NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.8387 8.4798 120.2568 56.2197 31.8735 176.9221 4 R 3.9986 7.8557 114.9883 58.4999 29.8268 177.1140 5 I 3.6428 8.4858 121.2763 63.8726 37.6975 178.9982 6 E 4.0117 8.2405 119.2900 59.6014 29.3902 178.7850 7 D 4.3584 7.6938 117.5859 57.5865 41.2001 178.0404 8 H 4.3618 8.0978 116.2855 58.9767 28.7639 177.6632 9 I 3.7590 8.3060 122.0487 64.4632 36.8678 178.6150 10 S 4.1381 8.2365 115.9618 61.7136 62.5741 176.6467 11 F 4.1742 8.2498 122.9565 60.9772 39.1007 176.9296 12 L 3.9550 8.3855 120.3807 58.2536 41.9026 178.8450 13 E 3.9506 8.3442 118.6242 59.1029 29.2600 179.3566 14 K 3.8304 8.2720 120.0347 59.3970 32.3694 178.2745 15 F 3.8865 8.4500 122.0499 61.6919 39.1844 177.2224 16 I 3.4236 8.2926 119.2821 64.0326 36.8333 177.8453 17 N 4.1853 8.0788 118.0609 57.0352 38.8047 176.7252 18 D 4.2893 8.2026 120.3835 57.0518 40.8083 178.8766 19 V 3.3644 7.4369 118.8477 65.9132 31.4769 177.8905 20 N 4.2140 8.0080 115.9752 56.6026 38.5662 177.2102 21 T 3.8274 7.7642 117.0629 66.7919 68.5392 176.0917 22 L 3.9346 8.3084 122.0847 58.6582 42.0670 179.1985 23 T 3.8222 7.9138 115.3317 66.3957 67.9803 176.4771 24 A 3.9956 8.0508 122.7028 55.2965 18.2222 179.9427 25 K 3.9848 7.7145 115.2801 59.4711 32.2249 179.3897 26 L 4.2046 8.1448 118.1787 56.3894 41.9213 178.1699 27 L 4.6643 7.9566 117.2082 54.0370 42.7356 177.8192 28 K 4.1805 7.6257 121.8202 59.3800 32.1363 178.1795 29 D 4.5876 8.1224 118.1540 57.0162 40.7670 178.3568 30 L 4.2849 7.8485 120.4875 57.7794 42.1650 178.6410 31 Q 4.0069 8.6611 118.6800 59.0750 28.6382 178.6580 32 T 3.8572 8.5967 117.1271 66.5934 68.3019 176.0138 33 E 3.9003 8.0439 119.8707 59.6672 29.7171 177.9317 34 Y 4.0345 8.0463 113.1137 57.1363 38.8653 175.1832 35 G 3.8702 8.4501 108.5451 46.5292 0.0000 173.4046 36 I 4.6326 8.0220 110.5043 57.8667 41.4249 175.8042 37 S 4.5053 8.2378 116.4188 57.3880 65.4577 175.2533 38 A 4.0856 8.3275 123.6048 55.3013 18.0900 179.5241 39 E 3.8914 8.2355 115.7271 59.9885 29.2675 179.3237 40 Q 4.0341 7.7809 117.5250 58.4315 28.6765 178.6812 41 S 4.0975 8.2434 114.7843 61.5655 62.4303 175.2803 42 H 4.0303 8.3667 120.5584 59.4502 29.2855 176.7615 43 V 3.6214 7.6039 119.4711 66.2699 31.1237 178.0075 44 L 4.0207 7.3926 117.0549 57.7496 41.7411 178.7977 45 N 4.4247 8.7343 117.3307 57.0139 38.0541 176.9324 46 M 4.1261 8.8675 120.2216 57.3160 31.7396 177.5653 47 L 4.9575 7.4849 118.5705 54.0839 42.2229 177.7080 48 S 4.4188 7.8304 115.6336 60.5590 63.5879 175.7447 49 I 3.8955 7.6306 122.3539 63.6129 37.5500 175.5575 50 E 4.6461 7.3486 115.5024 54.9617 32.2682 174.5442 51 A 4.5194 8.3493 121.7779 52.4674 19.4163 176.3071 52 L 5.5061 8.3389 117.6582 54.2566 46.7801 174.2222 53 T 4.7648 8.1146 109.2603 60.4577 71.7941 174.4739 54 V 3.6747 8.6484 119.1855 66.4802 31.7235 178.6313 55 G 4.0394 8.1406 104.8769 48.1585 0.0000 174.8569 56 Q 3.9786 7.5000 120.8037 58.7771 28.7515 179.9158 57 I 3.7039 7.5512 119.0926 64.5132 38.1818 177.7866 58 T 3.8853 8.8017 117.7412 66.0917 68.0497 175.0923 59 E 4.6051 7.9149 116.9808 55.9097 30.4656 177.5387 60 K 4.2031 8.0197 120.7995 58.7202 32.4168 177.4751 61 Q 4.4047 7.6592 116.1002 58.7191 29.9604 177.8512 62 G 4.0289 6.8955 102.4345 45.9674 0.0000 174.7043 63 V 4.2640 7.2646 127.0097 60.3347 34.6271 173.5190 64 N 4.1367 8.4710 119.7486 52.9148 38.2953 173.2492 65 K 4.0763 7.8583 118.7841 58.4987 32.3286 177.8649 66 A 4.3632 7.9083 118.6097 52.9107 18.7059 177.8895 67 A 5.3512 7.4651 119.2647 52.7139 19.8293 178.9100 68 V 4.2661 7.6656 118.1742 65.5463 34.8426 177.2862 69 S 4.1379 8.3204 115.6299 61.7767 62.5285 176.5374 70 R 3.9174 7.4895 118.0504 59.8498 28.7286 178.9671 71 R 3.9384 7.8969 117.0132 58.5728 30.1811 178.9003 72 V 3.7200 7.7753 118.1014 66.1378 31.7973 178.4460 73 K 4.1465 8.0786 117.9990 59.0081 31.7962 179.5697 74 K 3.9833 7.8468 119.0422 59.5238 31.9544 179.2922 75 L 4.0869 7.6522 117.6704 57.3448 41.4817 179.6169 76 L 4.1654 7.7125 118.8562 57.9748 41.4772 179.0306 77 N 4.3731 7.8813 114.6114 56.0795 38.5714 176.7855 78 A 4.1360 7.8680 120.0024 52.0728 18.8724 176.8669 79 E 3.8300 7.9899 115.6739 57.7919 27.5792 174.9999 80 L 4.8847 8.0156 117.3215 54.0665 43.7351 176.8156 81 V 4.8703 7.5441 117.1226 61.1785 35.2466 173.8736 82 K 4.6662 9.5100 125.5801 54.5574 35.1913 177.1195 83 L 3.8862 8.7581 127.8605 57.5966 42.8440 177.5211 84 E 4.1464 7.8091 120.7308 55.8060 27.4144 176.4374 *95 K 4.3371 7.1312 118.8593 55.8211 35.0714 176.8537 96 I 4.4147 7.6081 119.2805 62.9845 43.3899 176.1423 97 I 3.1426 7.8399 119.5516 62.2581 34.1900 172.7864 98 K 4.6806 9.0453 125.9038 54.1144 36.2716 175.3222 99 L 4.5192 8.5363 123.0539 54.9914 42.5902 177.3299 100 S 4.7040 8.2905 117.0259 57.4833 66.1464 173.9987 101 N 4.3040 8.8494 116.4538 57.2590 38.3505 177.3887 102 K 4.1836 8.2128 120.4524 59.2312 32.2488 178.6516 103 G 3.7244 8.0768 105.7686 47.4971 0.0000 175.8840 104 K 4.0675 7.9458 120.3691 59.0219 31.9593 179.3782 105 K 4.0342 8.2346 120.2657 59.5326 32.0395 177.8296 106 Y 3.6671 7.5917 118.9867 60.6879 38.6193 177.9501 107 I 3.2211 7.6782 120.0992 64.4280 37.2914 178.2100 108 K 3.7767 7.8220 118.7302 59.9025 31.8977 179.1090 109 E 3.9563 8.3020 118.4414 59.2315 29.3773 179.5850 110 R 3.6263 7.8035 119.1283 59.4027 30.0997 178.8023 111 K 3.9190 8.3935 118.3539 59.2750 31.9592 179.1439 112 A 4.0172 7.9410 121.1483 55.1910 18.1279 179.8639 113 I 3.6346 7.5206 117.8671 64.9113 37.2219 178.7083 114 M 4.0918 8.0942 119.2606 58.1513 31.6890 178.8715 115 S 4.2950 8.5217 115.9183 61.3179 63.0360 176.1824 116 H 4.1057 8.1197 118.6833 58.8293 28.3014 177.6118 117 I 3.6968 7.3759 120.3907 64.6366 37.2483 178.1114 118 A 4.1715 7.8281 120.9980 55.3688 18.0886 179.2609 119 S 4.0844 8.2036 111.7273 61.5911 62.3539 175.6397 120 D 4.6668 8.4148 120.0283 55.8845 40.7085 177.1153 121 M 4.5921 7.6317 117.6256 55.6067 33.5125 175.5279 122 T 4.8106 7.5376 111.0732 62.8122 69.8259 175.3346 123 S 4.1315 8.7431 116.9095 61.0282 62.6812 174.8962 124 D 4.6173 7.9061 117.6651 53.0649 39.6433 176.2008 125 F 4.5825 8.1227 119.3570 56.6070 40.2808 174.6655 126 D 4.6481 10.1924 124.0330 53.5495 41.6439 177.2284 127 S 3.8785 9.0308 122.4690 62.0357 62.6105 176.6879 128 K 4.1142 8.0722 122.2598 59.0946 31.9580 178.5633 129 E 3.8673 9.0698 120.1384 59.4160 29.3944 179.1628 130 I 3.5454 7.6537 119.1526 64.6150 37.2705 178.1374 131 E 3.9199 8.4962 119.6127 59.3132 29.0871 179.4925 132 K 3.9280 8.0107 119.6581 59.2123 32.3355 178.9414 133 V 3.4846 7.7224 118.5657 66.1332 31.4743 177.9319 134 R 3.8777 8.1163 118.3875 59.6558 29.9641 178.3997 135 Q 4.1640 8.1670 117.7169 58.9074 28.6494 179.0332 136 V 3.7047 7.6064 119.2749 65.5158 31.6330 177.8922 137 L 4.1934 7.8166 118.1930 56.9428 41.5320 179.1702 138 E 4.0160 8.6131 119.5596 59.3602 29.4635 178.9960 139 I 3.8956 7.6661 118.2102 63.9692 38.0071 178.1221 140 I 3.7909 7.7085 120.5060 64.2411 36.8818 177.7227 141 D 4.3460 8.2784 118.9675 57.4811 40.9088 177.5524 142 Y 4.0580 8.5303 120.3336 61.0931 38.9455 178.6017 143 R 3.9958 8.3949 118.7568 59.0749 30.0268 178.9195 144 I 3.7041 8.3186 120.2083 64.3636 37.1649 177.9412 145 Q 3.9784 8.3668 119.2248 59.5004 28.4834 179.9853 146 S 4.0380 7.3937 113.2992 61.5826 63.1426 175.6421 147 Y 3.9213 7.8467 122.6335 60.7376 38.5103 177.7201 148 T 3.9661 8.2848 117.2377 66.8823 68.3728 176.2779 149 S 3.9873 7.8843 114.6590 61.5270 62.8794 175.9080 150 K 4.0346 7.6621 119.6373 56.0437 32.0955 176.5223 151 L 4.1297 8.5182 124.3654 56.0771 42.0813 174.0813 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 R 8.48 4.84 0.00 1.79 2.03 0.00 3.02 0.00 0.00 3.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 4 R 7.86 4.00 0.00 2.16 2.15 0.00 3.02 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 5 I 8.49 3.64 1.90 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 1.66 0.86 0.95 0.00 0.00 6 E 8.24 4.01 0.00 2.16 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 0.00 2.41 2.39 0.00 7 D 7.69 4.36 0.00 2.67 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 8 H 8.10 4.36 0.00 3.46 3.35 0.00 5.70 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 9 I 8.31 3.76 2.06 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 1.55 0.88 0.93 0.00 0.00 10 S 8.24 4.14 0.00 4.11 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 11 F 8.25 4.17 0.00 3.24 3.28 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 12 L 8.39 3.95 0.00 1.97 1.80 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.34 3.95 0.00 2.27 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 2.47 0.00 14 K 8.27 3.83 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.44 7.81 15 F 8.45 3.89 0.00 2.00 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 16 I 8.29 3.42 1.86 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 1.40 0.95 0.84 0.00 0.00 17 N 8.08 4.19 0.00 3.03 2.81 0.00 0.00 7.18 8.09 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 18 D 8.20 4.29 0.00 2.66 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 19 V 7.44 3.36 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 0.88 0.00 0.00 0.16 0.00 0.00 20 N 8.01 4.21 0.00 2.90 2.79 0.00 0.00 7.05 6.40 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 21 T 7.76 3.83 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 1.19 0.00 0.00 22 L 8.31 3.93 0.00 1.72 1.85 0.91 0.85 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 23 T 7.91 3.82 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 1.19 0.00 0.00 24 A 8.05 4.00 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 25 K 7.71 3.98 0.00 1.78 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 26 L 8.14 4.20 0.00 1.86 1.73 0.92 1.05 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 27 L 7.96 4.66 0.00 1.79 1.74 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.63 4.18 0.00 2.02 1.84 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.38 7.81 29 D 8.12 4.59 0.00 2.84 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 30 L 7.85 4.28 0.00 1.87 1.96 1.30 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.66 4.01 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 32 T 8.60 3.86 4.39 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 1.22 0.00 0.00 33 E 8.04 3.90 0.00 1.98 2.35 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 1.92 2.12 0.00 34 Y 8.05 4.03 0.00 2.78 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 35 G 8.45 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 0.00 0.00 0.00 36 I 8.02 4.63 1.78 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.83 0.00 0.00 37 S 8.24 4.51 0.00 4.27 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 38 A 8.33 4.09 1.34 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 0.00 0.00 0.00 39 E 8.24 3.89 0.00 2.17 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 0.00 2.36 2.35 0.00 40 Q 7.78 4.03 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 41 S 8.24 4.10 0.00 3.93 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 42 H 8.37 4.03 0.00 3.21 3.40 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.60 3.62 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 0.98 0.00 0.00 1.04 0.00 0.00 44 L 7.39 4.02 0.00 1.88 1.82 0.84 1.17 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 45 N 8.73 4.42 0.00 2.81 2.87 0.00 0.00 7.22 7.52 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 46 M 8.87 4.13 0.00 2.03 2.24 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 2.38 2.51 0.00 47 L 7.48 4.96 0.00 1.71 1.69 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.83 4.42 0.00 4.00 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 49 I 7.63 3.90 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 1.46 0.39 0.91 0.00 0.00 50 E 7.35 4.65 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 2.14 2.20 0.00 51 A 8.35 4.52 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 52 L 8.34 5.51 0.00 1.53 1.55 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.11 4.76 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 1.24 0.00 0.00 54 V 8.65 3.67 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 1.04 0.00 0.00 0.93 0.00 0.00 55 G 8.14 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 0.00 0.00 0.00 56 Q 7.50 3.98 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 57 I 7.55 3.70 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 1.53 1.59 1.07 0.00 0.00 58 T 8.80 3.89 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 1.26 0.00 0.00 59 E 7.91 4.61 0.00 1.92 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 2.54 2.42 0.00 60 K 8.02 4.20 0.00 2.08 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 61 Q 7.66 4.40 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.44 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 62 G 6.90 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 63 V 7.26 4.26 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 1.00 0.00 0.00 64 N 8.47 4.14 0.00 2.69 2.79 0.00 0.00 6.96 6.68 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 65 K 7.86 4.08 0.00 1.90 1.68 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.49 7.81 66 A 7.91 4.36 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 67 A 7.47 5.35 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 68 V 7.67 4.27 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 1.03 0.00 0.00 0.93 0.00 0.00 69 S 8.32 4.14 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 70 R 7.49 3.92 0.00 1.86 2.21 0.00 2.77 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 71 R 7.90 3.94 0.00 1.96 2.04 0.00 3.37 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 72 V 7.78 3.72 2.26 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 1.03 0.00 0.00 0.96 0.00 0.00 73 K 8.08 4.15 0.00 1.86 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 74 K 7.85 3.98 0.00 1.94 1.96 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.68 7.81 75 L 7.65 4.09 0.00 1.87 1.70 1.03 0.55 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 76 L 7.71 4.17 0.00 1.87 1.71 0.92 0.78 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 77 N 7.88 4.37 0.00 2.90 2.88 0.00 0.00 7.07 6.72 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 78 A 7.87 4.14 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 79 E 7.99 3.83 0.00 2.16 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 2.25 2.47 0.00 80 L 8.02 4.88 0.00 1.58 1.67 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.54 4.87 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 0.76 0.00 0.00 1.00 0.00 0.00 82 K 9.51 4.67 0.00 1.80 1.56 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.58 7.81 83 L 8.76 3.89 0.00 1.65 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.81 4.15 0.00 1.97 1.90 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 2.29 2.33 0.00 *95 K 7.13 4.34 0.00 1.81 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 96 I 7.61 4.41 2.11 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 1.41 0.42 0.91 0.00 0.00 97 I 7.84 3.14 1.99 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 1.02 0.91 0.00 0.00 98 K 9.05 4.68 0.00 1.74 1.59 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 99 L 8.54 4.52 0.00 1.58 1.60 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.29 4.70 0.00 3.93 3.97 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 0.00 101 N 8.85 4.30 0.00 2.88 2.86 0.00 0.00 6.55 6.20 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 0.00 102 K 8.21 4.18 0.00 1.92 2.05 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.65 7.81 103 G 8.08 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 0.00 104 K 7.95 4.07 0.00 2.08 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.74 7.81 105 K 8.23 4.03 0.00 1.93 2.11 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.51 7.81 106 Y 7.59 3.67 0.00 2.49 2.99 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 0.00 107 I 7.68 3.22 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 1.65 0.60 0.81 0.00 0.00 108 K 7.82 3.78 0.00 1.92 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.64 7.81 109 E 8.30 3.96 0.00 2.04 2.03 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 2.34 2.58 0.00 110 R 7.80 3.63 0.00 0.99 1.57 0.00 2.76 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 111 K 8.39 3.92 0.00 1.81 1.80 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.54 7.81 112 A 7.94 4.02 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 0.00 113 I 7.52 3.63 1.98 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 1.49 0.84 0.90 0.00 0.00 114 M 8.09 4.09 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.85 0.00 115 S 8.52 4.30 0.00 3.91 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 0.00 116 H 8.12 4.11 0.00 3.43 3.37 0.00 5.83 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 0.00 117 I 7.38 3.70 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.75 0.93 0.00 0.00 118 A 7.83 4.17 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 0.00 119 S 8.20 4.08 0.00 4.01 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 0.00 120 D 8.41 4.67 0.00 2.73 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 0.00 121 M 7.63 4.59 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 122 T 7.54 4.81 4.61 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 1.29 0.00 0.00 123 S 8.74 4.13 0.00 3.96 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 0.00 124 D 7.91 4.62 0.00 2.66 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 0.00 125 F 8.12 4.58 0.00 3.25 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 0.00 126 D 10.19 4.65 0.00 2.95 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 0.00 127 S 9.03 3.88 0.00 4.09 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 0.00 128 K 8.07 4.11 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.53 7.81 129 E 9.07 3.87 0.00 2.16 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 2.36 2.40 0.00 130 I 7.65 3.55 1.96 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 1.80 0.92 0.88 0.00 0.00 131 E 8.50 3.92 0.00 2.00 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 2.32 2.46 0.00 132 K 8.01 3.93 0.00 1.92 1.99 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 133 V 7.72 3.48 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 0.84 0.00 0.00 0.83 0.00 0.00 134 R 8.12 3.88 0.00 1.89 2.03 0.00 3.16 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 1.62 1.68 0.00 135 Q 8.17 4.16 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 136 V 7.61 3.70 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 1.00 0.00 0.00 0.93 0.00 0.00 137 L 7.82 4.19 0.00 1.89 1.71 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.61 4.02 0.00 2.13 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 2.34 2.57 0.00 139 I 7.67 3.90 1.85 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 1.59 1.34 0.99 0.00 0.00 140 I 7.71 3.79 1.90 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 0.54 0.93 0.00 0.00 141 D 8.28 4.35 0.00 2.94 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 0.00 142 Y 8.53 4.06 0.00 3.18 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 0.00 143 R 8.39 4.00 0.00 2.00 2.06 0.00 3.27 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.04 0.00 144 I 8.32 3.70 2.12 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 1.50 0.78 0.91 0.00 0.00 145 Q 8.37 3.98 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 146 S 7.39 4.04 0.00 3.83 3.69 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 0.00 147 Y 7.85 3.92 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 0.00 148 T 8.28 3.97 4.39 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 1.23 0.00 0.00 149 S 7.88 3.99 0.00 4.00 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 0.00 150 K 7.66 4.03 0.00 1.67 1.84 0.00 1.59 0.00 0.00 1.32 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.37 7.81 151 L 8.52 4.13 0.00 1.80 1.73 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.