NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3906 0.0000 0.0000 62.3964 32.5842 176.8159 6 T 3.8580 8.2691 113.9991 60.9208 70.5929 173.4299 7 I 3.6665 8.5348 123.6620 64.8289 37.6318 178.8979 8 N 4.1906 8.2524 117.0384 57.2342 38.6123 176.1920 9 Q 4.0154 7.7865 119.0410 59.4167 28.7122 179.5290 10 L 4.0470 8.0843 119.6723 57.6565 41.3927 179.6892 11 V 3.6222 7.6672 117.0619 64.7188 31.6305 177.1574 12 R 3.8588 8.1879 117.1672 57.1984 29.2646 177.6555 13 K 3.8359 5.6600 123.0573 59.9766 33.1816 177.6720 14 G 4.2036 7.9639 104.5998 45.0109 0.0000 173.3115 15 R 4.1564 8.2385 118.4219 55.5454 30.9438 175.7430 16 E 4.5404 8.3480 121.5106 53.9524 31.1187 175.7390 17 K 4.0996 8.4630 127.4997 56.1253 32.3067 176.1273 18 V 3.4331 7.5691 118.9147 59.5518 32.0482 172.0539 19 R 4.0136 8.0385 128.8331 55.8411 31.1797 175.9622 20 K 4.6707 8.3531 122.8746 54.6832 35.4962 175.3024 21 K 4.1904 8.2825 119.2604 55.1095 32.9342 176.7806 22 S 4.0931 8.5632 118.2189 58.2917 61.2325 174.3298 23 K 3.7480 8.3933 128.7273 58.0605 32.0696 177.0575 24 V 4.0271 7.7389 118.1865 62.4299 33.3793 172.5339 25 P 4.5318 0.0000 0.0000 61.7843 29.9514 176.9933 26 A 4.0742 7.5852 118.3603 53.5658 19.8137 177.6883 27 L 4.1244 6.8995 112.8522 53.3916 39.8219 177.7889 28 K 4.2466 8.5863 122.4469 58.7963 29.8480 176.2887 29 G 4.0005 7.8436 99.2731 46.1797 0.0000 172.5239 30 A 4.2121 7.8501 120.4104 50.7048 19.4340 176.7352 31 P 3.9996 0.0000 0.0000 65.1684 31.4396 176.3446 32 F 5.0604 7.5467 112.2144 56.2372 43.7398 173.1910 33 R 4.7423 8.8509 118.3930 54.9340 33.2799 173.9188 34 R 4.9758 8.4689 124.6581 55.6823 32.4490 174.8923 35 G 3.9953 8.3581 109.6997 46.0492 0.0000 171.9673 36 V 4.7376 8.3558 119.0638 60.9202 35.1784 174.1974 37 C 4.9278 8.6752 123.6920 60.0860 28.1600 173.6701 38 T 4.0779 8.9319 120.1496 64.5530 67.2915 174.6851 39 V 4.5470 7.6928 119.7544 60.9269 35.6829 174.2223 40 V 4.5888 8.3910 123.9406 61.5894 33.4831 173.6066 41 R 4.8528 8.5891 132.7176 55.7460 33.7504 174.5475 42 T 5.3830 8.2568 110.9082 62.3201 68.6992 175.1613 43 V 4.3083 8.1076 122.7732 60.4649 34.5999 174.3783 44 T 4.9401 8.1514 109.9366 59.6917 71.3885 172.1943 45 P 4.5368 0.0000 0.0000 62.1801 32.0798 177.3281 46 K 4.5463 8.2678 121.9910 56.8703 31.8470 177.8923 47 K 3.7929 8.2950 110.7737 57.2591 32.5689 173.8791 48 P 4.6659 0.0000 0.0000 62.5230 32.6058 175.8118 49 N 4.7572 7.2692 117.0560 52.8349 40.0643 174.1683 50 S 4.4314 7.3650 110.4355 57.3850 65.2926 174.1447 51 A 4.3221 7.5612 127.5812 52.6987 22.8988 175.5737 52 L 4.9667 8.2190 112.3085 53.0390 42.7183 175.4730 53 R 4.2899 8.6664 121.8825 55.6382 31.9571 175.7373 54 K 4.5373 8.8672 123.6897 56.3659 33.1155 176.1431 55 V 4.9924 8.6208 124.1520 61.0283 35.9346 173.9920 56 A 5.2970 8.7173 125.3183 48.9115 22.4806 175.6663 57 K 4.6049 8.7952 122.3300 56.3170 33.6582 176.1050 58 V 4.6776 9.1491 125.1742 60.9927 34.5989 174.5238 59 R 4.4821 9.6277 129.8792 55.4445 30.4397 175.8603 60 L 4.8812 8.3503 127.0626 54.2509 42.5169 177.6517 61 T 4.0462 8.1128 109.9145 64.8777 68.9495 175.6235 62 S 4.4437 8.0747 117.2164 58.6827 63.0611 175.3579 63 G 4.0053 8.3816 106.8973 47.7536 0.0000 176.3727 64 Y 4.3074 8.1052 119.5662 58.0074 37.5815 174.9687 65 E 6.3000 8.2142 135.0000 57.3202 32.1309 177.6337 66 V 4.8001 7.6052 119.2459 59.7548 36.5576 174.0957 67 T 4.4212 8.7086 113.9783 61.9019 69.9244 173.0923 68 A 5.2854 9.1914 126.8929 50.2382 23.1861 174.0924 69 Y 4.7990 8.8789 121.1304 56.8833 40.7935 174.6924 70 I 4.3957 6.8281 126.2347 58.7519 38.3216 173.9894 71 P 4.3385 0.0000 0.0000 62.9519 32.4684 177.7666 72 G 4.0843 8.9102 106.1015 45.4818 0.0000 172.6293 73 E 4.4342 8.4449 120.6713 55.3065 32.0861 175.7596 74 G 4.1219 9.7277 112.5186 45.7711 0.0000 172.2222 75 H 4.6905 7.8919 112.6932 55.5785 30.7439 173.1535 76 N 5.0087 8.5540 111.1444 52.6961 37.1091 174.7277 77 L 4.6218 7.9729 116.9251 53.8709 44.5017 176.5835 78 Q 4.7176 8.6350 123.0439 53.4908 31.5711 176.0046 79 E 4.1035 8.7718 118.5850 59.0378 29.5238 176.7372 80 H 4.8859 7.9482 112.3308 55.5712 30.7453 173.4148 81 S 4.3898 8.2255 117.6938 58.3571 63.0588 174.9403 82 V 4.4784 9.2536 125.0072 61.8827 32.6084 175.1202 83 V 4.7465 7.2772 123.4683 61.6961 32.9076 169.8326 84 L 5.3350 7.9537 123.8464 53.5200 45.4185 174.7270 85 I 4.8870 8.9653 125.4454 60.0099 39.6960 175.5553 86 R 4.4727 10.0559 127.2229 57.9367 31.5511 176.4289 87 G 4.0158 9.9383 107.4039 45.9503 0.0000 171.9149 88 G 4.2322 7.6438 110.7641 43.8654 0.0000 171.8732 89 R 4.1630 8.1227 118.3179 55.7611 30.9277 176.7360 90 V 4.1105 7.8512 117.0768 61.8460 32.0620 176.6759 91 K 4.2144 8.2170 134.6114 55.0618 31.5273 176.2998 92 D 4.7191 10.6100 115.6296 54.2815 47.3800 173.7287 93 L 4.8155 7.4085 119.3075 50.7886 41.7618 172.0708 94 P 4.2124 0.0000 0.0000 63.4775 32.1474 174.8762 95 G 4.0479 8.9856 115.0358 46.2092 0.0000 174.2786 96 V 4.1968 7.7260 120.4524 62.0402 32.0102 175.5977 97 R 4.5477 8.1704 123.5247 55.7516 32.5444 174.4824 98 Y 4.9860 7.8079 116.0600 56.8009 42.7820 173.5808 99 H 5.2847 9.0379 118.3025 54.1785 32.1416 173.6272 100 I 4.4452 8.5720 123.1865 60.7997 37.9655 175.9510 101 V 3.7646 8.4918 128.0580 62.3153 31.7006 176.0463 102 R 3.9330 8.3930 128.1299 57.5177 30.5543 176.8925 103 G 3.8895 8.9047 110.2627 45.2005 0.0000 173.0206 104 V 4.0543 6.9139 117.3597 61.6597 34.9088 176.5673 105 Y 3.6040 8.1502 122.9150 59.2082 36.2205 172.4781 106 D 4.5578 9.0940 124.4025 55.8279 40.5390 176.0344 107 A 4.4476 8.5372 124.4645 49.8400 19.1256 177.0659 108 A 4.4153 8.6174 124.7901 53.1834 19.2263 178.0750 109 G 4.0276 8.1030 105.8338 45.3623 0.0000 172.3144 110 V 4.3641 7.9592 120.0019 61.1557 33.1025 176.5678 111 K 3.9929 8.6869 129.8735 57.2723 32.6381 176.0984 112 D 4.4521 8.7967 125.0252 54.9852 38.4816 173.4353 113 R 4.3274 7.3894 117.9948 55.5866 30.8304 176.3468 114 K 4.5959 8.2746 121.1188 56.8826 35.7438 179.2320 115 K 4.5023 7.6498 120.3665 55.0480 31.2286 178.4527 116 S 4.2438 8.7087 123.4662 59.8113 62.7710 174.3090 117 R 4.8765 8.4352 121.4217 54.6373 31.8940 176.5641 118 S 4.0059 7.7806 111.6702 61.7363 62.8519 173.6944 119 K 3.9840 7.7557 118.1114 58.5157 32.5192 177.6599 120 Y 3.7097 8.2512 119.3417 57.4645 35.6219 169.2323 121 G 3.9715 7.6038 108.8939 46.7231 0.0000 173.3005 122 T 4.6285 7.2216 113.5011 61.1612 70.5722 175.9743 123 K 4.1060 8.3470 124.8021 55.8802 32.7712 176.7323 124 K 4.0504 8.4140 123.2398 55.7391 32.3459 175.1449 125 P 4.5793 0.0000 0.0000 61.7758 32.5494 175.5182 126 K 4.2678 8.2213 120.4746 56.0564 32.9457 176.7678 127 E 4.0225 8.8000 124.2329 56.8555 30.2958 175.9899 128 A 3.4346 7.7249 120.4817 52.5109 15.2313 176.8065 *129 A 4.1172 7.7908 124.5022 51.7057 18.9464 177.1177 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 5 P 0.00 4.39 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 8.27 3.86 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 1.21 0.00 0.00 7 I 8.53 3.67 1.87 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 1.52 0.82 0.91 0.00 0.00 8 N 8.25 4.19 0.00 2.78 2.84 0.00 0.00 7.08 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 9 Q 7.79 4.02 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 10 L 8.08 4.05 0.00 1.89 1.71 1.01 0.66 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 11 V 7.67 3.62 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 0.87 0.00 0.00 0.96 0.00 0.00 12 R 8.19 3.86 0.00 1.97 1.71 0.00 3.25 0.00 0.00 3.22 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 13 K 5.66 3.84 0.00 1.86 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 G 7.96 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 0.00 0.00 0.00 0.00 15 R 8.24 4.16 0.00 1.81 1.87 0.00 3.35 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 16 E 8.35 4.54 0.00 1.90 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 0.00 2.20 2.26 0.00 17 K 8.46 4.10 0.00 1.75 1.69 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.57 3.43 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 8.04 4.01 0.00 1.95 1.99 0.00 3.18 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 K 8.35 4.67 0.00 1.85 1.73 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.34 7.81 21 K 8.28 4.19 0.00 1.74 1.78 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 22 S 8.56 4.09 0.00 3.85 3.80 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 23 K 8.39 3.75 0.00 1.71 1.77 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 24 V 7.74 4.03 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 1.00 0.00 0.00 0.66 0.00 0.00 25 P 0.00 4.53 0.00 2.14 2.21 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 26 A 7.59 4.07 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 27 L 6.90 4.12 0.00 1.71 1.55 1.02 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.59 4.25 0.00 1.74 1.81 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 29 G 7.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 4.21 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 31 P 0.00 4.00 0.00 2.09 1.93 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 32 F 7.55 5.06 0.00 2.90 3.21 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 33 R 8.85 4.74 0.00 1.88 1.64 0.00 3.31 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 34 R 8.47 4.98 0.00 2.03 1.75 0.00 2.65 0.00 0.00 2.83 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 35 G 8.36 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.74 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 1.05 0.00 0.00 0.89 0.00 0.00 37 C 8.68 4.93 0.00 3.05 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 38 T 8.93 4.08 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 1.26 0.00 0.00 39 V 7.69 4.55 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 0.94 0.00 0.00 0.94 0.00 0.00 40 V 8.39 4.59 2.10 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 0.91 0.00 0.00 0.95 0.00 0.00 41 R 8.59 4.85 0.00 1.92 1.77 0.00 3.18 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 42 T 8.26 5.38 4.28 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 1.24 0.00 0.00 43 V 8.11 4.31 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 0.99 0.00 0.00 1.04 0.00 0.00 44 T 8.15 4.94 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 1.23 0.00 0.00 45 P 0.00 4.54 0.00 1.86 2.29 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 46 K 8.27 4.55 0.00 1.96 1.22 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.34 7.81 47 K 8.29 3.79 0.00 1.76 1.51 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 48 P 0.00 4.67 0.00 2.20 2.11 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 49 N 7.27 4.76 0.00 2.77 2.81 0.00 0.00 6.65 7.45 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 50 S 7.37 4.43 0.00 3.78 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 51 A 7.56 4.32 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 52 L 8.22 4.97 0.00 1.51 1.61 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.67 4.29 0.00 1.87 2.14 0.00 3.24 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 54 K 8.87 4.54 0.00 1.76 1.80 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.57 7.81 55 V 8.62 4.99 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 1.05 0.00 0.00 1.17 0.00 0.00 56 A 8.72 5.30 1.19 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 0.00 0.00 57 K 8.80 4.60 0.00 1.74 1.76 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.46 7.81 58 V 9.15 4.68 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 1.03 0.00 0.00 0.97 0.00 0.00 59 R 9.63 4.48 0.00 1.83 1.80 0.00 3.19 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 60 L 8.35 4.88 0.00 1.60 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.11 4.05 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 1.24 0.00 0.00 62 S 8.07 4.44 0.00 4.46 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 0.00 63 G 8.38 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 64 Y 8.11 4.31 0.00 2.87 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 65 E 8.21 6.30 0.00 2.11 1.95 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 2.09 1.94 0.00 66 V 7.61 4.80 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 0.94 0.00 0.00 0.61 0.00 0.00 67 T 8.71 4.42 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 1.26 0.00 0.00 68 A 9.19 5.29 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 69 Y 8.88 4.80 0.00 2.93 2.66 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 0.00 0.00 0.00 0.00 70 I 6.83 4.40 1.81 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 0.99 0.47 0.79 0.00 0.00 71 P 0.00 4.34 0.00 1.75 1.75 0.00 3.59 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 1.96 2.09 0.00 72 G 8.91 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 73 E 8.44 4.43 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 2.22 2.28 0.00 74 G 9.73 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 0.00 0.00 0.00 75 H 7.89 4.69 0.00 3.20 3.28 0.00 5.54 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.55 5.01 0.00 2.82 2.85 0.00 0.00 5.67 7.79 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 77 L 7.97 4.62 0.00 1.45 1.56 0.82 0.97 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 78 Q 8.63 4.72 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 79 E 8.77 4.10 0.00 1.98 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 0.00 2.34 2.42 0.00 80 H 7.95 4.89 0.00 3.07 3.25 0.00 5.95 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.23 4.39 0.00 3.91 3.80 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 82 V 9.25 4.48 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 0.63 0.00 0.00 0.85 0.00 0.00 83 V 7.28 4.75 2.12 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 0.70 0.00 0.00 0.95 0.00 0.00 84 L 7.95 5.33 0.00 1.72 1.34 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.97 4.89 2.10 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 1.05 1.00 0.90 0.00 0.00 86 R 10.06 4.47 0.00 1.97 2.15 0.00 3.40 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.15 0.00 87 G 9.94 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 0.00 0.00 0.00 88 G 7.64 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 0.00 0.00 0.00 0.00 89 R 8.12 4.16 0.00 1.82 1.87 0.00 3.03 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 90 V 7.85 4.11 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 0.67 0.00 0.00 0.57 0.00 0.00 91 K 8.22 4.21 0.00 1.69 1.77 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.48 7.81 92 D 10.61 4.72 0.00 2.68 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 93 L 7.41 4.82 0.00 1.65 1.53 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.21 0.00 2.02 2.03 0.00 3.64 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 2.11 0.00 95 G 8.99 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 96 V 7.73 4.20 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 0.90 0.00 0.00 0.98 0.00 0.00 97 R 8.17 4.55 0.00 1.30 1.26 0.00 3.04 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 98 Y 7.81 4.99 0.00 2.92 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 99 H 9.04 5.28 0.00 3.21 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.57 4.45 1.95 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 1.12 0.49 0.87 0.00 0.00 101 V 8.49 3.76 1.89 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 0.48 0.00 0.00 0.83 0.00 0.00 102 R 8.39 3.93 0.00 1.75 1.82 0.00 3.55 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 103 G 8.90 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 0.00 104 V 6.91 4.05 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 -0.19 0.00 0.00 0.61 0.00 0.00 105 Y 8.15 3.60 0.00 3.22 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 0.00 106 D 9.09 4.56 0.00 2.92 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 0.00 107 A 8.54 4.45 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 0.00 108 A 8.62 4.42 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 0.00 109 G 8.10 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 0.00 110 V 7.96 4.36 2.12 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 0.94 0.00 0.00 1.23 0.00 0.00 111 K 8.69 3.99 0.00 1.81 1.70 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.47 7.81 112 D 8.80 4.45 0.00 2.86 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 0.00 113 R 7.39 4.33 0.00 1.77 1.77 0.00 2.98 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 114 K 8.27 4.60 0.00 1.70 1.75 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.39 7.81 115 K 7.65 4.50 0.00 1.65 1.39 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.33 7.81 116 S 8.71 4.24 0.00 4.05 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 0.00 117 R 8.44 4.88 0.00 1.86 2.14 0.00 3.51 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 118 S 7.78 4.01 0.00 3.87 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 0.00 119 K 7.76 3.98 0.00 2.20 1.60 0.00 1.89 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.58 7.81 120 Y 8.25 3.71 0.00 3.10 3.26 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 0.00 121 G 7.60 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 0.00 122 T 7.22 4.63 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 1.30 0.00 0.00 123 K 8.35 4.11 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.41 4.05 0.00 1.69 1.73 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 125 P 0.00 4.58 0.00 2.21 2.02 0.00 3.81 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 1.97 1.94 0.00 126 K 8.22 4.27 0.00 1.71 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.60 7.81 127 E 8.80 4.02 0.00 1.99 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 2.29 2.24 0.00 128 A 7.72 3.43 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 *129 A 7.79 4.12 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 * Residues marked with a * may have inaccurate shift predictions.