NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.2434 8.2493 123.5762 51.1616 19.8509 176.5793 9 P 4.2569 0.0000 0.0000 62.3168 32.1465 173.8394 10 T 4.3601 8.2306 115.2881 61.5176 71.5063 174.6953 11 L 4.5466 8.2304 128.2460 53.4281 43.4612 175.9043 12 G 4.0097 8.8494 114.3101 45.8985 0.0000 172.4460 13 I 5.2041 8.1841 123.2702 59.4530 40.6396 174.5868 14 I 4.3851 8.8596 128.6603 59.6333 39.3175 174.6703 15 R 4.7364 8.4620 127.5381 55.0933 31.0284 176.0371 16 L 4.3247 8.9086 127.2694 53.7988 43.2738 177.7643 17 E 3.9163 8.9888 120.8179 59.8408 29.4624 178.3641 18 H 4.4024 8.2872 111.2219 57.1594 29.0715 175.3717 19 A 4.4375 7.9484 122.9399 51.8332 19.2759 177.1077 20 K 4.1812 7.6674 116.9940 57.8351 32.4631 177.3118 21 G 4.0186 9.0815 111.7651 45.0779 0.0000 173.4111 22 L 4.5567 7.1868 118.7712 53.0072 43.0919 176.2889 23 D 4.4501 8.3992 121.8829 54.1472 41.3407 176.7491 24 L 4.2129 8.2208 123.2241 53.6321 42.4125 175.1852 25 P 4.3418 0.0000 0.0000 63.2207 31.7489 175.9653 26 A 4.5472 7.7932 123.0213 50.8538 22.1012 175.4021 27 Y 4.3187 8.3174 118.4444 57.4348 38.9219 175.8920 28 E 4.1041 9.0409 125.8088 58.9282 30.2163 176.2759 29 T 4.7346 8.0932 106.6864 59.5357 72.0930 174.3618 30 A 4.0206 8.6403 123.9036 54.3730 18.4079 178.6137 31 G 3.8950 7.5507 103.2785 45.7871 0.0000 174.6668 32 S 4.2123 7.7577 116.8682 58.8688 63.2672 174.3812 33 A 4.3582 8.7415 127.1783 53.5767 19.1976 177.3936 34 G 4.5879 8.0078 101.0292 44.6132 0.0000 172.0502 35 M 4.7274 8.5697 118.3665 52.9535 34.0602 174.8342 36 D 4.9772 8.6007 121.3475 54.3605 42.1134 175.4950 37 L 4.7604 8.9849 122.5684 53.2178 43.9884 175.6678 38 R 5.2244 8.3278 120.5549 54.1579 33.4934 175.1121 39 A 4.5300 8.8719 124.7630 51.4352 19.6336 178.1391 40 A 4.9910 8.7111 126.6764 51.5631 19.0193 177.8428 41 V 3.7256 7.8968 112.3935 61.8891 32.9452 176.7166 42 A 4.0803 8.4265 125.2130 52.2756 18.8214 177.1569 43 E 4.2254 8.5514 121.5738 57.2454 30.3054 175.7983 44 D 4.4255 8.6550 124.2384 55.9362 39.2000 174.4901 45 R 4.8333 7.6654 114.4706 54.4886 33.1379 177.5718 46 Q 4.8068 8.2089 115.4123 54.9886 33.2063 174.5892 47 I 4.2457 8.3789 123.9589 59.9494 38.9739 175.0497 48 V 4.3497 8.3860 128.3045 61.6313 32.2901 174.9232 49 L 4.5560 8.9908 132.4166 53.6366 43.1683 176.0392 50 L 4.6270 8.4524 126.4462 53.4040 43.3994 174.9774 51 P 4.3232 0.0000 0.0000 64.4003 31.6137 177.4384 52 G 3.9919 9.1675 111.3775 45.5256 0.0000 173.8215 53 R 4.6102 7.8929 119.1605 55.3372 31.9699 175.6441 54 R 5.1827 8.2787 116.5205 55.1635 32.6931 174.4539 55 T 4.6030 8.8434 113.5773 61.0067 71.5187 172.0629 56 L 4.8598 8.5120 129.3180 53.8081 43.2963 175.4315 57 V 4.4597 9.0722 128.7064 60.4640 33.4969 173.2632 58 P 4.8896 0.0000 0.0000 63.2673 32.1337 176.8154 59 T 4.5616 8.0411 111.6659 59.9045 70.4081 175.6449 60 G 3.7002 8.8490 110.6455 45.9007 0.0000 172.4000 61 L 5.2438 7.6390 118.8940 52.5711 45.3490 175.4608 62 I 4.7724 8.7598 123.8155 59.5934 39.6722 174.4666 63 L 4.9934 8.6478 126.7010 53.5141 43.5816 176.3264 64 E 4.5666 9.2363 124.2058 54.8891 30.2347 174.2321 65 I 4.8619 8.1086 125.7588 59.2842 38.8135 174.1968 66 P 4.5081 0.0000 0.0000 62.0211 32.2758 175.5349 67 Q 4.0489 8.4467 120.9421 57.8009 29.5574 176.5894 68 G 3.7088 9.5811 112.1292 45.2900 0.0000 172.2054 69 Y 4.9490 7.2014 114.4245 55.9399 42.0776 173.9555 70 E 4.8522 8.7730 119.1046 54.7274 33.9246 174.1704 71 V 4.9166 8.5203 119.9218 61.2851 34.4750 174.0618 72 Q 4.9970 9.2994 126.7657 54.3843 31.1580 174.5511 73 I 4.6842 8.6741 125.8199 60.3226 38.5748 175.1905 74 R 5.0090 8.8915 126.1577 53.3494 33.9880 173.7913 75 P 4.6907 0.0000 0.0000 62.4782 32.5182 176.6571 76 R 4.1717 8.4405 121.7246 55.9073 31.0771 177.9334 77 S 4.2436 8.8539 117.0049 61.3337 62.4952 176.6402 78 G 3.6772 8.0548 108.0590 47.8761 0.0000 175.5730 79 L 4.3144 8.1819 122.2385 56.6900 41.6842 179.2337 80 A 4.4040 7.7763 121.6327 54.6233 18.1685 179.4164 81 F 4.1890 8.2060 117.6925 61.6558 39.6547 177.2583 82 K 3.8353 8.4482 117.0743 58.4504 32.1533 177.6285 83 N 4.7556 8.3742 114.1380 51.9095 40.6194 175.9266 84 G 3.8995 8.2119 106.6034 45.8423 0.0000 172.7901 85 I 4.3496 7.1241 120.4839 60.7864 38.6829 174.9175 86 T 4.9729 8.5793 119.8810 60.9570 72.0197 171.6624 87 C 4.8709 8.4105 120.6397 58.3428 28.8074 175.1449 88 L 3.9514 8.7737 127.5709 57.5679 41.8713 177.0604 89 N 4.8557 7.8560 113.9264 52.8068 37.7559 174.7185 90 T 4.2144 7.3613 113.6132 62.2476 68.1838 171.8262 91 P 4.6104 0.0000 0.0000 62.3636 32.5627 175.9148 92 G 3.7299 9.0212 112.7636 46.3171 0.0000 172.4567 93 T 4.8084 8.4337 123.0169 62.7339 69.9481 174.3086 94 I 4.3461 8.7995 127.9718 59.6038 40.0262 175.2405 95 D 5.2185 8.4969 127.4995 51.6229 41.8680 177.4037 96 S 4.5720 8.6075 111.5735 59.9620 63.2280 174.8678 97 D 4.4840 7.9638 119.9464 55.9264 41.0371 175.9038 98 Y 4.1684 7.9194 120.4833 57.7015 38.5870 175.0748 99 R 4.4183 7.9737 125.5614 55.7362 31.0786 176.1312 100 G 3.5337 5.9013 107.1948 43.8812 0.0000 173.6434 101 E 4.1458 8.4422 120.3830 56.1357 30.3622 176.3883 102 V 4.0199 9.0885 126.9716 62.8893 32.6312 174.8098 103 K 5.0795 8.6651 126.5290 54.6179 35.6787 175.4773 104 V 4.1835 8.8694 124.8842 61.2896 33.7409 174.3985 105 L 4.6864 8.5138 130.4348 54.0154 42.6181 174.6915 106 L 5.0824 8.7842 127.0829 53.4695 43.9933 175.7580 107 I 4.8340 8.6924 122.3830 59.2502 41.7848 173.9524 108 N 4.8483 9.0490 128.1268 52.3347 39.3371 174.2506 109 L 4.6244 8.6361 126.3342 54.6007 42.6612 177.0940 110 G 4.2130 7.9950 109.5561 43.6033 0.0000 173.1917 111 D 4.6895 8.5220 116.7669 54.2181 42.0257 175.7196 112 D 5.0704 7.6171 117.8331 51.9680 43.8720 175.4145 113 D 4.7937 8.6673 121.8785 54.4512 42.0125 175.5658 114 F 4.8782 9.1513 123.9257 56.5574 42.2017 173.8997 115 R 4.7811 7.9550 125.2856 54.7464 31.4878 175.7042 116 I 4.1004 8.8293 126.4255 60.1108 38.7622 175.1084 117 E 4.9579 8.3999 125.4316 53.7298 33.7868 175.4833 118 R 4.0385 8.4280 121.6669 58.0642 30.4436 176.9083 119 G 3.9874 9.0499 114.6382 45.3712 0.0000 173.5395 120 M 4.0849 7.7528 120.3802 55.4342 32.7456 175.3286 121 R 4.6044 8.5471 125.3319 55.9709 30.5126 176.2500 122 I 4.4360 8.4775 115.6106 60.3834 39.0658 174.3477 123 A 4.6461 7.3006 121.9127 51.5678 22.7065 174.5752 124 Q 5.0669 9.1073 116.2968 54.4872 32.3050 174.2971 125 A 5.2227 9.1464 123.0616 50.2397 21.9440 175.4156 126 V 4.6619 8.9002 122.9053 61.0424 34.1691 173.9196 127 F 5.2845 9.0940 130.0715 56.8356 40.7498 174.3928 128 A 4.9456 8.2334 126.3902 49.8434 22.9887 173.6634 129 P 4.7191 0.0000 0.0000 62.8659 32.2710 176.1300 130 V 4.5982 8.1714 120.7109 59.9099 34.1882 174.8176 131 I 4.4880 8.3537 115.5004 59.0191 40.2991 174.6596 132 Q 4.5161 8.3242 120.3502 53.4086 30.4338 174.2084 133 P 4.5589 0.0000 0.0000 61.5921 32.5123 176.1653 134 K 4.0574 8.3503 118.9316 56.5586 32.4956 176.7247 135 I 4.2531 8.1886 124.0937 59.7030 38.1610 174.7053 136 E 4.5626 8.5034 125.9843 53.8723 31.6674 174.8591 137 E 4.1873 8.7109 127.2776 56.1276 30.4714 175.6696 138 R 4.7116 8.2053 122.4843 54.6360 34.3736 174.6816 139 A 4.4203 8.7802 123.9344 53.6925 20.3123 177.9823 140 K 4.7481 7.5544 113.8449 52.4417 35.8713 178.1922 141 I 4.0791 7.8876 118.1234 61.4300 38.9943 175.5306 *147 G 3.6344 8.3617 108.6478 45.7443 0.0000 172.7700 148 A 4.0244 8.3082 126.2713 51.9446 19.0521 176.3519 149 G 3.3594 8.0870 115.6915 45.2280 0.0000 173.8504 150 G 3.9310 7.2652 109.2721 44.0453 0.0000 173.5943 151 F 4.3260 8.4530 116.6418 57.4998 39.5949 175.6224 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 8 A 8.25 4.24 1.18 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 0.00 0.00 9 P 0.00 4.26 0.00 1.87 1.71 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.00 10 T 8.23 4.36 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 1.17 0.00 0.00 11 L 8.23 4.55 0.00 1.41 1.43 1.14 1.11 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 12 G 8.85 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 13 I 8.18 5.20 1.87 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 1.36 0.71 0.91 0.00 0.00 14 I 8.86 4.39 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 1.11 0.79 0.90 0.00 0.00 15 R 8.46 4.74 0.00 1.80 1.82 0.00 3.22 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 16 L 8.91 4.32 0.00 1.52 1.59 0.95 0.63 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 17 E 8.99 3.92 0.00 2.06 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 2.40 2.40 0.00 18 H 8.29 4.40 0.00 3.44 3.38 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.95 4.44 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 20 K 7.67 4.18 0.00 1.83 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.56 7.81 21 G 9.08 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 22 L 7.19 4.56 0.00 1.79 1.59 0.96 1.07 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 23 D 8.40 4.45 0.00 2.65 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 24 L 8.22 4.21 0.00 1.61 1.58 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.34 0.00 1.93 1.88 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 2.00 2.05 0.00 26 A 7.79 4.55 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 27 Y 8.32 4.32 0.00 2.99 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 28 E 9.04 4.10 0.00 1.96 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 2.32 2.32 0.00 29 T 8.09 4.73 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 30 A 8.64 4.02 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 31 G 7.55 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 32 S 7.76 4.21 0.00 4.19 4.17 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 33 A 8.74 4.36 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 34 G 8.01 4.59 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 0.00 35 M 8.57 4.73 0.00 0.63 1.75 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 36 D 8.60 4.98 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 4.76 0.00 1.55 1.55 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.33 5.22 0.00 1.74 1.80 0.00 3.26 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 39 A 8.87 4.53 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 40 A 8.71 4.99 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 41 V 7.90 3.73 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 0.73 0.00 0.00 0.94 0.00 0.00 42 A 8.43 4.08 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 43 E 8.55 4.23 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 2.29 2.38 0.00 44 D 8.66 4.43 0.00 2.85 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 45 R 7.67 4.83 0.00 1.82 1.64 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 46 Q 8.21 4.81 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 47 I 8.38 4.25 1.88 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 1.12 0.84 0.93 0.00 0.00 48 V 8.39 4.35 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 0.75 0.00 0.00 0.90 0.00 0.00 49 L 8.99 4.56 0.00 1.88 1.80 0.98 0.59 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 50 L 8.45 4.63 0.00 1.66 1.58 0.93 1.13 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 51 P 0.00 4.32 0.00 2.04 2.20 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 52 G 9.17 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 53 R 7.89 4.61 0.00 1.83 1.86 0.00 3.24 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 54 R 8.28 5.18 0.00 1.87 1.86 0.00 3.05 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 55 T 8.84 4.60 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 1.26 0.00 0.00 56 L 8.51 4.86 0.00 1.68 1.59 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 V 9.07 4.46 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 1.01 0.00 0.00 0.98 0.00 0.00 58 P 0.00 4.89 0.00 2.34 2.21 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 59 T 8.04 4.56 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 1.28 0.00 0.00 60 G 8.85 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 61 L 7.64 5.24 0.00 1.53 1.54 0.92 0.98 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 62 I 8.76 4.77 1.87 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 1.37 0.78 0.91 0.00 0.00 63 L 8.65 4.99 0.00 1.63 1.68 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.24 4.57 0.00 1.89 1.92 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 2.25 2.27 0.00 65 I 8.11 4.86 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.25 1.04 0.00 0.00 66 P 0.00 4.51 0.00 2.43 2.28 0.00 4.04 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 2.22 2.14 0.00 67 Q 8.45 4.05 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 68 G 9.58 3.71 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 0.00 0.00 0.00 69 Y 7.20 4.95 0.00 2.99 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 0.00 0.00 0.00 70 E 8.77 4.85 0.00 1.89 1.91 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 2.19 2.14 0.00 71 V 8.52 4.92 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 1.12 0.00 0.00 1.13 0.00 0.00 72 Q 9.30 5.00 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 73 I 8.67 4.68 1.85 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 1.36 0.94 0.91 0.00 0.00 74 R 8.89 5.01 0.00 1.71 1.79 0.00 3.15 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 75 P 0.00 4.69 0.00 1.93 1.96 0.00 3.67 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 2.02 2.11 0.00 76 R 8.44 4.17 0.00 1.89 1.87 0.00 3.15 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 77 S 8.85 4.24 0.00 3.89 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 78 G 8.05 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.18 4.31 0.00 1.63 1.51 1.02 1.26 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 80 A 7.78 4.40 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 F 8.21 4.19 0.00 2.94 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 82 K 8.45 3.84 0.00 1.82 1.83 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.76 7.81 83 N 8.37 4.76 0.00 2.63 2.72 0.00 0.00 6.95 8.84 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 84 G 8.21 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 85 I 7.12 4.35 1.35 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.58 0.00 0.00 86 T 8.58 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 1.18 0.00 0.00 87 C 8.41 4.87 0.00 2.91 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 88 L 8.77 3.95 0.00 1.59 1.69 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.86 4.86 0.00 2.84 2.86 0.00 0.00 5.96 7.71 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 90 T 7.36 4.21 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 1.22 0.00 0.00 91 P 0.00 4.61 0.00 2.11 2.04 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 92 G 9.02 3.73 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 0.00 0.00 0.00 93 T 8.43 4.81 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 1.17 0.00 0.00 94 I 8.80 4.35 1.88 0.00 0.00 0.62 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 1.03 1.00 0.00 0.00 95 D 8.50 5.22 0.00 2.80 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 96 S 8.61 4.57 0.00 4.16 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 97 D 7.96 4.48 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 98 Y 7.92 4.17 0.00 2.94 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 99 R 7.97 4.42 0.00 1.65 1.76 0.00 3.39 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 100 G 5.90 3.53 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 0.00 0.00 0.00 0.00 101 E 8.44 4.15 0.00 1.98 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 2.35 0.00 102 V 9.09 4.02 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 0.91 0.00 0.00 1.04 0.00 0.00 103 K 8.67 5.08 0.00 1.66 1.68 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.64 7.81 104 V 8.87 4.18 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 0.94 0.00 0.00 0.95 0.00 0.00 105 L 8.51 4.69 0.00 1.81 1.73 0.96 0.64 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 0.00 106 L 8.78 5.08 0.00 1.67 1.55 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.69 4.83 1.86 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 1.09 1.67 0.89 0.00 0.00 108 N 9.05 4.85 0.00 2.82 2.86 0.00 0.00 6.97 6.33 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 0.00 109 L 8.64 4.62 0.00 1.65 1.62 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.99 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 0.00 0.00 0.00 0.00 111 D 8.52 4.69 0.00 2.63 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 0.00 112 D 7.62 5.07 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.67 4.79 0.00 2.62 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 0.00 114 F 9.15 4.88 0.00 3.06 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 0.00 115 R 7.96 4.78 0.00 1.50 1.69 0.00 3.17 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 116 I 8.83 4.10 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.94 0.00 0.00 117 E 8.40 4.96 0.00 1.81 1.76 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 2.21 2.15 0.00 118 R 8.43 4.04 0.00 1.87 1.96 0.00 3.45 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 119 G 9.05 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 0.00 120 M 7.75 4.08 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 121 R 8.55 4.60 0.00 1.87 1.88 0.00 3.44 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 122 I 8.48 4.44 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 1.08 0.00 0.00 123 A 7.30 4.65 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 0.00 124 Q 9.11 5.07 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 125 A 9.15 5.22 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 0.00 126 V 8.90 4.66 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 1.05 0.00 0.00 1.00 0.00 0.00 127 F 9.09 5.28 0.00 3.20 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 0.00 128 A 8.23 4.95 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 0.00 129 P 0.00 4.72 0.00 1.97 1.96 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 130 V 8.17 4.60 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 0.64 0.00 0.00 0.87 0.00 0.00 131 I 8.35 4.49 1.82 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 1.37 0.70 0.84 0.00 0.00 132 Q 8.32 4.52 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 133 P 0.00 4.56 0.00 2.16 2.03 0.00 3.75 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 1.97 1.97 0.00 134 K 8.35 4.06 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 135 I 8.19 4.25 1.87 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 1.29 0.80 0.91 0.00 0.00 136 E 8.50 4.56 0.00 1.87 1.79 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 0.00 2.16 2.24 0.00 137 E 8.71 4.19 0.00 1.97 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 2.33 0.00 138 R 8.21 4.71 0.00 1.77 1.75 0.00 3.24 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 139 A 8.78 4.42 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 0.00 140 K 7.55 4.75 0.00 1.74 1.55 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.98 7.81 141 I 7.89 4.08 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 1.35 0.94 0.91 0.00 0.00 *147 G 8.36 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.02 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 0.00 149 G 8.09 3.36 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 0.00 150 G 7.27 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 0.00 0.00 0.00 151 F 8.45 4.33 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.