NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5038 8.1693 120.6430 54.9580 43.1239 175.7919 8 H 4.8874 8.6306 117.0574 53.0784 31.5601 171.2953 9 K 4.6151 9.2569 121.9845 56.0423 34.0690 177.2730 10 E 4.9934 9.0300 122.9940 53.6855 33.5382 173.8319 11 P 5.0093 0.0000 0.0000 63.3023 32.4547 174.8486 12 A 4.9432 8.3640 121.5033 51.4559 23.0854 175.6160 13 T 4.6266 8.4923 114.5591 61.3589 72.3493 173.8654 14 L 4.1848 8.7475 128.5951 55.8982 42.3075 175.2997 15 I 4.3724 8.5060 126.3058 62.0877 38.7299 175.7914 16 K 4.5567 7.5931 120.6566 55.2726 35.7363 173.8149 17 A 4.5419 8.6828 130.7276 51.7473 19.3626 176.8782 18 I 4.1361 8.0381 124.0136 62.8014 38.5061 174.8884 19 D 4.4696 7.4336 117.4803 53.2986 43.8199 175.8796 20 G 3.7463 8.8522 109.5147 47.8829 0.0000 174.0315 21 D 4.8246 8.0201 116.7359 53.1110 40.5053 175.4180 22 T 5.2696 7.7050 115.9852 62.1163 72.8993 173.2816 23 V 4.7491 8.8878 124.3706 59.9872 35.6647 173.7189 24 K 5.0610 9.4385 124.6784 55.3425 33.8124 175.2505 25 L 5.3401 9.3009 126.5118 53.2245 46.9587 175.0814 26 M 4.8568 9.1163 122.1065 54.8373 33.6789 174.2295 27 Y 5.0542 8.8713 127.7436 56.0099 42.0443 175.5918 28 K 3.4171 9.5117 126.8328 57.4809 29.6581 176.4712 29 G 4.0523 8.6201 106.5479 45.1114 0.0000 173.7832 30 Q 4.8648 7.8541 117.7899 53.1748 31.9590 173.3623 31 P 4.8931 0.0000 0.0000 63.8248 32.1767 175.0787 32 M 4.7671 9.1298 120.3823 54.9567 36.4989 173.1199 33 T 4.9711 8.3945 121.4287 62.4000 70.7434 173.5327 34 F 5.0689 9.4994 125.2071 55.5627 42.3613 174.2976 35 R 4.9557 8.9946 123.1760 54.1970 32.2862 175.0031 36 L 4.2917 8.6484 127.5569 54.6478 42.2637 177.3131 37 L 3.8727 8.7165 124.7835 55.3969 42.9551 177.4112 38 L 3.6904 8.7198 119.7176 55.5517 39.5698 174.0910 39 V 4.9653 7.2892 109.2954 59.6449 35.5370 175.2083 40 D 4.8754 9.0920 123.2118 52.9682 43.6873 174.9576 41 T 4.8477 8.3366 113.7065 58.8455 71.5479 172.9494 42 P 4.2464 0.0000 0.0000 62.8751 32.2134 175.6773 43 E 4.3367 10.6670 123.4164 56.3123 30.3075 177.2675 44 T 4.3938 7.7320 119.0511 64.2876 69.8585 175.7126 45 K 4.2905 7.3627 119.1426 54.6680 32.4777 173.6696 *51 V 3.9387 7.6955 122.2741 63.5407 32.6124 174.5608 52 E 4.3727 9.3147 128.3332 55.1344 31.2625 176.2740 53 K 3.9320 8.3937 122.6726 58.1144 32.6180 176.6227 54 Y 4.4544 7.9704 121.9255 58.7875 36.1961 171.6465 55 G 3.6092 8.2505 108.2563 47.2640 0.0000 174.3931 56 P 4.2888 0.0000 0.0000 65.1256 31.2165 178.3402 57 E 4.0043 8.1004 118.0198 59.2118 29.5482 178.7765 58 A 4.0085 8.3014 121.0368 55.2728 18.4917 179.7640 59 S 4.1532 8.3152 113.5358 61.9237 62.8758 176.9846 60 A 4.0594 8.1480 123.3212 54.8028 18.0321 179.4959 61 F 3.9370 8.3872 119.3126 61.7966 39.6692 177.3721 62 T 3.9103 8.2049 115.3040 66.5377 68.2383 176.3033 63 K 3.8429 8.0837 121.2561 59.4938 32.3642 178.5529 64 K 3.8156 8.2231 120.0168 59.8046 31.8848 178.3114 65 M 3.8536 7.6783 117.1408 58.5331 32.0440 177.6400 66 Q 4.1992 7.8795 117.2831 58.2924 29.0157 178.0643 67 E 4.0003 8.4205 119.2973 58.7556 29.5718 178.0697 68 N 4.6251 7.7263 113.3252 52.5245 39.3249 175.2150 69 A 4.5595 6.8685 123.5540 51.5963 19.6030 177.8297 70 K 4.2391 8.9068 120.0685 58.1688 32.8679 178.1170 71 K 4.7519 8.9325 117.5822 54.4685 36.4033 175.6573 72 I 5.0539 8.3589 123.8176 59.6205 40.5152 174.3314 73 E 5.1793 9.2018 124.9424 54.6702 33.9659 175.0035 74 V 4.6993 8.7407 115.5165 59.5314 35.2614 174.7008 75 E 4.8213 8.8571 124.2202 54.5319 32.2926 174.8871 76 F 4.6256 9.0354 125.7970 57.4326 40.3076 175.3221 77 D 4.9689 8.6179 121.1519 53.0023 43.0258 175.9604 78 K 4.3713 8.9901 118.2835 57.4229 33.4487 177.5536 79 G 4.3879 7.8730 110.3697 44.1004 0.0000 173.3855 80 Q 4.1225 8.5796 119.8442 56.4975 29.4273 176.6292 81 R 4.5913 8.5780 119.7603 56.9420 31.0905 176.2268 82 T 5.0840 7.5293 106.9363 59.7553 71.9788 173.4153 83 D 4.8428 8.5817 123.7233 51.7916 41.4462 177.1669 84 K 3.9184 8.4462 117.2654 59.8187 32.4527 177.1221 85 Y 4.3206 8.0856 115.3628 57.6953 37.8847 176.1727 86 G 3.9416 8.1760 108.1753 45.4011 0.0000 174.0191 87 R 4.3526 8.2976 119.5411 55.1897 31.7386 176.4278 88 G 3.7013 8.6815 110.9520 46.1453 0.0000 172.5309 89 L 5.2728 8.9412 123.9663 53.1697 43.0319 175.6086 90 A 4.3916 8.3346 124.9289 51.0927 23.6534 173.7944 91 Y 4.8062 8.5490 116.8289 56.7984 40.0622 175.3676 92 I 4.8019 8.6823 124.3422 59.6542 40.4032 174.1333 93 Y 5.1010 9.1136 123.7206 56.0447 41.3340 174.6194 94 A 4.9120 9.1319 125.0408 50.1275 21.5431 176.2459 95 D 4.2833 9.8317 125.5408 55.9361 38.9256 175.5758 96 G 3.9950 8.2003 104.7727 45.4928 0.0000 173.2353 97 K 4.5153 7.9047 120.4066 54.9162 33.7139 175.4232 98 M 4.0677 8.5160 123.3746 54.9883 33.2213 177.1037 99 V 3.6343 8.8112 127.1298 66.0118 31.6294 177.6080 100 N 4.2933 8.0436 115.8379 56.4198 38.3679 176.7744 101 E 3.8884 8.0529 119.6679 59.2035 29.8891 178.3330 102 A 4.0553 8.0746 120.8048 55.1865 18.3778 179.4956 103 L 3.4888 8.0116 117.3144 57.8574 41.6602 180.0123 104 V 3.7901 7.3952 119.3439 65.5910 31.3052 177.9135 105 R 4.0323 8.0329 117.4619 59.3582 29.9730 177.3592 106 Q 4.2099 7.8915 116.3922 55.5715 29.5282 175.5683 107 G 3.8516 8.3319 107.5070 47.7990 0.0000 174.6067 108 L 4.4281 7.6852 116.7030 53.5159 42.8146 176.2697 109 A 4.5196 7.3335 118.6257 51.2124 22.3556 176.0848 110 K 4.9062 8.4124 119.3020 54.5518 35.3508 175.9501 111 V 4.2493 8.8097 122.9066 62.8726 32.0392 175.9492 112 A 4.4655 8.3695 129.9560 50.7154 20.3043 176.5159 113 Y 4.1583 8.2310 116.7410 57.5153 38.5695 176.7047 114 V 3.6707 8.5591 123.3380 63.4920 32.2687 174.4442 115 Y 4.5391 8.7205 127.7116 56.8810 40.5647 175.5438 116 K 3.7726 9.1969 128.4756 57.4978 29.6314 176.0980 117 G 4.0360 8.0445 103.1815 45.9491 0.0000 173.9741 118 N 4.8356 7.9794 118.8014 51.8359 37.2008 174.2668 119 N 5.2077 8.0987 117.4989 52.5669 38.8811 177.3233 120 T 3.8325 8.5732 118.1548 67.5152 68.7466 174.9232 121 H 4.8814 8.0358 115.8229 55.6195 29.1921 176.3097 122 E 4.0177 8.2339 123.7908 59.5537 29.2282 178.9949 123 Q 3.9589 8.0132 117.5477 58.7609 28.9113 177.9472 124 L 3.9281 7.9747 120.8711 58.5141 42.0806 179.0497 125 L 4.0445 8.0792 118.5999 57.5239 41.4949 179.4690 126 R 3.8802 8.2587 119.2323 59.3293 30.0593 178.7085 127 K 3.9084 8.4186 118.4310 59.4637 32.0479 179.1622 128 A 3.9939 7.9565 121.0030 55.0914 18.2442 179.3543 129 E 3.8792 8.3634 117.6509 59.2788 29.6490 178.7700 130 A 3.7446 7.8962 120.8914 55.1954 18.4099 179.4546 131 Q 3.7853 7.8955 117.3107 59.2148 29.1550 178.2277 132 A 4.0324 7.9536 121.9017 54.7396 18.3221 179.6266 133 K 3.1718 7.7331 118.2573 59.4827 32.0117 179.2583 134 K 3.8741 7.8209 117.4919 59.1796 32.0357 178.2998 135 E 4.2250 7.9779 115.9448 55.3790 30.2927 176.2195 136 K 4.0569 7.8835 117.8939 57.2420 30.5435 175.4284 137 L 4.3124 8.1313 118.0607 55.7098 44.4915 178.2006 138 N 3.6481 9.2372 118.6487 53.9037 38.4829 176.2614 139 I 2.8294 5.4200 126.3374 64.9551 37.4765 176.5231 140 W 4.8104 7.8643 117.7317 56.8112 28.9010 176.5690 141 S 4.3681 8.6757 122.2018 58.9427 62.1646 174.0494 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 L 8.17 4.50 0.00 1.74 1.81 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.63 4.89 0.00 3.33 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.26 4.62 0.00 1.59 1.69 0.00 1.41 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.18 1.31 7.81 10 E 9.03 4.99 0.00 2.15 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 2.30 2.20 0.00 11 P 0.00 5.01 0.00 2.10 2.07 0.00 3.84 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 2.02 2.00 0.00 12 A 8.36 4.94 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 13 T 8.49 4.63 4.27 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 1.23 0.00 0.00 14 L 8.75 4.18 0.00 1.64 1.58 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.51 4.37 2.07 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 1.15 0.80 0.94 0.00 0.00 16 K 7.59 4.56 0.00 1.81 1.61 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 A 8.68 4.54 1.25 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 0.00 0.00 18 I 8.04 4.14 2.00 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 1.19 0.66 0.90 0.00 0.00 19 D 7.43 4.47 0.00 2.63 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 20 G 8.85 3.75 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 0.00 0.00 0.00 21 D 8.02 4.82 0.00 2.82 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 22 T 7.70 5.27 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 1.26 0.00 0.00 23 V 8.89 4.75 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 0.80 0.00 0.00 1.02 0.00 0.00 24 K 9.44 5.06 0.00 1.86 1.83 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 L 9.30 5.34 0.00 1.79 1.59 0.89 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.12 4.86 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 27 Y 8.87 5.05 0.00 3.33 3.07 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 28 K 9.51 3.42 0.00 1.65 1.63 0.00 1.56 0.00 0.00 1.29 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.50 7.81 29 G 8.62 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 30 Q 7.85 4.86 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 31 P 0.00 4.89 0.00 2.14 2.15 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.13 4.77 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.13 0.00 33 T 8.39 4.97 4.20 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 1.21 0.00 0.00 34 F 9.50 5.07 0.00 2.90 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 35 R 8.99 4.96 0.00 1.81 1.72 0.00 3.30 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 36 L 8.65 4.29 0.00 1.51 1.57 0.95 1.29 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 37 L 8.72 3.87 0.00 0.99 1.23 0.31 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.72 3.69 0.00 1.96 1.79 1.15 0.95 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 39 V 7.29 4.97 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 0.78 0.00 0.00 0.91 0.00 0.00 40 D 9.09 4.88 0.00 2.50 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 41 T 8.34 4.85 4.21 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 1.17 0.00 0.00 42 P 0.00 4.25 0.00 2.21 2.17 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 43 E 10.67 4.34 0.00 2.21 1.77 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 2.26 2.29 0.00 44 T 7.73 4.39 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 1.20 0.00 0.00 45 K 7.36 4.29 0.00 1.77 1.73 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.37 7.81 *51 V 7.70 3.94 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 0.76 0.00 0.00 1.00 0.00 0.00 52 E 9.31 4.37 0.00 2.07 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 2.29 2.23 0.00 53 K 8.39 3.93 0.00 1.64 1.68 0.00 1.37 0.00 0.00 1.50 0.00 0.00 2.30 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 0.90 7.81 54 Y 7.97 4.45 0.00 3.18 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 55 G 8.25 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 0.00 0.00 0.00 56 P 0.00 4.29 0.00 2.27 2.31 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 57 E 8.10 4.00 0.00 2.41 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 2.60 2.52 0.00 58 A 8.30 4.01 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 59 S 8.32 4.15 0.00 4.09 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 60 A 8.15 4.06 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 61 F 8.39 3.94 0.00 3.34 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 62 T 8.20 3.91 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 1.23 0.00 0.00 63 K 8.08 3.84 0.00 1.89 2.01 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 64 K 8.22 3.82 0.00 1.81 1.72 0.00 1.65 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.60 7.81 65 M 7.68 3.85 0.00 1.87 1.66 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 66 Q 7.88 4.20 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 67 E 8.42 4.00 0.00 1.95 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 2.33 2.46 0.00 68 N 7.73 4.63 0.00 2.76 2.81 0.00 0.00 6.98 7.03 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 69 A 6.87 4.56 1.32 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 0.00 0.00 70 K 8.91 4.24 0.00 1.93 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.39 7.81 71 K 8.93 4.75 0.00 1.61 1.64 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.36 5.05 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.52 0.85 0.00 0.00 73 E 9.20 5.18 0.00 1.93 1.85 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 2.21 2.26 0.00 74 V 8.74 4.70 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 -0.02 0.00 0.00 0.74 0.00 0.00 75 E 8.86 4.82 0.00 2.24 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 2.53 2.44 0.00 76 F 9.04 4.63 0.00 3.07 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 77 D 8.62 4.97 0.00 2.73 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 78 K 8.99 4.37 0.00 1.90 1.97 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.43 7.81 79 G 7.87 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 0.00 0.00 0.00 0.00 80 Q 8.58 4.12 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 81 R 8.58 4.59 0.00 1.72 1.76 0.00 2.93 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 0.00 82 T 7.53 5.08 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 83 D 8.58 4.84 0.00 2.85 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 84 K 8.45 3.92 0.00 1.59 1.86 0.00 1.25 0.00 0.00 1.29 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.16 0.24 7.81 85 Y 8.09 4.32 0.00 3.07 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 86 G 8.18 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 87 R 8.30 4.35 0.00 1.99 1.85 0.00 3.08 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 88 G 8.68 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 0.00 0.00 0.00 89 L 8.94 5.27 0.00 1.59 1.64 1.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.33 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.55 4.81 0.00 2.96 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 4.80 1.74 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.01 0.84 0.00 0.00 93 Y 9.11 5.10 0.00 2.81 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 94 A 9.13 4.91 1.17 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 0.00 0.00 95 D 9.83 4.28 0.00 2.76 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 96 G 8.20 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 97 K 7.90 4.52 0.00 1.94 1.77 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.38 7.81 98 M 8.52 4.07 0.00 1.88 1.60 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.39 0.00 99 V 8.81 3.63 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 1.03 0.00 0.00 0.92 0.00 0.00 100 N 8.04 4.29 0.00 2.89 2.92 0.00 0.00 6.77 7.66 0.00 0.00 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 8.05 3.89 0.00 1.97 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 0.00 2.37 2.35 0.00 102 A 8.07 4.06 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.49 0.00 1.87 1.63 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.40 3.79 2.20 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 1.34 0.00 0.00 0.96 0.00 0.00 105 R 8.03 4.03 0.00 1.87 2.08 0.00 3.35 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 106 Q 7.89 4.21 0.00 1.97 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.31 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 107 G 8.33 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 0.00 108 L 7.69 4.43 0.00 1.21 1.45 0.43 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.33 4.52 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 0.00 110 K 8.41 4.91 0.00 1.69 1.77 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.30 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.20 1.13 7.81 111 V 8.81 4.25 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 0.95 0.00 0.00 112 A 8.37 4.47 1.27 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 0.00 113 Y 8.23 4.16 0.00 3.06 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 0.00 114 V 8.56 3.67 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 0.87 0.00 0.00 1.05 0.00 0.00 115 Y 8.72 4.54 0.00 3.09 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 0.00 116 K 9.20 3.77 0.00 1.62 1.54 0.00 1.48 0.00 0.00 1.34 0.00 0.00 2.30 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.66 7.81 117 G 8.04 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 0.00 118 N 7.98 4.84 0.00 2.97 2.85 0.00 0.00 6.65 7.49 0.00 0.00 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 N 8.10 5.21 0.00 2.94 3.01 0.00 0.00 6.11 7.22 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 0.00 120 T 8.57 3.83 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 1.02 0.00 0.00 121 H 8.04 4.88 0.00 2.97 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.23 4.02 0.00 2.13 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 2.34 2.40 0.00 123 Q 8.01 3.96 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 L 7.97 3.93 0.00 1.74 1.84 0.96 0.60 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 0.00 125 L 8.08 4.04 0.00 1.78 1.73 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.26 3.88 0.00 2.20 1.91 0.00 3.14 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 127 K 8.42 3.91 0.00 1.98 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.55 7.81 128 A 7.96 3.99 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 0.00 129 E 8.36 3.88 0.00 2.17 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 0.00 2.14 2.54 0.00 130 A 7.90 3.74 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 0.00 131 Q 7.90 3.79 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 7.95 4.03 1.54 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 0.00 0.00 133 K 7.73 3.17 0.00 1.19 1.56 0.00 1.14 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.32 7.81 134 K 7.82 3.87 0.00 1.82 1.81 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.54 7.81 135 E 7.98 4.22 0.00 1.95 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 2.30 2.46 0.00 136 K 7.88 4.06 0.00 1.90 1.91 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 137 L 8.13 4.31 0.00 1.80 1.68 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.24 3.65 0.00 2.53 1.42 0.00 0.00 7.12 7.32 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 0.00 139 I 5.42 2.83 1.14 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.11 -0.16 0.00 0.00 140 W 7.86 4.81 0.00 3.38 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 0.00 141 S 8.68 4.37 0.00 3.98 3.86 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 * Residues marked with a * may have inaccurate shift predictions.