NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.6654 8.2827 119.2017 53.0526 41.1860 175.9172 8 L 3.7759 7.8176 119.4105 57.9423 41.9299 176.5896 9 N 4.2658 9.1001 117.5964 56.5530 38.8549 176.8911 10 V 3.6053 7.5274 113.4738 64.4070 31.7334 178.2080 11 L 4.0261 7.9574 119.4737 58.3578 41.8872 178.3902 12 D 4.3806 8.2381 117.6035 57.4040 41.1510 178.0252 13 A 4.2491 8.7350 121.2217 54.5154 18.3928 179.6052 14 A 4.0222 8.7254 120.2369 55.2301 18.4738 179.2361 15 F 4.1159 8.4560 119.2879 61.9798 39.4523 176.8016 16 Y 3.9991 8.4603 118.8455 60.7601 38.7160 177.8723 17 S 4.0769 8.5838 114.3477 61.0027 62.3730 175.9139 18 L 3.8757 8.2332 123.5450 58.0984 41.8480 178.2165 19 E 3.6783 7.9548 119.5993 59.7130 29.4385 179.0523 20 Q 3.7900 8.1194 117.8651 58.8978 28.6114 179.0884 21 T 3.8312 7.6063 116.9047 66.5904 68.5649 176.8734 22 V 3.6606 8.0400 120.5623 65.9048 31.2663 177.9978 23 V 3.5476 7.9980 118.3130 66.3686 31.1133 178.0647 24 Q 3.8802 7.5790 115.6578 59.0126 28.5292 178.6583 25 I 3.7912 7.5544 120.1067 64.3267 37.1660 178.3819 26 S 4.3594 8.0082 115.0648 60.2336 64.0914 175.6847 27 D 4.7625 7.6825 122.0416 53.7597 37.4733 176.0886 28 R 4.0888 8.2571 123.3083 59.2580 30.3239 177.6900 29 N 4.2318 8.2471 114.3379 55.9063 38.6075 176.8559 30 W 4.2895 8.3751 128.8066 60.4478 31.1245 177.7935 31 F 3.9948 8.9042 119.5411 60.9752 38.8676 176.5180 32 D 4.4419 8.5837 118.2825 54.2738 39.8949 176.1226 *34 Q 3.7538 7.9173 116.6440 54.5841 29.9611 174.2478 35 P 4.3015 0.0000 0.0000 62.3582 33.4089 177.2260 36 S 3.8879 8.5023 113.6952 62.0599 62.1879 176.7013 37 I 4.2713 7.5411 121.4728 63.0612 37.7586 177.9246 38 V 3.5232 7.4233 119.0472 65.8932 31.1108 177.6627 39 Q 3.5203 7.8657 118.1339 58.8869 28.6339 178.5340 40 D 4.5137 7.8706 118.7357 55.7878 39.8062 178.7487 41 T 3.9578 7.8936 117.8366 66.5087 68.4126 176.5838 42 L 4.1961 8.0751 121.1200 57.7801 41.6135 179.6226 43 I 3.6056 7.5466 119.2955 63.8980 37.0420 178.0423 44 A 4.0848 8.5666 122.2823 55.3360 18.2431 179.9815 45 G 3.5587 8.7499 104.1435 47.9374 0.0000 175.7716 46 A 4.1402 8.2209 123.2453 54.9977 18.3795 179.8581 47 I 3.7583 7.9113 118.5314 64.4627 37.2722 178.4044 48 Q 3.6905 7.9530 120.5542 58.9827 28.8788 178.4763 49 K 3.9033 7.9600 119.5732 59.0879 32.0847 179.1132 50 F 4.0532 8.2449 121.2320 61.1845 39.2515 177.0567 51 E 3.3784 7.7939 118.1925 59.0207 29.1211 179.2507 52 F 4.5163 7.2901 117.3030 60.8132 38.9800 177.8858 53 V 3.7896 7.8140 117.2901 66.2495 31.2939 176.9659 54 Y 4.7599 7.9282 119.2570 60.9278 38.4669 177.5813 55 E 3.6568 8.3422 119.6739 59.4839 29.5692 179.0595 56 L 3.9776 7.9241 117.2923 57.9570 41.7780 179.3151 57 S 4.2418 8.7271 115.0657 61.7523 62.8681 176.5842 58 L 4.0353 7.6580 120.5262 56.4550 42.8705 179.1650 59 K 4.1673 7.8542 120.1312 56.0980 28.2203 176.8864 *62 K 3.9262 7.8243 123.8515 56.1103 34.5056 177.8702 63 R 4.0924 8.1299 119.9163 58.5709 29.7028 178.3635 64 Q 3.8714 7.7932 119.0816 59.2621 28.1455 178.0450 65 L 3.7943 7.5248 119.3750 57.4686 41.7614 179.0333 66 Q 4.0379 8.4105 120.0841 58.3101 28.7196 177.3346 67 Q 4.4322 7.6842 117.2455 57.4983 29.9329 176.3256 68 D 4.3488 8.3562 118.6373 56.0814 41.2035 176.4945 69 A 4.5969 7.7020 123.1259 52.6601 21.6286 177.1951 70 I 3.7216 7.0417 113.8126 62.2618 37.8615 176.5963 71 N 4.5697 8.5678 125.4001 55.7926 38.2897 176.7060 72 T 3.4448 7.4675 111.9254 65.1351 66.5953 174.5353 73 D 4.4475 8.0104 125.8170 57.5291 40.3993 179.8539 74 D 4.2035 7.0164 115.9148 55.6967 39.0728 174.0181 75 I 4.6026 7.6575 128.1456 60.7502 35.1261 175.4130 76 G 4.0587 8.2428 110.9236 45.6651 0.0000 173.1654 77 A 4.0122 7.6180 120.6287 54.3954 18.5009 176.8695 78 Y 4.5305 8.0220 114.1608 57.0552 38.6599 175.7798 79 G 4.1010 8.4222 114.4280 44.0028 0.0000 173.9591 80 F 3.9520 8.3392 118.8009 61.5947 39.5605 177.5027 81 K 3.8538 8.2658 117.8013 59.1119 31.9510 179.2008 82 D 4.3482 8.1330 119.6351 57.2744 40.8028 178.5075 83 I 3.5268 7.7653 119.7865 64.3989 37.1510 178.3392 84 L 3.6785 7.6444 119.4679 57.6825 41.4215 179.5749 85 R 3.8750 8.0994 118.3088 59.4294 30.0681 178.9080 86 E 3.8604 8.6734 118.1136 59.4199 29.4070 179.1125 87 A 3.7024 7.9412 121.0218 55.0877 18.0980 179.5583 88 L 3.8589 7.7099 118.4818 58.4819 42.0399 179.2221 89 R 3.6637 7.9746 116.7124 58.8752 30.0645 177.9467 90 F 4.8101 8.2286 114.7636 56.0605 39.3139 175.8086 91 G 4.0700 8.9397 107.4459 46.6253 0.0000 175.5781 92 L 4.1701 8.7343 122.8254 56.0186 41.9602 176.8902 93 I 4.9204 7.4987 109.3657 58.8931 40.4735 174.7691 94 G 4.0338 8.6167 105.9140 44.9767 0.0000 171.4037 95 D 4.7193 7.6681 117.9868 52.6270 45.0263 175.3081 *97 S 4.5775 8.4375 113.4682 58.2285 65.0791 176.3473 98 K 3.5271 7.9980 120.5841 59.0182 31.6582 179.4332 99 W 4.3743 7.5783 115.8623 59.5050 29.0243 178.8452 100 V 4.1195 8.0244 117.9492 66.0678 30.8347 177.8119 101 A 4.1807 7.7586 119.7312 55.2857 18.2831 178.8756 102 Y 4.5521 7.9692 114.8849 61.1647 38.0945 178.7280 103 R 3.6382 8.2888 119.7880 59.2403 30.1701 178.9625 104 D 4.3543 7.6148 116.1215 55.1244 41.0227 178.4610 *106 R 4.1931 8.1217 121.4072 56.5981 31.4263 176.6529 107 N 4.6721 8.7849 112.6879 54.0956 38.7291 175.8892 108 I 4.2254 7.1328 113.6611 60.5015 38.6851 177.1918 109 T 4.1407 7.7031 112.5205 64.5400 68.2601 175.8334 110 S 4.3608 7.9175 115.3783 60.3261 63.5434 174.6153 111 H 4.3233 8.1884 119.8008 56.0009 28.5628 176.2729 112 T 3.9512 7.5802 118.7979 65.0894 68.0165 174.9333 113 Y 4.2629 7.0438 118.4676 58.1765 38.6731 174.9026 114 D 4.7470 7.3766 122.1473 52.6846 41.6452 176.4640 115 Q 3.9948 8.9411 126.7139 59.5304 29.0180 179.1983 116 E 4.1216 8.1263 116.0842 59.2852 29.8836 178.9684 117 K 4.1316 7.9376 117.8914 58.9937 32.0990 179.4948 118 A 4.1705 8.2282 120.0610 51.9998 17.3195 179.0298 *120 A 4.1713 7.9782 125.6926 53.7874 20.8436 180.3779 121 V 3.7325 7.7332 115.0264 66.0012 31.3721 177.7202 122 Y 3.7890 8.0177 119.3255 60.3812 38.4149 177.5418 123 A 3.9240 7.3770 121.2294 54.8279 18.6900 178.7067 124 Q 4.1397 7.5963 114.7355 56.8596 29.0448 178.0460 125 I 3.5251 7.4422 122.6734 64.0523 37.0058 177.6160 126 D 4.2972 7.8833 119.4198 57.6301 40.6658 178.4705 127 D 4.3344 7.9759 117.6742 57.2163 41.2567 177.6048 128 F 3.6519 7.9296 120.8148 61.3148 39.2466 177.0247 129 L 4.1556 8.3681 120.0963 57.2066 41.4039 179.5694 130 I 3.8283 7.5784 119.1859 64.5294 37.1609 178.2422 131 E 4.1230 8.2014 119.4625 59.5565 28.9764 179.6601 132 S 4.3486 7.9109 114.4936 61.6959 62.7104 176.5208 133 S 3.5574 8.1599 115.7240 60.5463 62.3284 175.9359 134 F 4.1707 8.2612 120.8750 60.2025 38.6131 177.0295 135 L 4.3976 8.1329 121.4270 57.7107 41.6465 178.9192 136 L 3.8480 7.6266 118.3088 57.9517 42.2199 178.6676 137 E 4.0095 8.0825 118.6529 59.4868 29.3422 179.0646 138 Q 4.2929 7.9899 118.7363 58.5887 28.6530 179.1003 139 L 4.0145 7.9729 118.4843 57.2812 41.6143 179.1285 140 R 3.9926 7.4917 118.2637 59.3479 29.8963 176.1878 141 Q 4.1450 7.8928 122.1208 56.1497 28.7681 175.7242 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 7 N 8.28 4.67 0.00 2.80 2.86 0.00 0.00 6.71 5.78 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 8 L 7.82 3.78 0.00 1.85 1.63 0.89 0.34 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 9 N 9.10 4.27 0.00 2.79 2.87 0.00 0.00 7.17 7.68 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 10 V 7.53 3.61 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 0.74 0.00 0.00 1.03 0.00 0.00 11 L 7.96 4.03 0.00 1.77 1.85 1.03 1.10 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 12 D 8.24 4.38 0.00 2.90 2.83 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 0.00 0.00 0.00 13 A 8.73 4.25 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 14 A 8.73 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.12 0.00 3.27 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 4.00 0.00 3.27 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 17 S 8.58 4.08 0.00 4.09 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 18 L 8.23 3.88 0.00 1.96 1.62 1.12 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 19 E 7.95 3.68 0.00 1.52 1.73 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 2.14 2.20 0.00 20 Q 8.12 3.79 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 21 T 7.61 3.83 4.48 0.00 0.00 0.00 0.00 0.00 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 22 V 8.04 3.66 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 0.93 0.00 0.00 0.91 0.00 0.00 23 V 8.00 3.55 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 0.91 0.00 0.00 0.89 0.00 0.00 24 Q 7.58 3.88 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 25 I 7.55 3.79 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.73 0.21 0.00 0.00 26 S 8.01 4.36 0.00 3.99 3.93 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 27 D 7.68 4.76 0.00 2.73 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 28 R 8.26 4.09 0.00 1.91 2.05 0.00 3.41 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 29 N 8.25 4.23 0.00 2.79 2.98 0.00 0.00 6.85 7.68 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 30 W 8.38 4.29 0.00 3.48 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 31 F 8.90 3.99 0.00 3.16 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 32 D 8.58 4.44 0.00 2.71 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 *34 Q 7.92 3.75 0.00 1.42 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.03 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 35 P 0.00 4.30 0.00 2.16 2.07 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 36 S 8.50 3.89 0.00 3.82 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 37 I 7.54 4.27 1.83 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 1.49 2.17 0.87 0.00 0.00 38 V 7.42 3.52 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 0.91 0.00 0.00 0.87 0.00 0.00 39 Q 7.87 3.52 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 40 D 7.87 4.51 0.00 2.97 2.90 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 0.00 0.00 0.00 41 T 7.89 3.96 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 1.25 0.00 0.00 42 L 8.08 4.20 0.00 2.22 1.89 1.33 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.55 3.61 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.52 0.81 0.00 0.00 44 A 8.57 4.08 1.42 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 0.00 0.00 45 G 8.75 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 46 A 8.22 4.14 1.61 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 0.00 0.00 47 I 7.91 3.76 2.07 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 1.43 0.86 0.92 0.00 0.00 48 Q 7.95 3.69 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.24 1.39 0.00 49 K 7.96 3.90 0.00 2.10 1.93 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.66 7.81 50 F 8.24 4.05 0.00 2.89 3.10 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 51 E 7.79 3.38 0.00 1.86 1.82 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 2.23 2.53 0.00 52 F 7.29 4.52 0.00 3.32 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 53 V 7.81 3.79 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 1.43 0.00 0.00 1.27 0.00 0.00 54 Y 7.93 4.76 0.00 2.54 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.34 3.66 0.00 2.43 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 2.38 2.44 0.00 56 L 7.92 3.98 0.00 1.93 1.76 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.73 4.24 0.00 4.08 3.83 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 0.00 0.00 0.00 58 L 7.66 4.04 0.00 1.40 1.64 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.85 4.17 0.00 1.91 1.73 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *62 K 7.82 3.93 0.00 1.86 1.91 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.29 7.81 63 R 8.13 4.09 0.00 1.93 1.86 0.00 3.16 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 64 Q 7.79 3.87 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 65 L 7.52 3.79 0.00 1.35 1.25 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.41 4.04 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 67 Q 7.68 4.43 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 68 D 8.36 4.35 0.00 3.10 2.92 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 69 A 7.70 4.60 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 70 I 7.04 3.72 2.07 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 1.44 0.59 0.98 0.00 0.00 71 N 8.57 4.57 0.00 2.70 2.81 0.00 0.00 7.32 8.87 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 72 T 7.47 3.44 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 1.20 0.00 0.00 73 D 8.01 4.45 0.00 2.73 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 74 D 7.02 4.20 0.00 2.76 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 75 I 7.66 4.60 1.70 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.48 0.00 0.00 76 G 8.24 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 0.00 0.00 0.00 77 A 7.62 4.01 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 78 Y 8.02 4.53 0.00 2.83 2.90 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 0.00 0.00 0.00 79 G 8.42 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 0.00 0.00 0.00 0.00 80 F 8.34 3.95 0.00 3.21 3.16 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 81 K 8.27 3.85 0.00 1.91 1.87 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.23 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.77 7.81 82 D 8.13 4.35 0.00 3.05 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 83 I 7.77 3.53 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.96 0.69 0.00 0.00 84 L 7.64 3.68 0.00 1.46 1.53 0.65 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.10 3.87 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 86 E 8.67 3.86 0.00 1.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 87 A 7.94 3.70 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 0.00 0.00 0.00 0.00 0.00 88 L 7.71 3.86 0.00 1.90 1.86 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.97 3.66 0.00 2.19 2.43 0.00 3.49 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 90 F 8.23 4.81 0.00 2.93 3.05 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 91 G 8.94 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 0.00 0.00 0.00 92 L 8.73 4.17 0.00 1.76 1.61 0.76 0.87 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 93 I 7.50 4.92 2.06 0.00 0.00 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 1.21 0.66 0.52 0.00 0.00 94 G 8.62 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 95 D 7.67 4.72 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.58 0.00 4.05 4.14 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 98 K 8.00 3.53 0.00 1.65 1.08 0.00 1.67 0.00 0.00 1.55 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.33 7.81 99 W 7.58 4.37 0.00 3.54 3.61 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 0.00 100 V 8.02 4.12 2.37 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 1.17 0.00 0.00 1.13 0.00 0.00 101 A 7.76 4.18 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 0.00 102 Y 7.97 4.55 0.00 3.38 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 0.00 103 R 8.29 3.64 0.00 1.57 1.81 0.00 2.66 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 104 D 7.61 4.35 0.00 2.86 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 *106 R 8.12 4.19 0.00 1.17 1.63 0.00 3.25 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 107 N 8.78 4.67 0.00 2.74 2.78 0.00 0.00 6.87 7.02 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 0.00 108 I 7.13 4.23 1.77 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 1.62 0.91 0.88 0.00 0.00 109 T 7.70 4.14 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 1.27 0.00 0.00 110 S 7.92 4.36 0.00 4.12 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 0.00 111 H 8.19 4.32 0.00 3.07 3.07 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.58 3.95 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 113 Y 7.04 4.26 0.00 3.07 3.16 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 0.00 114 D 7.38 4.75 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.94 3.99 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 116 E 8.13 4.12 0.00 1.91 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 2.30 2.33 0.00 117 K 7.94 4.13 0.00 1.82 1.75 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.44 7.81 118 A 8.23 4.17 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 *120 A 7.98 4.17 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 V 7.73 3.73 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 0.70 0.00 0.00 0.81 0.00 0.00 122 Y 8.02 3.79 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 0.00 123 A 7.38 3.92 1.41 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 0.00 124 Q 7.60 4.14 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 125 I 7.44 3.53 1.36 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.24 0.75 0.00 0.00 126 D 7.88 4.30 0.00 2.62 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 0.00 127 D 7.98 4.33 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 7.93 3.65 0.00 2.72 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 0.00 129 L 8.37 4.16 0.00 1.87 1.77 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.58 3.83 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.94 1.18 0.00 0.00 131 E 8.20 4.12 0.00 1.86 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 0.00 2.56 2.46 0.00 132 S 7.91 4.35 0.00 3.90 2.83 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 0.00 0.00 0.00 133 S 8.16 3.56 0.00 4.06 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 0.00 134 F 8.26 4.17 0.00 3.37 3.10 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 0.00 135 L 8.13 4.40 0.00 1.89 2.03 0.82 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.63 3.85 0.00 1.65 1.56 0.38 1.03 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 0.00 137 E 8.08 4.01 0.00 2.29 1.94 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 2.08 2.27 0.00 138 Q 7.99 4.29 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.90 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 139 L 7.97 4.01 0.00 1.56 1.70 0.85 1.04 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 0.00 140 R 7.49 3.99 0.00 2.01 2.01 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 141 Q 7.89 4.15 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.32 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.