NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6918 8.1927 115.5797 58.6800 65.1670 172.0240 2 F 4.6098 8.6024 122.2986 56.0743 42.3408 172.1247 3 A 3.8164 8.0119 127.7661 54.0602 18.6725 177.2436 4 G 3.8502 9.1086 111.4042 45.5092 0.0000 172.9692 *6 L 4.8161 7.2391 117.0254 54.4163 43.0349 176.7550 7 K 4.3066 8.2703 119.6844 55.9852 33.5264 177.8914 8 D 4.4485 8.9203 123.9559 57.7128 40.8548 178.9633 9 A 4.0052 8.0182 120.5183 55.2586 18.3826 179.3217 10 D 4.2789 7.9144 117.0256 57.3139 41.0170 178.9764 11 V 3.4810 7.8952 118.5944 65.9828 31.6419 177.9453 12 A 4.0393 8.3632 120.6062 55.1930 18.2091 179.5122 13 A 3.9598 8.1701 119.1153 55.1159 18.2002 179.7660 14 A 3.8907 7.7749 118.6513 55.2572 18.1394 179.5910 15 L 4.2562 8.2519 117.4197 57.8629 41.8103 179.5960 16 A 4.0702 8.1612 120.6701 55.0124 18.1045 179.5243 17 A 4.1222 8.1733 118.6970 54.1179 18.4375 177.8099 18 C 5.2952 7.7415 110.5921 56.9845 30.2033 175.7219 19 S 4.1932 8.0076 117.3929 62.0580 62.9861 174.7542 20 A 4.1599 7.8646 123.7082 50.8794 18.9661 176.3761 21 A 4.2109 8.4393 125.3096 53.9749 18.8247 177.3374 22 D 4.6764 9.0135 120.6056 55.0089 38.4718 174.8322 23 S 4.5532 7.9995 113.3307 57.9726 63.8189 173.6565 24 F 4.4389 8.5651 125.2544 58.0244 39.5755 175.0307 25 K 3.9702 7.5173 126.8570 53.7901 34.7118 176.1735 26 H 2.6610 7.5698 121.6815 58.4455 27.7827 177.4714 27 K 3.9157 7.0707 120.2370 58.9307 31.8291 179.0841 28 E 3.8687 7.6165 118.6295 58.9999 29.3607 178.8583 29 F 3.8711 7.8237 120.8469 61.2053 39.4212 177.1496 30 F 4.5704 8.0485 117.5231 60.5767 38.7106 177.6358 31 A 3.9396 7.8131 120.4534 55.0867 18.0662 179.5925 32 K 3.8108 7.8212 117.1598 59.5691 32.3323 179.1118 33 V 3.5775 7.4792 118.5188 62.9532 31.2470 177.1633 34 G 4.0486 7.7904 107.1548 45.0642 0.0000 175.2769 35 L 4.0472 7.9989 120.2642 57.4344 41.9364 179.0940 36 A 4.0158 7.9872 120.7445 54.5562 18.3076 178.1085 37 S 4.5964 7.5142 109.4161 58.4172 63.5076 174.7363 38 K 4.3564 7.7165 120.6378 55.4036 32.9157 177.5639 39 S 4.3786 8.3168 115.9531 58.0446 65.0680 174.9199 40 L 3.9687 8.4983 124.1476 58.7394 41.2302 178.9769 41 D 4.4608 8.1519 118.1238 57.6089 40.7336 178.3580 42 D 4.5559 8.0848 118.8679 56.9499 40.9524 178.9887 43 V 3.8075 7.9561 119.1262 65.9664 31.4079 178.2213 44 K 4.1733 8.3770 118.3217 59.4251 31.6221 179.4033 45 K 4.1989 8.0840 117.6812 59.5399 31.9902 179.1485 46 A 4.4652 8.2134 120.6796 55.1242 18.3578 179.2215 47 F 2.9171 8.1536 118.9289 61.6031 39.1501 177.1548 48 Y 3.9386 7.4064 114.4771 60.6100 37.6024 178.7034 49 V 3.6988 7.2252 117.5034 66.1049 31.8066 177.9439 50 I 4.0479 7.3446 118.1740 63.3730 38.3759 177.2297 51 D 4.5099 7.4194 120.1648 53.0411 38.1004 176.1153 52 Q 3.9265 8.0523 122.6176 58.2624 29.2401 177.4944 53 D 4.6532 8.1549 113.7894 52.1713 39.7242 176.1450 54 K 3.9945 7.6310 117.6400 57.8192 30.0997 176.1559 55 S 4.3181 8.2606 112.1184 59.2512 63.5987 175.2007 56 G 3.9685 9.7647 110.3190 45.0694 0.0000 173.1261 57 F 5.3366 7.5973 116.6069 55.9599 43.6632 174.3119 58 I 4.7721 9.1450 122.8374 59.7437 38.4381 175.7955 59 E 4.7173 8.7766 127.0028 54.9327 31.6081 177.0799 60 E 3.8434 8.8985 120.5975 59.8555 29.3137 178.4038 61 D 4.3394 8.0782 118.3892 56.5586 39.4743 178.1527 62 E 4.0272 8.0561 119.2374 58.5801 29.7567 178.6581 63 L 3.8417 7.7250 120.8652 57.8148 42.0457 178.8146 64 K 4.0519 8.3676 121.3808 58.1886 32.0659 177.6921 65 L 4.7180 7.4765 118.1205 54.4595 42.5103 178.1601 66 F 4.2062 7.8734 123.5378 61.8861 39.2750 177.0426 67 L 4.1163 7.9000 117.1038 57.2788 39.9103 179.0361 68 Q 4.3914 8.1915 118.0460 58.3895 28.3499 177.9002 69 N 4.3811 7.8252 116.2445 55.1725 38.5701 176.3056 70 F 4.8734 7.8004 119.3679 56.9485 40.2207 176.3461 71 S 4.5315 7.4639 112.2909 56.4499 65.3468 173.2321 72 P 4.2060 0.0000 0.0000 65.5909 30.8911 177.0065 73 S 4.4782 7.9629 110.5955 57.9135 63.4840 174.0836 74 A 4.2132 7.8422 124.8609 51.8745 18.6885 177.9901 75 R 4.0810 8.2450 116.3653 55.9308 30.2990 176.2704 76 A 4.4634 8.1023 120.6012 51.4489 19.6103 177.4026 77 L 4.3904 8.5221 120.5520 54.5939 42.7376 177.3584 78 T 4.2217 9.2302 112.6636 61.2612 70.1866 175.4065 79 D 4.3269 8.8298 121.3113 57.3621 40.7061 179.0240 80 A 4.0038 7.9263 120.8637 55.2335 18.5412 179.3798 81 E 4.0311 8.1733 117.0136 59.8034 29.5849 179.7391 82 T 3.9503 8.2007 115.9466 66.6598 68.4971 176.6662 83 K 4.0777 8.3217 121.3461 59.4177 32.1991 178.7292 84 A 4.0244 8.2128 121.2613 54.8614 18.3647 179.3300 85 F 3.9021 8.3927 119.2597 61.3452 39.4089 177.0914 86 L 3.9290 8.1726 119.6159 58.2864 41.7314 178.7965 87 A 4.0011 8.0717 119.4534 55.1757 18.3207 178.7948 88 D 4.5534 8.2399 116.1294 57.0052 41.4720 178.0217 89 G 4.0402 7.9910 104.1871 45.4424 0.0000 174.7238 90 D 4.8510 8.1803 122.4514 53.3724 37.9224 176.5734 91 K 4.0777 8.1573 121.8381 58.2314 32.8152 177.7497 92 D 4.6534 8.4049 116.3211 52.3348 39.7544 176.9253 93 G 3.8974 7.9745 107.5326 46.7516 0.0000 174.0381 94 D 4.4844 8.2026 117.1769 52.7794 39.5183 177.3957 95 G 3.8929 9.1383 107.8800 46.1726 0.0000 172.8130 96 M 4.9332 8.0829 117.5836 53.7456 37.0749 174.2980 97 I 4.7654 8.8636 120.7127 59.8899 39.8078 176.4220 98 G 4.3358 9.5940 115.5303 44.7690 0.0000 174.9288 99 V 2.1275 7.5305 119.3972 64.6076 30.9191 178.2899 100 D 4.3220 7.7639 118.9737 56.8098 40.7133 178.4575 101 E 4.0151 8.0765 118.8943 59.0866 29.4289 178.8175 102 F 4.1847 8.5934 120.9096 61.4359 39.4608 177.0627 103 A 3.8773 8.2458 120.1092 55.1049 17.9161 179.4761 104 A 3.8909 7.9334 118.5039 55.4430 18.4955 179.2715 105 M 4.1335 7.8581 116.0541 58.4146 32.3402 178.0225 106 I 3.8911 6.9758 119.1967 61.7376 37.6660 176.1653 107 K 4.2603 7.7052 119.6784 54.9161 32.5870 176.5071 108 A 4.3047 8.4812 126.1162 52.1781 19.1554 176.1981 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 1 S 8.19 4.69 0.00 3.98 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 0.00 2 F 8.60 4.61 0.00 3.21 3.09 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 3 A 8.01 3.82 1.01 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 4 G 9.11 3.85 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 0.00 0.00 0.00 *6 L 7.24 4.82 0.00 2.01 1.80 1.19 1.15 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 7 K 8.27 4.31 0.00 2.03 1.76 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.61 7.81 8 D 8.92 4.45 0.00 2.79 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 9 A 8.02 4.01 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 10 D 7.91 4.28 0.00 2.87 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 11 V 7.90 3.48 2.33 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 1.31 0.00 0.00 1.15 0.00 0.00 12 A 8.36 4.04 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 13 A 8.17 3.96 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 14 A 7.77 3.89 0.96 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 0.00 0.00 15 L 8.25 4.26 0.00 1.95 1.81 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.16 4.07 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.17 4.12 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.74 5.30 0.00 3.29 3.14 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 19 S 8.01 4.19 0.00 4.06 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 20 A 7.86 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.44 4.21 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 22 D 9.01 4.68 0.00 2.88 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 23 S 8.00 4.55 0.00 4.02 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 24 F 8.57 4.44 0.00 2.91 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 25 K 7.52 3.97 0.00 1.46 1.34 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.28 7.81 26 H 7.57 2.66 0.00 1.78 1.83 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.07 3.92 0.00 1.58 1.80 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.56 1.33 7.81 28 E 7.62 3.87 0.00 1.92 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 2.27 2.17 0.00 29 F 7.82 3.87 0.00 2.74 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 30 F 8.05 4.57 0.00 3.20 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 31 A 7.81 3.94 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 32 K 7.82 3.81 0.00 1.68 1.61 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.35 7.81 33 V 7.48 3.58 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 0.76 0.00 0.00 0.70 0.00 0.00 34 G 7.79 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 35 L 8.00 4.05 0.00 1.98 1.73 1.17 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.99 4.02 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 37 S 7.51 4.60 0.00 3.89 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 38 K 7.72 4.36 0.00 1.97 1.80 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.62 7.81 39 S 8.32 4.38 0.00 4.07 4.02 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 40 L 8.50 3.97 0.00 1.79 1.74 0.94 1.18 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 41 D 8.15 4.46 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.56 0.00 2.94 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 43 V 7.96 3.81 2.31 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 1.07 0.00 0.00 0.97 0.00 0.00 44 K 8.38 4.17 0.00 2.18 2.11 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.72 7.81 45 K 8.08 4.20 0.00 2.18 1.97 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.77 7.81 46 A 8.21 4.47 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.15 2.92 0.00 2.63 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 48 Y 7.41 3.94 0.00 3.03 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 49 V 7.23 3.70 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.89 0.00 0.00 50 I 7.34 4.05 1.63 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 1.69 1.06 1.02 0.00 0.00 51 D 7.42 4.51 0.00 1.90 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 52 Q 8.05 3.93 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 53 D 8.15 4.65 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 3.99 0.00 1.94 1.93 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.50 7.81 55 S 8.26 4.32 0.00 4.14 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 0.00 56 G 9.76 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 0.00 0.00 0.00 57 F 7.60 5.34 0.00 3.08 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 58 I 9.15 4.77 1.91 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.35 0.82 0.00 0.00 59 E 8.78 4.72 0.00 2.12 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 2.35 2.36 0.00 60 E 8.90 3.84 0.00 2.00 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 2.36 2.36 0.00 61 D 8.08 4.34 0.00 2.89 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 62 E 8.06 4.03 0.00 2.14 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 2.36 2.33 0.00 63 L 7.73 3.84 0.00 1.91 1.57 -0.07 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.37 4.05 0.00 1.83 1.94 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 65 L 7.48 4.72 0.00 1.67 1.76 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.87 4.21 0.00 3.26 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 67 L 7.90 4.12 0.00 1.83 1.69 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.19 4.39 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 69 N 7.83 4.38 0.00 2.25 2.67 0.00 0.00 6.91 7.11 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 70 F 7.80 4.87 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 71 S 7.46 4.53 0.00 3.99 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.21 0.00 2.22 2.19 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 73 S 7.96 4.48 0.00 4.01 4.02 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 74 A 7.84 4.21 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.24 4.08 0.00 1.92 1.95 0.00 3.03 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 76 A 8.10 4.46 1.23 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 0.00 0.00 0.00 77 L 8.52 4.39 0.00 1.48 1.56 0.77 0.01 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 78 T 9.23 4.22 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 1.22 0.00 0.00 79 D 8.83 4.33 0.00 2.72 2.77 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 80 A 7.93 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 81 E 8.17 4.03 0.00 2.26 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 0.00 2.45 2.57 0.00 82 T 8.20 3.95 4.40 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 0.00 0.00 0.00 1.20 0.00 0.00 83 K 8.32 4.08 0.00 2.12 1.83 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 84 A 8.21 4.02 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 85 F 8.39 3.90 0.00 3.31 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 86 L 8.17 3.93 0.00 1.88 1.86 0.95 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 87 A 8.07 4.00 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 88 D 8.24 4.55 0.00 2.88 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 89 G 7.99 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 0.00 0.00 0.00 90 D 8.18 4.85 0.00 2.89 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 91 K 8.16 4.08 0.00 1.82 1.89 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.40 7.81 92 D 8.40 4.65 0.00 2.78 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 93 G 7.97 3.90 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 0.00 0.00 0.00 94 D 8.20 4.48 0.00 2.64 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 95 G 9.14 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 M 8.08 4.93 0.00 1.86 1.73 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 97 I 8.86 4.77 2.01 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 1.27 0.73 1.20 0.00 0.00 98 G 9.59 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 0.00 0.00 0.00 0.00 99 V 7.53 2.13 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 0.00 0.00 0.65 0.00 0.00 0.52 0.00 0.00 100 D 7.76 4.32 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.08 4.02 0.00 2.28 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 0.00 2.45 2.41 0.00 102 F 8.59 4.18 0.00 3.32 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 0.00 103 A 8.25 3.88 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 0.00 104 A 7.93 3.89 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 0.00 105 M 7.86 4.13 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 106 I 6.98 3.89 1.44 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.64 0.00 0.00 107 K 7.71 4.26 0.00 1.69 1.73 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.48 7.81 108 A 8.48 4.30 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.