NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 G 3.9359 8.3549 109.7397 45.3622 0.0000 172.7789 -5 L 4.6896 8.1101 119.0277 53.4696 43.3708 171.5303 -4 V 4.5865 9.3936 114.7480 59.0728 37.0352 172.4191 -3 P 4.8041 0.0000 0.0000 63.3174 31.7598 175.9056 -2 R 4.6846 9.3331 122.5288 54.4740 35.2631 174.6791 -1 G 3.9413 8.5856 108.8392 45.3938 0.0000 174.9912 0 S 4.2691 8.1131 123.8025 58.2244 62.8992 175.2117 -4 I 4.6365 9.3636 115.4480 57.9728 42.9352 172.5191 -2 K 4.6646 9.3931 122.4288 54.6740 37.4631 174.9791 -1 D 4.6213 8.5956 120.4392 54.4938 41.6632 176.3912 0 G 3.7591 8.1331 116.9025 45.0244 0.0000 175.5117 7 I 4.7338 7.5490 120.9740 59.7952 39.6320 174.9219 8 Y 5.0307 9.5357 123.4529 56.2277 42.1763 174.3442 9 S 5.0639 8.8424 116.6687 57.2261 64.6408 173.0336 10 I 5.2405 9.0847 126.3931 59.7291 41.6025 174.3072 11 I 5.0635 8.9495 125.5751 59.6033 41.1285 174.4886 12 F 5.5614 8.3167 120.0859 55.5858 41.8555 173.0402 13 I 5.2679 8.8095 119.9415 59.5421 41.6444 174.8622 14 S 5.7024 9.1277 123.8461 55.9512 65.1398 174.8354 15 N 3.9365 7.9821 116.8335 55.6126 36.8671 175.9335 16 E 3.9808 7.7966 115.9950 56.6563 29.7033 175.9393 17 D 4.5273 8.1074 117.8369 55.4002 40.1539 173.2466 18 S 4.8326 7.7884 111.9537 56.4835 65.0174 173.1898 19 C 5.3460 8.3478 120.5966 58.4062 31.2601 172.9373 20 G 3.9183 7.9823 106.4918 45.3228 0.0000 171.5988 21 E 4.8754 8.1388 118.3108 55.0506 33.8821 176.0608 22 G 4.3730 8.8763 107.2017 46.2640 0.0000 172.0120 23 I 5.3574 8.4728 119.6848 59.5659 41.7168 174.6627 24 L 5.2167 9.2118 126.0219 53.6340 45.9494 174.8387 25 I 5.3061 9.2670 126.8518 59.4906 39.9941 174.1739 26 K 4.3624 8.9922 128.3333 55.2103 33.3741 173.3592 27 N 4.7682 9.3431 125.2917 52.8625 42.7861 176.3981 28 G 3.6432 8.4754 109.3095 46.1954 0.0000 175.0832 29 N 4.7572 8.8296 118.3740 51.2118 39.0936 173.1144 *31 I 4.8195 7.5881 120.4407 61.1781 39.4498 174.7209 32 T 5.0171 8.3968 116.8564 60.3167 72.4621 173.6846 33 G 3.9753 8.0863 109.1030 47.5089 0.0000 171.9704 34 G 3.7580 7.1401 107.2955 46.3850 0.0000 171.8560 35 D 5.2828 8.4450 118.8614 51.7317 42.0677 175.9882 36 I 4.0621 8.5839 111.0059 63.1076 37.7431 175.9354 37 A 3.9007 8.0630 119.9080 51.4982 21.1358 175.8597 38 S 5.1524 9.2799 110.3130 57.0827 67.8948 173.7140 39 V 4.2048 8.9536 114.3148 59.8083 35.4415 174.4766 40 Y 5.4454 8.0103 119.4739 56.8464 42.5079 174.5544 41 Q 5.1263 8.6787 119.6563 55.0348 33.8767 173.9006 42 G 4.3104 8.3086 108.7077 46.5621 0.0000 172.5565 43 V 4.7234 8.2609 119.3054 60.4062 34.0429 174.2148 44 L 3.6188 9.6431 131.6759 57.3897 41.7977 178.0498 *45 S 3.8881 9.1089 122.4519 57.1891 61.4450 168.1350 46 E 3.5473 9.6844 135.0000 59.4506 28.4300 173.8386 *47 D 4.9433 10.3527 124.5263 52.8804 38.0363 171.3535 48 E 4.7452 7.2646 114.8571 55.7717 33.5693 174.3955 49 D 4.4049 8.4783 120.9133 53.9967 41.1634 176.4922 50 I 3.8201 8.4089 125.8983 61.7934 38.2069 174.9515 51 I 4.7353 8.3362 128.4191 59.3632 39.7112 174.4912 52 L 4.6508 8.6806 129.0324 53.5165 44.5425 174.8243 53 H 4.8071 9.4104 125.2653 55.2556 30.2251 174.5238 54 V 4.6751 8.7233 124.4979 61.4123 33.5367 173.9397 55 H 5.3545 9.1582 127.2997 53.0964 32.6368 172.3206 56 R 4.5641 8.9190 126.5843 55.8013 30.3135 175.3198 57 Y 4.8909 9.1318 122.5625 56.3315 39.9239 175.0679 58 N 4.7545 7.2999 117.9662 52.2518 39.9890 173.5461 59 Y 4.3176 8.6885 121.8680 58.7635 38.3711 176.6896 60 E 4.2326 8.4521 119.3274 57.4049 29.9492 176.5597 61 I 4.4549 7.1153 120.4504 58.4165 39.2365 174.0113 62 P 4.4042 0.0000 0.0000 62.3886 32.1286 175.8140 63 S 4.4971 8.3165 115.3375 57.2214 63.2165 175.6648 64 V 3.6847 8.5536 126.4006 64.1861 31.1422 176.7093 65 L 4.3418 7.7974 117.9282 53.5594 42.0355 175.7116 66 N 4.2070 7.8719 115.2022 54.3325 36.8042 175.9063 67 I 3.8457 7.8809 119.0935 62.9358 37.7911 176.9554 68 E 3.9368 8.4115 116.9429 56.9347 25.8580 173.6367 69 Q 4.7221 7.5733 114.8619 55.9849 30.2794 172.1101 70 D 4.9080 8.0327 118.1390 54.6312 42.2168 175.6761 71 Y 4.9932 8.3125 119.6971 55.8903 42.5679 173.3228 72 Q 5.0655 8.8917 116.6280 54.1699 32.3838 174.8099 73 L 5.1030 8.7516 123.2080 52.9610 44.5331 175.6101 74 V 4.3861 8.4973 123.7685 61.8789 32.8048 174.6167 75 I 4.4386 8.5544 130.1536 59.4123 37.9365 174.3773 76 P 4.3389 0.0000 0.0000 63.0232 31.3674 176.5482 77 K 4.1828 8.7540 123.4004 58.5322 32.8828 177.0686 78 K 4.9029 7.9654 117.5673 54.4197 35.4391 175.7448 79 V 4.5233 8.6582 122.1537 60.9716 35.5539 174.4430 80 L 4.7878 8.2168 124.4194 53.7756 42.5884 176.2901 81 S 5.0982 8.5328 117.4019 57.3992 66.5481 172.0673 82 N 5.1562 8.7899 117.6586 51.3641 41.5564 174.5827 83 D 4.4342 8.9048 118.3840 57.2711 41.1138 177.1681 84 N 5.1682 8.1490 113.0397 52.7509 40.8762 173.7532 85 N 5.7160 7.9582 115.9021 51.9848 43.6585 173.0975 86 L 5.1297 8.4554 119.4237 55.4427 44.1341 173.6830 87 T 5.8449 8.8968 110.0003 59.4896 72.7217 172.4529 88 L 4.5112 8.2620 120.6826 55.2399 43.8845 172.9602 89 H 5.3067 8.8162 120.2162 54.7934 31.6343 172.8535 90 C 5.2007 9.1299 123.9973 58.1297 31.3328 172.8178 91 H 5.4927 8.1538 117.0349 53.2898 32.1670 172.9942 92 V 4.1477 8.9632 120.5610 62.7247 32.5195 175.5737 93 R 4.0666 8.5403 128.5069 58.1101 30.2554 176.6347 94 G 3.9628 10.4324 112.3707 45.6789 0.0000 173.7716 95 N 4.7769 8.0863 116.5459 52.3117 40.5972 174.3714 96 E 3.8208 8.7584 125.5572 59.3793 29.9257 179.4088 97 K 4.2864 7.9962 118.2831 55.9227 32.1725 180.4545 98 L 4.7907 8.3416 118.8826 54.0784 43.2615 175.6120 99 F 5.3233 8.3460 118.3958 55.8177 42.1051 173.5186 100 V 5.0657 9.1611 111.7101 59.8597 36.1875 174.3764 101 D 5.4115 9.2342 124.0103 52.6937 43.2647 175.4984 102 V 5.0621 9.1031 123.6298 61.2044 34.8881 173.3600 103 Y 5.4232 9.2552 128.1242 55.7768 41.5804 173.9830 104 A 4.9569 8.7200 127.9869 49.7866 22.7058 174.5882 105 K 4.9076 8.6389 122.2704 54.0784 35.2358 175.2020 106 F 3.6056 9.4353 131.2127 58.9228 39.3001 174.0825 107 I 4.1476 7.3296 127.3214 62.0244 38.2618 175.5574 108 E 4.4133 6.0098 116.5043 54.6644 32.1092 173.0917 109 P 5.1038 0.0000 0.0000 62.1516 32.3948 176.4904 110 L 4.1751 8.3556 121.1255 54.3224 42.3801 177.7169 111 V 3.7570 8.2394 119.7015 63.3759 31.4140 175.8670 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 -6 G 8.35 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 -5 L 8.11 4.69 0.00 1.63 1.63 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 -4 V 9.39 4.59 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 0.69 0.00 0.00 0.99 0.00 0.00 -3 P 0.00 4.80 0.00 1.93 2.00 0.00 3.68 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 2.03 2.13 0.00 -2 R 9.33 4.68 0.00 1.66 1.75 0.00 3.13 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 -1 G 8.59 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 0 S 8.11 4.27 0.00 3.84 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 -4 I 9.36 4.64 1.88 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 1.24 0.60 0.97 0.00 0.00 -2 K 9.39 4.66 0.00 1.64 1.74 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.59 7.81 -1 D 8.60 4.62 0.00 2.42 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 G 8.13 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 0.00 0.00 0.00 7 I 7.55 4.73 1.67 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 1.18 0.60 0.88 0.00 0.00 8 Y 9.54 5.03 0.00 2.83 2.80 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 9 S 8.84 5.06 0.00 3.91 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 10 I 9.08 5.24 2.02 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 1.41 0.56 1.29 0.00 0.00 11 I 8.95 5.06 2.03 0.00 0.00 1.00 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 0.97 0.90 0.00 0.00 12 F 8.32 5.56 0.00 3.10 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 13 I 8.81 5.27 1.91 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 1.33 1.87 1.01 0.00 0.00 14 S 9.13 5.70 0.00 3.78 3.98 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 0.00 0.00 0.00 15 N 7.98 3.94 0.00 2.34 1.42 0.00 0.00 6.03 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 16 E 7.80 3.98 0.00 1.87 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 2.25 2.29 0.00 17 D 8.11 4.53 0.00 2.76 2.76 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 18 S 7.79 4.83 0.00 4.11 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 19 C 8.35 5.35 0.00 2.75 2.69 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 20 G 7.98 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.14 4.88 0.00 1.74 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 2.07 2.11 0.00 22 G 8.88 4.37 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 0.00 23 I 8.47 5.36 1.91 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 1.12 0.79 0.93 0.00 0.00 24 L 9.21 5.22 0.00 1.76 1.53 0.82 1.11 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 25 I 9.27 5.31 1.99 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 0.52 0.95 0.00 0.00 26 K 8.99 4.36 0.00 1.79 1.90 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.44 7.81 27 N 9.34 4.77 0.00 2.72 2.64 0.00 0.00 7.06 7.98 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 28 G 8.48 3.64 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 0.00 0.00 0.00 29 N 8.83 4.76 0.00 2.64 2.96 0.00 0.00 6.79 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 *31 I 7.59 4.82 2.00 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 1.40 0.64 0.94 0.00 0.00 32 T 8.40 5.02 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 1.20 0.00 0.00 33 G 8.09 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.14 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 0.00 0.00 0.00 35 D 8.44 5.28 0.00 2.97 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 36 I 8.58 4.06 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 1.36 0.50 0.95 0.00 0.00 37 A 8.06 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.28 5.15 0.00 3.84 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 39 V 8.95 4.20 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 0.59 0.00 0.00 0.95 0.00 0.00 40 Y 8.01 5.45 0.00 2.86 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 41 Q 8.68 5.13 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 42 G 8.31 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 0.00 0.00 0.00 0.00 43 V 8.26 4.72 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 0.90 0.00 0.00 0.94 0.00 0.00 44 L 9.64 3.62 0.00 1.49 1.66 0.90 0.80 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 *45 S 9.11 3.89 0.00 3.63 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 46 E 9.68 3.55 0.00 2.07 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 0.00 2.17 2.35 0.00 *47 D 10.35 4.94 0.00 2.83 2.92 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 0.00 0.00 0.00 48 E 7.26 4.75 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 2.22 2.33 0.00 49 D 8.48 4.40 0.00 2.64 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 50 I 8.41 3.82 2.07 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 1.50 0.52 0.94 0.00 0.00 51 I 8.34 4.74 1.81 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 1.45 1.48 0.74 0.00 0.00 52 L 8.68 4.65 0.00 1.69 1.40 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 H 9.41 4.81 0.00 3.14 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.72 4.68 0.73 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 0.62 0.00 0.00 0.55 0.00 0.00 55 H 9.16 5.35 0.00 3.16 3.10 0.00 5.68 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.92 4.56 0.00 1.58 1.47 0.00 2.87 0.00 0.00 3.61 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 57 Y 9.13 4.89 0.00 2.89 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 58 N 7.30 4.75 0.00 2.38 2.27 0.00 0.00 7.22 7.56 0.00 0.00 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 Y 8.69 4.32 0.00 2.94 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 60 E 8.45 4.23 0.00 2.10 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 2.38 2.41 0.00 61 I 7.12 4.45 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.87 0.00 0.00 62 P 0.00 4.40 0.00 2.03 1.98 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 63 S 8.32 4.50 0.00 3.83 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 64 V 8.55 3.68 2.34 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 0.85 0.00 0.00 1.10 0.00 0.00 65 L 7.80 4.34 0.00 1.45 1.49 0.61 1.00 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 66 N 7.87 4.21 0.00 2.78 2.84 0.00 0.00 6.94 7.02 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 67 I 7.88 3.85 1.73 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.30 0.88 0.00 0.00 68 E 8.41 3.94 0.00 2.18 2.22 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 2.27 2.56 0.00 69 Q 7.57 4.72 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.94 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 70 D 8.03 4.91 0.00 2.79 2.68 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 71 Y 8.31 4.99 0.00 2.99 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 72 Q 8.89 5.07 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 73 L 8.75 5.10 0.00 1.49 1.49 0.81 1.08 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 74 V 8.50 4.39 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 0.92 0.00 0.00 0.86 0.00 0.00 75 I 8.55 4.44 1.83 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 1.17 0.50 0.87 0.00 0.00 76 P 0.00 4.34 0.00 2.05 2.00 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 77 K 8.75 4.18 0.00 1.76 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.47 7.81 78 K 7.97 4.90 0.00 1.62 1.64 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.39 7.81 79 V 8.66 4.52 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 0.86 0.00 0.00 0.91 0.00 0.00 80 L 8.22 4.79 0.00 1.64 1.61 0.93 0.83 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 81 S 8.53 5.10 0.00 3.93 3.81 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 82 N 8.79 5.16 0.00 2.82 2.86 0.00 0.00 7.01 7.82 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 83 D 8.90 4.43 0.00 2.62 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 84 N 8.15 5.17 0.00 2.66 2.89 0.00 0.00 6.90 6.92 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 85 N 7.96 5.72 0.00 2.73 2.95 0.00 0.00 6.62 6.74 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 86 L 8.46 5.13 0.00 1.85 1.73 0.84 0.35 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 87 T 8.90 5.84 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 1.44 0.00 0.00 88 L 8.26 4.51 0.00 1.75 1.76 0.90 0.44 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 89 H 8.82 5.31 0.00 3.11 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 9.13 5.20 0.00 2.81 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 91 H 8.15 5.49 0.00 3.22 3.45 0.00 5.27 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.96 4.15 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 0.93 0.00 0.00 0.81 0.00 0.00 93 R 8.54 4.07 0.00 1.82 1.87 0.00 3.37 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 94 G 10.43 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 0.00 0.00 0.00 95 N 8.09 4.78 0.00 2.71 2.66 0.00 0.00 7.19 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 96 E 8.76 3.82 0.00 1.99 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 2.26 2.22 0.00 97 K 8.00 4.29 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.28 7.81 98 L 8.34 4.79 0.00 1.75 1.55 0.82 1.03 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 99 F 8.35 5.32 0.00 3.04 3.13 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 0.00 100 V 9.16 5.07 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 0.72 0.00 0.00 0.85 0.00 0.00 101 D 9.23 5.41 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.10 5.06 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 1.06 0.00 0.00 0.93 0.00 0.00 103 Y 9.26 5.42 0.00 3.08 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 0.00 104 A 8.72 4.96 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.64 4.91 0.00 1.64 1.61 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.46 7.81 106 F 9.44 3.61 0.00 2.83 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 0.00 107 I 7.33 4.15 1.66 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 1.18 0.74 0.76 0.00 0.00 108 E 6.01 4.41 0.00 1.85 1.78 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 1.93 2.08 0.00 109 P 0.00 5.10 0.00 2.02 2.15 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 110 L 8.36 4.18 0.00 1.66 1.61 0.96 0.90 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 0.00 111 V 8.24 3.76 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 0.74 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.