NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.9774 8.2676 118.0885 52.5043 41.4809 174.3309 12 P 5.0912 0.0000 0.0000 59.8454 32.1156 173.8034 13 I 4.2267 8.5941 114.6955 59.3326 40.1959 176.1262 14 Y 4.6760 8.1980 122.1804 55.7707 40.2009 176.1451 15 F 4.2743 9.3173 124.0610 61.6794 39.3101 177.5603 16 E 3.8403 8.2640 116.0417 58.9128 29.6516 178.1628 17 S 4.2158 8.0268 115.6943 60.9574 63.1206 174.8271 18 I 4.0057 7.2327 122.2236 60.7382 37.4488 175.2365 19 Q 4.4869 9.4628 123.7304 53.5824 30.8122 175.1219 20 I 3.6598 8.2109 122.0628 63.0791 37.5264 175.5042 21 G 4.0908 8.6262 113.0250 45.6327 0.0000 174.2918 22 E 4.1555 8.0760 119.7442 56.3636 30.4346 176.1661 23 K 5.1109 8.6574 124.3685 54.6763 35.5845 174.8423 24 I 4.5294 9.1291 127.2372 59.5069 39.8666 174.0183 25 E 4.7525 8.8333 128.1952 54.4475 30.5426 175.7093 26 G 3.9359 8.6806 114.9316 45.4720 0.0000 172.3958 27 L 4.3640 8.2630 122.9521 53.3896 42.7059 174.9933 28 P 4.8324 0.0000 0.0000 63.0390 32.1414 175.8877 29 R 4.7034 8.4275 117.7392 55.1386 33.2944 174.1449 30 T 4.6534 8.4796 118.9712 62.9273 69.1296 174.9263 31 V 3.9486 8.3931 127.7720 62.0408 32.2509 175.5298 32 T 4.6928 8.8948 117.6728 59.2443 70.9438 174.1573 33 E 4.0742 8.8493 123.3473 59.8618 29.4012 178.5511 34 T 3.9360 8.0115 115.0943 66.8464 68.4762 175.9180 35 D 4.3736 8.0061 119.9735 57.4764 40.9186 178.5664 36 I 3.7584 7.9153 120.0558 64.4911 37.2207 178.5908 37 W 3.2763 8.8662 119.9278 59.6926 28.7044 178.7666 38 T 3.8046 8.2048 116.0651 66.5940 67.9432 176.4463 39 F 3.9151 8.2253 122.2946 61.0830 39.3527 176.9935 40 A 3.6388 7.8153 120.4811 55.0497 17.9527 179.1258 41 Y 4.3988 7.9882 115.5288 61.3886 37.8198 178.4478 42 L 3.9406 7.8921 120.1394 58.0773 42.2196 178.2793 43 T 4.1187 7.4488 105.7086 60.3070 69.2392 174.1096 44 A 3.8469 7.5615 123.0891 53.4240 16.8287 176.8927 45 D 4.7670 7.7011 118.9639 54.4289 42.2817 176.5153 46 F 4.2755 8.4263 129.9762 55.7268 38.0929 176.2846 47 F 4.0458 8.1155 123.5701 57.2625 40.2725 173.7979 48 P 3.8209 0.0000 0.0000 65.6286 30.4641 178.0933 49 L 4.1598 7.0639 119.9420 57.5112 42.3495 177.8639 50 H 4.7068 8.2324 115.1701 56.7888 29.5720 175.8596 51 T 4.3708 7.6340 106.1570 60.7942 69.2306 173.2237 52 D 4.7576 8.2357 122.0480 52.0402 41.9498 175.9089 53 V 3.7459 8.7376 126.6852 66.2807 31.2260 177.4068 54 E 4.0716 8.2815 116.3869 59.3186 29.8134 178.6560 55 F 4.1688 8.9313 120.6340 61.2988 39.4817 176.8670 56 A 4.2694 8.4444 120.4277 55.4116 17.8881 179.5662 57 K 4.4270 7.5223 116.2032 58.7529 32.2125 178.1046 58 K 4.2055 7.6298 115.4289 56.6695 32.1959 176.6361 59 T 4.3954 7.6129 111.0203 59.7292 70.5547 175.4044 60 I 3.7398 8.0397 120.7558 62.8005 37.9950 176.1448 61 F 4.6698 7.9745 117.1237 57.7077 40.1648 176.6597 62 G 4.4111 8.5007 113.5905 45.2725 0.0000 173.6742 63 K 5.0256 7.8496 116.5730 53.1442 34.9544 173.9794 64 P 4.7893 0.0000 0.0000 62.7263 32.1129 175.2804 65 I 4.7549 7.5377 111.7754 58.6513 40.6883 174.8980 66 A 4.1231 8.0972 124.6312 51.7831 19.1953 177.6048 67 Q 3.5838 8.1169 118.7451 54.6163 30.4068 178.9748 68 G 2.8162 7.9075 111.2977 45.4107 0.0000 175.3551 *70 L 3.2379 8.1477 122.4027 54.2883 43.8360 178.8106 71 V 3.4784 7.3536 117.6431 65.7829 31.2244 177.7311 72 L 3.9302 8.0267 120.0675 58.2098 41.9572 179.1089 73 S 4.0877 7.8706 114.5154 61.8184 62.6606 176.6515 74 I 3.6692 7.8001 121.1744 64.1472 36.8246 178.1043 75 A 4.0714 7.8348 120.8191 55.2941 18.5801 179.2055 76 L 4.0138 8.1673 117.3973 57.7051 41.5958 180.5720 77 G 3.7672 7.9481 102.1995 45.4855 0.0000 175.2938 *79 V 3.9832 7.7245 122.3608 62.5643 33.4259 177.1497 80 D 4.2536 8.0986 118.6568 57.1392 40.7500 177.8107 81 Q 4.0354 8.0498 120.3957 59.1116 28.7128 178.7085 82 V 3.5985 7.3399 118.6333 65.9299 31.9217 177.8400 83 I 4.0451 7.6872 119.0814 64.5180 36.8515 178.0800 84 L 4.0717 8.3011 119.1520 57.3237 41.4808 178.8039 85 S 4.6531 7.4647 111.1716 58.2413 63.4237 174.2209 86 N 4.7263 8.0246 117.8307 52.9610 40.4552 173.6788 87 Y 4.9216 7.4116 113.6443 56.0957 42.3173 174.2762 88 D 4.6021 8.9095 122.2408 53.6612 40.9607 176.6593 89 V 3.9338 8.2756 120.2149 61.6250 31.4192 178.6775 90 S 4.2314 8.1719 117.4085 60.7200 63.0859 175.4668 91 S 4.1532 7.8037 115.0542 59.6643 63.3416 173.5413 92 V 4.1564 7.3518 121.4873 62.4970 30.1750 176.0462 93 I 4.0415 8.4623 128.2110 63.8098 37.4542 176.0402 94 A 4.6218 7.9111 121.2274 50.7878 23.2862 175.0239 95 F 4.8193 8.8000 122.2792 57.6299 39.1498 175.4021 96 F 4.0520 9.6273 129.5211 59.3889 39.4535 175.5259 97 G 3.9218 7.2523 101.7244 46.2194 0.0000 170.6102 98 I 5.1141 8.2934 119.8424 59.5748 39.2776 176.1008 99 K 4.2486 9.7284 129.7950 58.5867 32.9869 176.2171 100 D 4.5211 7.7102 115.8149 53.5688 44.4917 174.9058 101 V 4.6705 8.2932 123.7602 61.4850 34.8803 173.9881 102 R 4.3227 8.7831 127.0347 54.3806 33.1188 174.9483 103 F 4.4600 8.5538 123.5695 56.7114 38.5170 176.0310 104 L 4.2661 8.8563 124.1232 56.9487 41.6921 177.5865 105 R 4.7551 7.8183 116.6517 53.4348 33.1704 172.8582 106 P 4.3704 0.0000 0.0000 62.4729 32.8845 175.3762 107 V 4.3021 7.7779 121.1115 61.3780 33.4857 174.9217 108 F 4.9233 9.4751 127.2198 56.1665 40.4755 177.1141 109 I 3.6617 8.9102 121.5876 63.9868 36.9671 177.1489 110 G 4.0818 7.9725 106.0277 45.0566 0.0000 173.1663 111 D 5.1221 8.2950 120.8462 54.1117 42.4283 175.7193 112 T 4.9239 8.5255 118.1489 62.0066 70.8540 173.2396 113 I 4.7248 8.2214 120.6739 59.5785 40.3972 174.7193 114 A 4.9386 8.8916 124.7068 50.2787 22.4445 174.9203 115 A 5.3940 8.6730 123.2639 50.2021 22.7950 175.2733 116 S 5.2254 9.3858 113.5298 56.6568 67.1316 172.7974 117 A 5.3575 9.0361 123.0136 50.2617 22.3427 174.5818 118 E 5.0606 9.2555 122.1621 54.0849 33.5090 174.9082 119 V 3.8139 8.7103 127.3694 63.1767 32.0000 176.3853 120 V 4.3675 8.4658 120.4417 61.1976 33.7877 175.2541 121 E 4.7256 7.5485 119.7383 55.1310 33.0018 173.7801 122 K 5.1690 8.3600 122.9937 55.0446 36.4866 175.5542 123 Q 4.5723 9.1952 124.9822 54.3114 32.5503 173.6014 124 D 4.5299 9.0690 126.0890 55.0177 41.6815 174.5768 125 F 4.6380 8.6415 123.5225 59.2180 41.6971 174.2530 126 D 4.5208 7.9321 117.4832 52.2774 41.7654 175.0722 127 E 4.2038 8.7248 115.8892 58.3024 29.8289 177.2473 128 K 4.5125 8.2128 118.2989 56.1327 33.7912 175.0975 129 S 4.8624 7.5858 111.5903 57.7475 66.7433 174.1760 130 G 3.2696 7.8117 106.0981 44.3365 0.0000 171.6793 131 V 4.6729 8.2611 114.1088 59.4817 33.9479 175.2699 132 V 4.8022 8.5380 124.7803 61.4189 34.0885 174.2065 133 T 5.0413 8.7756 124.3227 62.0227 71.0945 172.9947 134 Y 4.9393 8.9439 123.3838 55.9260 41.6384 174.4731 135 K 4.7803 9.4139 125.0504 54.8802 34.3118 174.5810 136 L 5.2164 9.5275 131.2629 53.8061 44.3660 174.9160 137 E 5.1782 9.5818 124.9708 54.5985 33.7084 174.5520 138 V 4.9188 8.7513 124.0626 61.0034 34.6217 174.2954 139 K 5.8109 9.4836 127.0164 53.5493 36.0563 176.6178 140 N 5.0882 8.6769 122.1443 51.9499 38.9218 175.2825 141 Q 4.0789 8.3896 115.6162 58.7808 28.2656 177.8889 142 R 4.8017 8.3037 115.4222 55.7885 29.8936 178.4981 143 G 4.0059 8.1352 107.4850 46.8867 0.0000 175.0314 144 E 3.9670 7.7214 119.9022 56.2276 29.9519 176.1031 145 L 4.7438 8.3532 124.8902 54.6290 42.1438 176.3406 146 V 4.2056 8.8310 121.3603 63.1157 33.3204 176.2027 147 L 5.1822 7.6107 120.2790 53.9460 45.7695 174.5539 148 T 5.2711 8.4981 117.5594 60.8145 71.2777 172.2446 149 A 5.6204 8.6918 127.0466 51.9491 23.6907 174.7361 150 L 5.4295 8.5438 120.7094 53.5343 45.0441 174.8611 151 Y 5.6239 8.8043 123.7175 55.4808 42.3271 174.2726 152 S 5.9555 9.9907 113.8446 55.8017 67.0626 172.6270 153 A 5.3127 8.7672 122.3193 50.2015 22.7967 174.6220 154 L 4.7598 8.9177 123.4284 53.6899 43.6851 175.3568 155 I 4.8988 8.1409 120.2744 58.6065 40.6953 175.2039 156 R 4.4902 9.1757 125.5560 56.8680 31.1087 175.6458 157 K 5.1093 8.7556 124.6814 55.1784 33.8508 176.9686 158 T 2.8170 8.2227 119.3329 62.9045 68.9521 172.9182 159 P 4.3600 0.0000 0.0000 63.1689 31.3135 176.1632 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 11 N 8.27 4.98 0.00 2.78 3.05 0.00 0.00 6.77 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 12 P 0.00 5.09 0.00 1.75 1.93 0.00 3.39 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 13 I 8.59 4.23 1.58 0.00 0.00 0.42 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 0.46 0.16 0.00 0.00 14 Y 8.20 4.68 0.00 3.13 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 15 F 9.32 4.27 0.00 3.19 3.17 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 0.00 0.00 0.00 16 E 8.26 3.84 0.00 2.09 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 2.29 0.00 17 S 8.03 4.22 0.00 4.00 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 18 I 7.23 4.01 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.77 0.00 0.00 19 Q 9.46 4.49 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.21 3.66 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.40 0.86 0.00 0.00 21 G 8.63 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 0.00 0.00 0.00 22 E 8.08 4.16 0.00 1.96 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 2.32 2.51 0.00 23 K 8.66 5.11 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.67 7.81 24 I 9.13 4.53 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.94 0.00 0.00 25 E 8.83 4.75 0.00 1.95 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 2.21 2.36 0.00 26 G 8.68 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 27 L 8.26 4.36 0.00 1.61 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.83 0.00 1.98 1.97 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.43 4.70 0.00 1.80 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.48 4.65 4.25 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 1.31 0.00 0.00 31 V 8.39 3.95 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 0.67 0.00 0.00 0.89 0.00 0.00 32 T 8.89 4.69 4.25 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 1.29 0.00 0.00 33 E 8.85 4.07 0.00 2.04 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 1.97 2.10 0.00 34 T 8.01 3.94 4.26 0.00 0.00 0.00 0.00 0.00 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 35 D 8.01 4.37 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 36 I 7.92 3.76 2.32 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.97 0.70 0.00 0.00 37 W 8.87 3.28 0.00 3.36 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 38 T 8.20 3.80 4.45 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 0.00 0.00 0.00 1.29 0.00 0.00 39 F 8.23 3.92 0.00 3.14 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 40 A 7.82 3.64 0.09 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 41 Y 7.99 4.40 0.00 3.12 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 42 L 7.89 3.94 0.00 1.63 1.62 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.45 4.12 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 0.40 0.00 0.00 44 A 7.56 3.85 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.70 4.77 0.00 2.64 2.45 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 0.00 0.00 0.00 0.00 46 F 8.43 4.28 0.00 2.97 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 47 F 8.12 4.05 0.00 3.23 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 48 P 0.00 3.82 0.00 0.49 1.63 0.00 2.33 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 49 L 7.06 4.16 0.00 1.89 1.70 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.23 4.71 0.00 3.04 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.63 4.37 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 -0.38 0.00 0.00 52 D 8.24 4.76 0.00 2.62 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 53 V 8.74 3.75 2.18 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.28 4.07 0.00 2.15 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 0.00 2.36 2.46 0.00 55 F 8.93 4.17 0.00 3.07 3.12 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 56 A 8.44 4.27 1.55 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 0.00 0.00 57 K 7.52 4.43 0.00 1.97 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 58 K 7.63 4.21 0.00 1.51 1.69 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.29 7.81 59 T 7.61 4.40 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 60 I 8.04 3.74 1.66 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 1.10 0.65 0.08 0.00 0.00 61 F 7.97 4.67 0.00 3.23 3.27 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 62 G 8.50 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 5.03 0.00 2.04 1.90 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.18 7.81 64 P 0.00 4.79 0.00 2.32 2.19 0.00 3.85 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 2.14 2.11 0.00 65 I 7.54 4.75 1.48 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.45 0.28 0.00 0.00 66 A 8.10 4.12 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 67 Q 8.12 3.58 0.00 1.46 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.16 0.00 0.00 0.00 0.00 0.00 2.24 1.53 0.00 68 G 7.91 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 0.00 0.00 0.00 *70 L 8.15 3.24 0.00 0.47 1.35 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.35 3.48 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 0.92 0.00 0.00 0.83 0.00 0.00 72 L 8.03 3.93 0.00 1.96 1.66 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.87 4.09 0.00 3.99 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 74 I 7.80 3.67 1.81 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 1.42 0.55 0.88 0.00 0.00 75 A 7.83 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.17 4.01 0.00 1.56 1.46 0.86 0.31 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 77 G 7.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.98 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 0.92 0.00 0.00 0.94 0.00 0.00 80 D 8.10 4.25 0.00 2.82 2.57 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 0.00 0.00 0.00 0.00 81 Q 8.05 4.04 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.34 3.60 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 0.91 0.00 0.00 0.99 0.00 0.00 83 I 7.69 4.05 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.73 1.01 0.00 0.00 84 L 8.30 4.07 0.00 1.84 1.74 0.91 0.91 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 85 S 7.46 4.65 0.00 3.94 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 86 N 8.02 4.73 0.00 2.37 1.98 0.00 0.00 6.65 6.91 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 87 Y 7.41 4.92 0.00 2.90 2.81 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 0.00 0.00 0.00 88 D 8.91 4.60 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 3.93 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 0.89 0.00 0.00 0.93 0.00 0.00 90 S 8.17 4.23 0.00 3.99 4.04 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 91 S 7.80 4.15 0.00 3.82 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 92 V 7.35 4.16 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 0.74 0.00 0.00 0.89 0.00 0.00 93 I 8.46 4.04 2.05 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 1.30 0.86 0.94 0.00 0.00 94 A 7.91 4.62 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 4.82 0.00 3.03 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 96 F 9.63 4.05 0.00 3.16 3.25 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 97 G 7.25 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 0.00 0.00 0.00 98 I 8.29 5.11 1.86 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 1.35 0.54 1.04 0.00 0.00 99 K 9.73 4.25 0.00 1.76 1.87 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.41 7.81 100 D 7.71 4.52 0.00 2.70 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 4.67 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 0.24 0.00 0.00 0.87 0.00 0.00 102 R 8.78 4.32 0.00 1.64 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 103 F 8.55 4.46 0.00 2.95 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 0.00 104 L 8.86 4.27 0.00 1.83 1.75 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.82 4.76 0.00 1.74 1.79 0.00 3.35 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 106 P 0.00 4.37 0.00 1.41 1.87 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.22 0.00 107 V 7.78 4.30 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 0.95 0.00 0.00 0.87 0.00 0.00 108 F 9.48 4.92 0.00 3.29 2.95 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 0.00 109 I 8.91 3.66 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 0.96 0.00 0.00 110 G 7.97 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 0.00 111 D 8.29 5.12 0.00 2.77 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 0.00 112 T 8.53 4.92 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 113 I 8.22 4.72 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.90 0.00 0.00 114 A 8.89 4.94 1.22 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 0.00 0.00 115 A 8.67 5.39 1.22 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 0.00 0.00 116 S 9.39 5.23 0.00 3.82 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 0.00 117 A 9.04 5.36 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 0.00 118 E 9.26 5.06 0.00 2.01 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 2.16 2.22 0.00 119 V 8.71 3.81 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 0.54 0.00 0.00 0.70 0.00 0.00 120 V 8.47 4.37 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 0.69 0.00 0.00 0.89 0.00 0.00 121 E 7.55 4.73 0.00 1.95 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 2.25 2.30 0.00 122 K 8.36 5.17 0.00 1.55 1.63 0.00 1.58 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.26 7.81 123 Q 9.20 4.57 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 124 D 9.07 4.53 0.00 2.78 2.57 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 0.00 0.00 0.00 0.00 125 F 8.64 4.64 0.00 2.67 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 0.00 126 D 7.93 4.52 0.00 2.76 2.54 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 0.00 0.00 0.00 0.00 127 E 8.72 4.20 0.00 2.09 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 0.00 2.28 2.27 0.00 128 K 8.21 4.51 0.00 2.02 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.59 4.86 0.00 3.94 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 0.00 130 G 7.81 3.27 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 0.00 131 V 8.26 4.67 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 -0.31 0.00 0.00 0.82 0.00 0.00 132 V 8.54 4.80 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 0.34 0.00 0.00 1.07 0.00 0.00 133 T 8.78 5.04 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 1.16 0.00 0.00 134 Y 8.94 4.94 0.00 1.62 2.52 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 0.00 135 K 9.41 4.78 0.00 1.73 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.53 5.22 0.00 2.04 1.77 1.08 0.72 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 0.00 137 E 9.58 5.18 0.00 1.87 1.79 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 2.22 2.24 0.00 138 V 8.75 4.92 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 1.05 0.00 0.00 0.93 0.00 0.00 139 K 9.48 5.81 0.00 1.66 1.70 0.00 2.03 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.20 7.81 140 N 8.68 5.09 0.00 2.98 3.02 0.00 0.00 6.00 7.09 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 0.00 141 Q 8.39 4.08 0.00 2.19 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 142 R 8.30 4.80 0.00 2.04 2.18 0.00 2.93 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 143 G 8.14 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 0.00 144 E 7.72 3.97 0.00 2.20 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 2.36 2.45 0.00 145 L 8.35 4.74 0.00 1.60 1.62 1.01 0.96 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 0.00 146 V 8.83 4.21 2.23 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 0.70 0.00 0.00 0.97 0.00 0.00 147 L 7.61 5.18 0.00 1.73 1.45 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.50 5.27 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 1.16 0.00 0.00 149 A 8.69 5.62 1.28 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 0.00 0.00 150 L 8.54 5.43 0.00 1.77 1.54 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.80 5.62 0.00 3.58 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 0.00 152 S 9.99 5.96 0.00 3.95 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 0.00 153 A 8.77 5.31 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 0.00 154 L 8.92 4.76 0.00 1.69 1.57 0.50 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.14 4.90 1.91 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 1.31 0.79 0.97 0.00 0.00 156 R 9.18 4.49 0.00 2.03 1.94 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 157 K 8.76 5.11 0.00 1.73 1.93 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.74 1.47 7.81 158 T 8.22 2.82 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 0.74 0.00 0.00 159 P 0.00 4.36 0.00 1.94 1.95 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.