466 40.4896 174.7146 113 Y 4.6907 8.8529 123.9021 56.1950 40.8239 175.0904 114 G 4.2922 8.4467 109.0741 44.6318 0.0000 172.2370 115 Y 4.3243 8.0397 117.6737 59.9528 38.0314 176.7835 116 K 4.6247 7.7150 116.6452 53.8560 34.9979 175.3388 117 Q 4.0635 8.4509 121.6105 56.2100 29.3022 175.5316 118 L 4.5575 8.2293 125.4375 52.5836 43.4700 174.8210 119 P 4.3875 0.0000 0.0000 62.5292 32.0611 177.2656 120 A 4.0548 8.6797 121.7075 55.5748 18.0347 180.2676 121 S 4.2673 8.1885 113.3623 61.7518 62.8355 176.5894 122 V 3.5783 7.7861 120.7849 66.2782 31.3378 178.3560 123 S 4.1490 7.9652 113.3281 61.2111 63.0085 175.8479 124 N 4.2981 8.7809 120.6332 56.4882 38.3109 176.7888 125 H 4.1948 8.5721 119.8768 59.3095 29.8890 177.4732 126 I 3.8146 7.8787 121.6384 64.5387 36.9656 178.5007 127 S 4.0732 8.6134 116.3517 61.6811 62.5628 176.8906 128 R 3.9002 8.1957 121.3824 59.2139 29.7037 178.4663 129 I 3.5038 7.5877 119.6519 64.3594 36.9986 178.3654 130 L 3.9085 7.9543 119.6528 57.8955 41.4041 179.7017 131 S 4.1025 8.3898 115.4034 61.7630 62.7948 176.4461 132 D 4.3330 8.3693 121.8036 57.5930 40.5514 178.4300 133 Y 4.0199 7.7832 119.5590 60.7925 38.7808 178.0114 134 L 3.9734 8.4048 120.3071 57.7575 41.6946 179.6894 135 S 4.0832 8.2831 115.3410 61.6868 62.7718 176.4022 136 D 4.2854 7.9629 121.5313 57.1904 40.3023 178.8869 137 K 3.7410 7.6039 119.0298 59.2314 32.4819 178.5132 138 K 4.0735 8.2810 120.3561 59.5838 32.1717 178.6903 139 I 3.7450 7.8861 118.7099 63.8080 37.6948 177.4363 140 A 4.1793 7.9058 120.6395 54.0438 18.2647 178.8578 141 S 4.2818 7.7945 111.6735 59.1251 63.8675 174.2278 142 Y 4.0126 7.4281 124.0535 57.8415 39.3818 175.8284 143 N 4.6209 7.5328 125.5506 51.9805 37.7121 173.1279 144 I 4.6117 7.3316 120.7973 58.1516 40.3962 175.2023 145 P 4.3153 0.0000 0.0000 65.0234 31.4615 176.6385 146 D 4.9533 7.8017 117.6330 52.7770 40.0825 178.0087 147 I 3.7067 7.9068 122.9132 65.0819 37.8213 177.4593 148 K 4.0579 7.9718 119.0298 59.2215 31.9701 178.8065 149 Q 3.9663 8.0580 119.4374 59.3193 29.0525 178.4654 150 I 3.7029 7.7130 120.6575 64.3459 36.9356 178.4581 151 L 3.9528 8.1935 118.7823 57.6969 41.6604 179.1894 152 A 4.1265 8.1249 120.6871 55.3582 18.1462 179.4483 153 D 4.3534 8.5419 116.4811 57.0832 40.9607 178.3279 154 S 4.5387 7.5941 112.9117 57.4586 63.6067 174.4556 155 K 4.0932 7.1835 124.1658 56.2913 32.4430 176.0252 156 I 4.5951 8.1316 125.8580 59.6552 40.5082 175.1587 157 E 4.4671 8.4607 123.2649 54.6284 31.0364 174.9944 158 L 4.4231 8.1355 123.0881 54.1533 42.8987 177.7473 159 S 4.5023 7.9517 116.7205 55.8326 63.2395 172.5959 160 V 3.5438 7.8311 122.0008 62.7673 31.9985 175.5480 161 H 4.1845 8.5432 124.8041 55.9147 29.2119 174.7336 162 T 4.3555 7.7999 119.9125 61.8048 70.8367 173.1377 163 Y 4.7727 7.8793 121.4053 56.0294 41.9807 174.3961 164 K 4.4197 8.4574 122.4872 54.2323 33.5046 176.4778 165 W 4.5909 8.6917 126.3257 56.6998 29.6669 176.1071 166 S 4.4197 8.5489 115.1654 58.2945 63.2587 173.7836 167 E 4.3933 8.5321 121.6545 56.0391 30.1169 176.3272 168 D 4.8181 8.5100 119.9681 53.1710 41.3927 176.3879 169 G 3.7166 8.0301 113.3487 45.8386 0.0000 173.3634 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 48 D 8.36 4.40 0.00 2.73 2.82 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 *50 K 7.51 4.22 0.00 1.88 1.85 0.00 1.69 0.00 0.00 2.12 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.49 7.81 51 T 9.43 4.91 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 1.16 0.00 0.00 52 I 8.61 4.91 1.62 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 0.89 1.07 0.90 0.00 0.00 53 A 8.72 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.99 4.76 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.66 0.79 0.00 0.00 55 A 9.25 4.42 1.27 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 0.00 0.00 56 D 8.10 5.08 0.00 2.86 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 57 R 9.05 4.13 0.00 1.87 2.21 0.00 3.56 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 58 T 8.39 3.96 4.19 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 1.33 0.00 0.00 59 G 7.86 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 E 8.01 3.84 0.00 1.57 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 1.66 2.04 0.00 61 Y 7.96 4.33 0.00 3.24 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 62 E 8.56 4.07 0.00 2.05 1.99 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 2.45 2.35 0.00 63 Q 7.99 4.17 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 64 L 7.89 3.94 0.00 1.03 1.15 0.53 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.63 4.21 0.00 2.75 1.71 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 66 K 8.30 4.77 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 67 E 8.64 4.64 0.00 2.04 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 2.43 2.32 0.00 68 N 8.25 4.65 0.00 2.84 3.02 0.00 0.00 6.30 8.06 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 69 D 8.55 4.50 0.00 2.71 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 70 E 8.14 3.94 0.00 1.16 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 2.02 2.05 0.00 71 F 7.69 5.06 0.00 2.87 2.30 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 72 R 8.95 4.74 0.00 1.60 1.78 0.00 3.26 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 73 F 9.34 5.33 0.00 3.04 2.97 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 74 V 8.61 4.69 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 0.69 0.00 0.00 0.94 0.00 0.00 75 H 8.88 4.78 0.00 3.18 3.27 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.77 4.35 1.35 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 77 E 9.37 4.52 0.00 2.00 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 2.35 2.45 0.00 78 K 7.16 4.51 0.00 0.79 1.15 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.95 0.86 7.81 79 T 8.47 4.20 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 1.15 0.00 0.00 80 A 7.77 4.07 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 81 E 8.01 3.86 0.00 1.93 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 0.00 2.28 2.27 0.00 82 E 8.00 3.93 0.00 2.00 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 2.27 2.28 0.00 83 Y 7.95 4.52 0.00 3.06 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 84 R 8.05 4.17 0.00 1.79 2.13 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 85 K 7.90 4.36 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.62 7.81 *87 G 7.54 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.25 3.47 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 89 D 7.82 4.25 0.00 2.59 2.71 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 90 K 7.77 4.21 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 91 S 8.22 4.47 0.00 4.27 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 0.00 92 G 8.20 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 93 I 7.45 4.56 1.69 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.76 0.79 0.00 0.00 94 D 8.90 4.93 0.00 2.68 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 95 A 7.29 4.66 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 96 V 8.57 4.67 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 0.78 0.00 0.00 1.10 0.00 0.00 97 L 9.03 4.89 0.00 1.62 1.56 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 98 E 9.27 5.17 0.00 1.97 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 2.34 2.53 0.00 99 I 8.91 4.88 1.97 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 1.05 0.84 1.00 0.00 0.00 100 R 9.01 4.32 0.00 1.85 1.97 0.00 3.30 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 101 Q 8.07 4.55 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 102 D 8.79 4.54 0.00 2.77 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 0.00 103 L 9.22 4.46 0.00 1.53 1.63 0.41 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.40 4.20 0.00 1.84 1.76 0.93 1.15 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 0.00 105 E 8.38 4.06 0.00 1.94 2.21 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 2.31 2.38 0.00 106 D 8.29 4.57 0.00 2.68 2.49 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 0.00 107 P 0.00 4.42 0.00 2.20 2.14 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 108 N 8.62 4.52 0.00 2.82 2.95 0.00 0.00 6.99 8.08 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 0.00 109 A 8.02 4.81 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 0.00 110 V 7.66 5.44 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 0.63 0.00 0.00 0.89 0.00 0.00 111 A 8.24 4.57 1.09 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 0.00 112 I 7.92 4.93 1.75 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 1.27 0.63 0.89 0.00 0.00 113 Y 8.85 4.69 0.00 2.79 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 0.00 114 G 8.45 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 0.00 0.00 0.00 0.00 115 Y 8.04 4.32 0.00 3.17 3.04 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 0.00 0.00 0.00 116 K 7.71 4.62 0.00 1.78 1.75 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 117 Q 8.45 4.06 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 118 L 8.23 4.56 0.00 1.67 1.59 0.90 1.12 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 0.00 119 P 0.00 4.39 0.00 2.26 2.20 0.00 3.75 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 2.13 2.00 0.00 120 A 8.68 4.05 1.35 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 0.00 121 S 8.19 4.27 0.00 4.05 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 0.00 122 V 7.79 3.58 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 1.02 0.00 0.00 1.13 0.00 0.00 123 S 7.97 4.15 0.00 4.06 4.07 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 0.00 124 N 8.78 4.30 0.00 2.75 2.94 0.00 0.00 6.55 8.03 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 0.00 125 H 8.57 4.19 0.00 3.30 3.22 0.00 5.78 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 0.00 126 I 7.88 3.81 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 1.68 0.60 0.97 0.00 0.00 127 S 8.61 4.07 0.00 3.95 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 0.00 128 R 8.20 3.90 0.00 1.91 2.07 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 129 I 7.59 3.50 1.66 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 0.02 0.00 0.00 130 L 7.95 3.91 0.00 1.61 1.58 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.39 4.10 0.00 3.85 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 0.00 132 D 8.37 4.33 0.00 2.72 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 0.00 133 Y 7.78 4.02 0.00 2.98 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 0.00 134 L 8.40 3.97 0.00 1.78 1.72 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.28 4.08 0.00 3.97 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 0.00 136 D 7.96 4.29 0.00 2.67 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 0.00 137 K 7.60 3.74 0.00 1.32 1.79 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.33 7.81 138 K 8.28 4.07 0.00 1.92 1.90 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 139 I 7.89 3.74 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.97 0.00 0.00 140 A 7.91 4.18 1.37 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 0.00 141 S 7.79 4.28 0.00 4.06 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 0.00 142 Y 7.43 4.01 0.00 3.06 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 0.00 143 N 7.53 4.62 0.00 2.52 2.48 0.00 0.00 6.83 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 0.00 144 I 7.33 4.61 1.97 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 1.59 1.14 0.99 0.00 0.00 145 P 0.00 4.32 0.00 2.18 2.19 0.00 3.75 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 2.00 1.97 0.00 146 D 7.80 4.95 0.00 2.82 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 0.00 147 I 7.91 3.71 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 1.71 0.99 1.01 0.00 0.00 148 K 7.97 4.06 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.49 7.81 149 Q 8.06 3.97 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 150 I 7.71 3.70 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 0.98 0.90 0.00 0.00 151 L 8.19 3.95 0.00 1.55 1.71 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.12 4.13 1.38 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 0.00 0.00 153 D 8.54 4.35 0.00 2.81 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 0.00 154 S 7.59 4.54 0.00 3.89 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 0.00 155 K 7.18 4.09 0.00 1.80 1.71 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 156 I 8.13 4.60 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 1.41 0.77 0.90 0.00 0.00 157 E 8.46 4.47 0.00 1.88 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 2.19 2.30 0.00 158 L 8.14 4.42 0.00 1.61 1.56 0.91 0.86 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 0.00 159 S 7.95 4.50 0.00 3.74 3.68 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 0.00 160 V 7.83 3.54 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 0.74 0.00 0.00 0.90 0.00 0.00 161 H 8.54 4.18 0.00 3.08 2.42 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.80 4.36 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 1.07 0.00 0.00 163 Y 7.88 4.77 0.00 2.80 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 0.00 164 K 8.46 4.42 0.00 1.73 1.76 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 165 W 8.69 4.59 0.00 3.51 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 0.00 166 S 8.55 4.42 0.00 4.01 3.92 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 0.00 167 E 8.53 4.39 0.00 2.00 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 2.34 2.35 0.00 168 D 8.51 4.82 0.00 2.69 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 0.00 169 G 8.03 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 * Residues marked with a * may have inaccurate shift predictions.