NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 A 4.1287 8.2649 123.5577 51.9489 19.8831 175.9291 36 V 4.3809 7.8733 114.8632 59.3455 34.1710 174.1925 37 F 4.8805 9.7132 123.0491 55.7704 41.9330 174.2675 38 L 5.2873 8.4759 122.6133 51.8746 44.0497 175.9689 *40 K 4.1564 8.5379 123.5446 56.1875 33.1544 175.6094 41 T 4.2308 9.1696 124.0378 63.3879 69.0362 175.2061 42 I 3.6237 8.6178 124.0489 64.0630 38.2530 176.6504 43 E 4.3332 8.2231 118.3477 56.1289 29.2939 177.6735 44 G 4.0126 8.2631 109.9182 45.1015 0.0000 174.2391 45 E 4.1073 7.8723 120.7159 56.4565 31.0361 175.3898 46 D 5.1671 8.6626 126.0331 53.8131 41.8625 175.7831 47 I 4.8404 8.4698 124.1142 59.4231 40.9750 174.6893 48 S 5.7915 8.4377 117.4847 55.9668 67.3326 173.2053 49 I 4.8764 8.2346 120.6911 59.3087 40.4956 173.3147 50 P 4.8762 0.0000 0.0000 62.1087 32.8779 175.3369 51 N 4.7961 8.4359 117.2133 50.9017 39.3969 175.5268 52 K 3.6147 9.0245 123.0385 58.4600 32.7044 176.7244 53 G 4.0546 8.8076 116.3238 45.6154 0.0000 171.9939 54 Q 4.6043 7.3304 114.9380 54.8235 32.3248 173.8817 55 K 4.5393 8.5583 125.9638 56.4625 34.2142 175.5907 56 T 5.1533 8.7677 120.9648 61.9366 72.5221 172.9646 57 I 4.9678 9.1409 127.8090 60.0678 38.8973 174.2891 58 L 5.0740 8.9238 130.4561 53.6420 43.9847 174.5383 59 H 5.4129 8.8410 125.7985 54.3709 32.9954 171.8470 60 F 5.2815 8.8917 124.3681 55.5360 41.6468 174.7035 61 W 4.9870 8.3235 119.3896 55.9647 31.8820 172.9227 62 T 4.6728 8.0853 109.5959 59.6907 70.9770 174.2952 63 S 3.7426 9.0011 117.5626 60.2651 63.2156 175.6265 64 W 4.3794 7.5196 116.7148 57.9548 28.7943 176.1528 65 C 3.5932 6.6653 119.8256 58.9816 31.3653 171.9841 66 P 4.2872 0.0000 0.0000 65.5221 30.5938 176.9276 67 P 4.2745 0.0000 0.0000 65.5263 31.2782 178.5894 68 C 4.1504 7.9255 115.2444 62.5599 27.9495 175.4921 69 K 3.9700 8.0688 120.5614 59.5941 31.8940 178.3135 70 K 4.2144 7.6226 115.5269 58.2814 32.7544 177.5334 71 E 4.2919 7.6925 119.3689 57.7480 29.8625 177.5411 72 L 3.8970 7.9213 119.4325 57.5177 41.5685 177.6162 73 P 4.3884 0.0000 0.0000 65.2372 31.2352 178.4270 74 Q 3.8973 7.9766 118.9264 59.1749 28.9328 178.2171 75 F 3.8618 8.1093 118.3752 60.0052 38.8435 177.5184 76 Q 4.3431 8.2885 119.5135 59.2805 28.9844 177.9444 77 S 4.1053 8.4272 114.5551 61.4716 62.3981 175.7930 78 F 4.1799 8.1661 123.1583 61.6185 38.8697 176.3790 79 Y 3.7581 8.0044 117.6711 60.8125 38.6599 177.5323 80 D 4.3695 8.3652 118.9056 57.1903 41.0010 178.3153 81 A 3.9807 7.9729 120.2886 52.6635 19.7389 176.8079 82 H 3.5796 7.2970 115.0914 56.6184 28.5145 172.3394 83 P 4.3370 0.0000 0.0000 64.7242 32.0258 177.3404 84 S 4.7427 7.5022 109.7852 56.5118 65.1087 172.9812 85 D 4.7065 8.6016 124.0151 54.9139 41.9360 177.2720 86 S 4.7475 7.9555 112.9190 57.9406 64.3335 173.6558 87 V 4.9250 7.6583 119.8532 61.2421 34.4051 174.2090 88 K 4.6468 9.4799 129.4556 54.5546 34.5086 174.3564 89 L 5.1980 8.8485 130.3167 54.2833 43.0081 175.8167 90 V 4.6403 8.9682 126.3722 60.1695 34.5190 174.6211 91 T 5.0027 8.6082 119.8771 61.6748 71.9379 173.2171 92 V 4.4275 8.9523 126.5772 60.9149 33.5558 173.8422 93 N 3.7032 8.9186 128.3532 52.6516 40.1140 174.9505 94 L 4.5508 8.0116 127.9334 53.1993 40.4535 177.6815 95 V 3.7032 7.5114 121.7938 63.9024 31.9214 178.7660 96 N 4.5365 8.0755 115.4360 54.7394 38.5549 175.3737 97 S 4.7676 8.0550 113.9342 58.1166 63.1352 173.4398 98 E 4.8647 7.8622 120.0270 54.1293 31.8740 175.7882 99 Q 4.0034 8.5292 121.2255 58.5657 28.9698 176.7005 100 N 4.7366 7.3669 111.5963 51.1194 39.8646 174.3587 101 Q 3.8425 8.5682 117.5972 59.2977 28.9668 177.7576 102 Q 3.9533 8.1415 120.4106 58.9857 29.0720 178.1361 103 V 3.6301 8.2409 119.3564 65.9818 31.4728 178.1389 104 V 3.6417 7.4072 117.3888 66.1375 31.4296 177.3823 105 E 3.9920 8.2986 118.4687 59.9840 29.3596 179.4022 106 D 4.4028 8.5891 118.7384 57.3203 40.9164 178.6738 107 F 4.1049 8.5545 121.1639 61.4198 39.4590 177.2316 108 I 3.7055 8.3632 119.7222 64.1672 36.9181 178.2753 109 K 3.8284 8.0922 120.1084 59.6401 31.8947 178.6953 110 A 3.9898 8.3750 119.8340 54.6919 18.3439 178.3265 111 N 4.4193 7.7370 111.9791 51.8250 39.4177 175.1189 112 K 3.6974 7.5973 119.0415 57.1542 30.3437 175.6639 113 L 4.1274 7.6774 117.8699 54.7248 42.0574 177.6656 114 T 4.2912 8.7080 119.8556 63.0005 70.4045 174.6123 115 F 2.9941 6.5266 115.8556 54.8585 38.9990 173.0358 116 P 4.8899 0.0000 0.0000 62.4419 32.3369 175.5004 117 I 5.1342 8.6606 125.0106 59.4726 40.5128 174.6274 118 V 4.6349 9.2637 127.1538 60.9885 34.3420 174.0884 119 L 4.6325 8.3512 127.2227 53.0764 42.2293 177.4684 120 D 4.6267 8.5885 127.2329 53.2463 39.7809 176.9164 121 S 4.1567 7.8703 118.1227 61.1210 63.5432 176.0412 122 K 4.2091 8.0567 116.5480 55.9334 32.4382 177.3742 123 G 3.9852 7.9276 106.4165 45.2803 0.0000 174.7234 124 E 4.1728 8.0773 121.2917 59.2484 29.9416 179.5132 125 L 4.0413 8.0204 114.6614 55.5614 41.3131 178.5274 *127 K 4.1429 8.1729 121.7217 56.4773 33.6365 177.5951 128 E 3.7914 8.7334 118.2383 58.7102 29.5875 176.7823 129 Y 4.1284 7.8687 113.6716 56.8933 38.5103 175.1231 130 H 3.9778 7.3021 115.8880 56.7940 26.7715 175.8472 131 I 3.9982 7.4491 118.6830 61.0924 37.4598 176.4378 132 I 4.4777 8.3462 125.0267 60.9562 39.5107 175.8479 133 T 4.7479 7.7452 115.6441 61.3718 71.7092 173.1190 134 I 4.7417 7.8808 116.7558 58.3487 40.8455 173.3571 135 P 4.8517 0.0000 0.0000 62.4602 32.8846 175.3255 136 T 5.1038 8.3728 117.7624 62.1056 72.9253 173.0443 137 S 5.3659 9.2581 121.3606 56.8542 67.2831 173.0970 138 F 5.4133 9.5141 121.3342 55.6654 43.3091 173.7451 139 L 4.9355 8.4772 124.1344 53.5506 43.6487 175.0580 140 L 5.3147 9.0648 127.1275 53.0485 44.8707 176.7964 141 N 5.0256 8.5588 120.0676 51.5956 39.2024 175.6304 142 E 4.1424 8.6784 116.6384 58.9082 29.4432 178.0978 143 K 4.2492 8.2425 116.1658 55.8994 32.5894 177.2739 144 G 4.0032 8.3617 107.5873 45.4864 0.0000 173.7561 145 E 4.1318 8.3878 119.9602 55.7023 30.1184 176.3350 146 I 4.4722 8.1856 123.9763 61.0942 37.2466 175.4695 147 E 4.2951 9.2374 126.5906 58.1093 30.2543 177.5740 148 K 4.6418 7.5954 117.0016 54.6593 36.4390 175.5309 149 T 5.0443 8.5906 119.0843 61.6563 72.0749 173.2344 150 K 4.5552 9.4015 127.1301 54.8142 35.2380 174.6451 151 I 4.5733 8.3841 128.9258 61.2236 38.3529 175.7928 152 G 3.7836 9.0568 113.5599 43.6950 0.0000 170.7574 153 P 4.7701 0.0000 0.0000 61.8067 32.1003 176.3872 *155 T 3.9314 8.0600 108.0330 61.5893 70.8781 174.3362 156 A 3.7093 8.2373 123.2207 55.0550 18.3295 179.4304 157 E 4.2046 7.8334 115.2000 57.8156 30.0343 178.5235 158 Q 3.7907 7.5373 118.6343 58.5622 28.4650 178.3109 159 L 3.2780 7.0846 119.2383 57.2859 41.7160 179.1519 160 K 4.2391 7.7711 119.6315 59.4197 32.1466 178.4655 161 E 4.4728 7.9714 120.9390 58.6778 29.3592 178.8388 162 W 4.4987 8.1045 117.7288 59.8079 29.0881 178.1041 163 T 4.2662 7.8416 115.0863 65.8099 68.2390 174.4833 164 E 4.2012 8.2783 125.1483 56.5641 29.6111 176.3584 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 35 A 8.26 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.87 4.38 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 0.68 0.00 0.00 0.90 0.00 0.00 37 F 9.71 4.88 0.00 3.04 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 38 L 8.48 5.29 0.00 1.53 1.59 0.93 1.00 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 *40 K 8.54 4.16 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.57 7.81 41 T 9.17 4.23 4.51 0.00 0.00 0.00 0.00 0.00 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 42 I 8.62 3.62 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 1.32 0.63 0.91 0.00 0.00 43 E 8.22 4.33 0.00 2.11 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 2.32 2.32 0.00 44 G 8.26 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 0.00 0.00 0.00 45 E 7.87 4.11 0.00 2.10 1.86 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 2.42 2.39 0.00 46 D 8.66 5.17 0.00 2.63 2.63 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 47 I 8.47 4.84 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.96 0.00 0.00 48 S 8.44 5.79 0.00 3.91 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 49 I 8.23 4.88 2.16 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 1.45 1.08 1.01 0.00 0.00 50 P 0.00 4.88 0.00 2.12 2.15 0.00 3.56 0.00 0.00 3.78 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 51 N 8.44 4.80 0.00 2.81 2.83 0.00 0.00 6.86 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 52 K 9.02 3.61 0.00 1.73 1.79 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 53 G 8.81 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 54 Q 7.33 4.60 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 55 K 8.56 4.54 0.00 2.09 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.59 1.42 7.81 56 T 8.77 5.15 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 1.34 0.00 0.00 57 I 9.14 4.97 2.13 0.00 0.00 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 1.43 0.87 1.21 0.00 0.00 58 L 8.92 5.07 0.00 1.78 1.68 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.84 5.41 0.00 3.16 2.82 0.00 5.79 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.89 5.28 0.00 2.93 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 61 W 8.32 4.99 0.00 3.34 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 62 T 8.09 4.67 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 0.99 0.00 0.00 63 S 9.00 3.74 0.00 2.72 3.20 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 64 W 7.52 4.38 0.00 3.56 3.22 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 65 C 6.67 3.59 0.00 2.14 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 66 P 0.00 4.29 0.00 2.23 2.14 0.00 3.68 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 67 P 0.00 4.27 0.00 2.13 2.08 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 68 C 7.93 4.15 0.00 3.15 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 69 K 8.07 3.97 0.00 1.99 2.04 0.00 1.92 0.00 0.00 1.87 0.00 0.00 3.39 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.76 7.81 70 K 7.62 4.21 0.00 1.94 1.93 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.44 7.81 71 E 7.69 4.29 0.00 2.22 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 0.00 2.43 2.36 0.00 72 L 7.92 3.90 0.00 1.93 1.70 0.18 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.39 0.00 2.16 2.11 0.00 3.63 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 2.12 2.14 0.00 74 Q 7.98 3.90 0.00 2.25 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 75 F 8.11 3.86 0.00 2.64 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 0.00 0.00 0.00 76 Q 8.29 4.34 0.00 2.49 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 77 S 8.43 4.11 0.00 3.93 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 78 F 8.17 4.18 0.00 2.93 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 79 Y 8.00 3.76 0.00 3.12 3.32 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 80 D 8.37 4.37 0.00 2.92 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 81 A 7.97 3.98 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 82 H 7.30 3.58 0.00 2.89 3.13 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.34 0.00 2.15 2.13 0.00 3.17 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 84 S 7.50 4.74 0.00 3.80 3.70 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 85 D 8.60 4.71 0.00 2.70 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 86 S 7.96 4.75 0.00 3.95 4.09 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 87 V 7.66 4.92 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 0.97 0.00 0.00 1.01 0.00 0.00 88 K 9.48 4.65 0.00 1.97 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 89 L 8.85 5.20 0.00 2.06 1.86 1.32 1.15 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 90 V 8.97 4.64 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 0.77 0.00 0.00 0.89 0.00 0.00 91 T 8.61 5.00 4.86 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 1.86 0.00 0.00 92 V 8.95 4.43 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 0.00 0.00 0.79 0.00 0.00 0.34 0.00 0.00 93 N 8.92 3.70 0.00 1.81 2.24 0.00 0.00 6.80 6.54 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 94 L 8.01 4.55 0.00 1.62 1.55 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.51 3.70 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 0.83 0.00 0.00 0.89 0.00 0.00 96 N 8.08 4.54 0.00 2.74 2.91 0.00 0.00 6.82 7.57 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 97 S 8.06 4.77 0.00 4.09 4.16 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 98 E 7.86 4.86 0.00 2.09 1.87 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 2.40 2.39 0.00 99 Q 8.53 4.00 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 100 N 7.37 4.74 0.00 2.94 2.89 0.00 0.00 5.73 7.44 0.00 0.00 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 Q 8.57 3.84 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 102 Q 8.14 3.95 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 103 V 8.24 3.63 2.28 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 1.08 0.00 0.00 1.00 0.00 0.00 104 V 7.41 3.64 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 1.10 0.00 0.00 0.95 0.00 0.00 105 E 8.30 3.99 0.00 2.30 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 2.36 2.46 0.00 106 D 8.59 4.40 0.00 2.89 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 0.00 107 F 8.55 4.10 0.00 3.31 3.35 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 0.00 108 I 8.36 3.71 2.08 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 1.70 1.25 0.89 0.00 0.00 109 K 8.09 3.83 0.00 1.97 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 110 A 8.38 3.99 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 0.00 111 N 7.74 4.42 0.00 2.28 2.55 0.00 0.00 7.17 7.12 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 0.00 112 K 7.60 3.70 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.32 7.81 113 L 7.68 4.13 0.00 1.35 0.88 0.81 0.40 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 0.00 114 T 8.71 4.29 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 1.36 0.00 0.00 115 F 6.53 2.99 0.00 2.76 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 0.00 0.00 0.00 0.00 116 P 0.00 4.89 0.00 2.26 2.08 0.00 3.89 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.04 0.00 117 I 8.66 5.13 1.94 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 1.50 0.91 1.11 0.00 0.00 118 V 9.26 4.63 2.15 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 0.72 0.00 0.00 0.93 0.00 0.00 119 L 8.35 4.63 0.00 1.51 1.54 0.84 1.02 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 0.00 120 D 8.59 4.63 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.87 4.16 0.00 3.90 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 0.00 122 K 8.06 4.21 0.00 1.78 1.87 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.39 7.81 123 G 7.93 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 0.00 124 E 8.08 4.17 0.00 2.13 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 0.00 2.47 2.40 0.00 125 L 8.02 4.04 0.00 2.09 1.89 0.77 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 *127 K 8.17 4.14 0.00 1.91 2.07 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 128 E 8.73 3.79 0.00 2.02 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 2.21 1.47 0.00 129 Y 7.87 4.13 0.00 2.90 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 0.00 130 H 7.30 3.98 0.00 3.23 3.33 0.00 5.84 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 0.00 131 I 7.45 4.00 1.58 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.74 0.00 0.00 132 I 8.35 4.48 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 1.60 0.90 0.92 0.00 0.00 133 T 7.75 4.75 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 0.00 134 I 7.88 4.74 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.88 0.00 0.00 135 P 0.00 4.85 0.00 2.16 2.15 0.00 3.80 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 2.13 1.94 0.00 136 T 8.37 5.10 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 0.82 0.00 0.00 137 S 9.26 5.37 0.00 3.80 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 0.00 138 F 9.51 5.41 0.00 2.93 2.91 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 0.00 139 L 8.48 4.94 0.00 0.47 1.10 0.69 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.06 5.31 0.00 1.63 1.59 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.56 5.03 0.00 2.97 3.21 0.00 0.00 6.99 7.21 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 0.00 142 E 8.68 4.14 0.00 1.99 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 2.49 2.35 0.00 143 K 8.24 4.25 0.00 1.84 1.84 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 144 G 8.36 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 0.00 145 E 8.39 4.13 0.00 2.22 1.87 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 2.32 2.28 0.00 146 I 8.19 4.47 1.93 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 1.45 0.49 1.15 0.00 0.00 147 E 9.24 4.30 0.00 1.73 1.87 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 2.27 2.24 0.00 148 K 7.60 4.64 0.00 0.79 1.27 0.00 1.45 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.83 0.21 7.81 149 T 8.59 5.04 4.33 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 1.17 0.00 0.00 150 K 9.40 4.56 0.00 2.02 1.64 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.30 7.81 151 I 8.38 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 1.23 0.70 0.90 0.00 0.00 152 G 9.06 3.78 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 0.00 0.00 0.00 153 P 0.00 4.77 0.00 2.01 2.02 0.00 3.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 *155 T 8.06 3.93 4.10 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 1.10 0.00 0.00 156 A 8.24 3.71 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 0.00 157 E 7.83 4.20 0.00 1.90 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 2.32 2.29 0.00 158 Q 7.54 3.79 0.00 1.74 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 159 L 7.08 3.28 0.00 0.80 0.13 -0.59 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.77 4.24 0.00 2.03 2.06 0.00 1.67 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.53 7.81 161 E 7.97 4.47 0.00 2.17 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 2.52 2.38 0.00 162 W 8.10 4.50 0.00 3.35 3.19 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 0.00 163 T 7.84 4.27 4.53 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 0.00 0.00 0.00 1.28 0.00 0.00 164 E 8.28 4.20 0.00 2.22 1.87 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 2.35 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.