NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3145 8.2549 119.6998 56.3682 31.4033 174.4938 3 H 5.0982 8.7703 118.7949 53.6438 31.9720 171.4565 4 I 4.5833 8.4701 122.2958 60.1583 39.4568 176.6584 5 S 4.6875 8.6623 120.1181 56.8161 65.7585 173.5671 6 P 4.2686 0.0000 0.0000 66.1503 31.0904 178.7951 7 E 4.0213 8.1640 116.6595 59.4124 29.3117 179.1725 8 E 4.0054 8.1315 118.2514 59.0913 29.5680 178.9494 9 L 4.0738 8.0951 120.4315 58.4084 42.1864 179.1700 10 I 3.7254 7.8383 119.4289 64.1290 37.0033 178.1019 11 A 4.0002 8.0213 121.6564 55.3531 18.3470 179.3906 12 L 3.9305 8.7574 119.7428 58.4786 42.1662 178.8007 13 H 4.1185 8.2759 118.0998 59.4777 29.9551 176.9645 14 D 4.4470 8.3526 120.5219 57.3940 40.6533 178.7965 15 A 3.9861 8.1955 121.2658 55.1769 18.3157 179.2129 16 N 4.4276 8.1752 115.3682 56.7151 38.8727 177.3350 17 I 3.7204 7.6796 120.8597 64.4171 37.0564 178.1296 18 S 4.1104 7.6512 114.5697 62.1934 62.7981 176.6779 19 R 3.7754 7.5421 119.0954 58.9679 29.9446 177.4017 20 Y 4.5429 8.0560 116.4205 56.9024 38.8022 176.1458 21 G 4.0198 7.5968 107.2763 44.5527 0.0000 173.0039 22 G 4.3110 8.1841 105.9650 42.0340 0.0000 172.7012 23 L 4.1583 8.1065 123.1243 53.7239 42.2190 174.7074 24 P 4.4734 0.0000 0.0000 63.0882 32.4736 173.0334 25 G 3.9380 8.4202 113.8785 45.4215 0.0000 173.4621 *27 S 4.1759 8.3269 118.2930 58.2483 64.2317 172.9265 28 D 4.7186 8.3310 124.2059 52.1140 41.4511 174.9951 29 P 4.3730 0.0000 0.0000 65.7938 31.2144 178.6505 30 G 3.7869 8.3227 103.8788 47.8540 0.0000 175.8408 31 R 3.8843 8.0340 119.8739 58.9830 30.1704 178.6322 32 A 4.0027 8.0289 120.0566 55.5377 18.2571 179.3906 33 E 3.9127 8.8037 116.8786 59.4907 29.5061 179.4645 34 A 3.9593 8.2690 121.1672 55.1664 18.5283 179.8589 35 I 3.6150 8.1179 118.6846 64.6475 37.1894 178.8106 36 I 3.7421 7.8958 120.8496 63.9805 36.8351 178.5953 37 G 3.6184 8.2733 106.9973 47.8040 0.0000 175.5730 38 R 3.7952 7.8084 121.2826 59.0385 30.1239 178.6950 39 V 3.3184 7.3393 117.4650 66.1847 31.4678 178.0905 40 Q 3.8864 8.1092 117.5441 58.7067 28.4228 178.5246 41 A 4.0481 8.1390 122.1141 54.8478 18.4314 179.7372 42 R 3.8207 8.1760 117.5747 59.3941 30.2986 178.6769 43 V 3.5781 7.8248 117.8830 66.2846 31.2937 177.9819 44 A 4.0484 7.8498 118.7888 55.0626 18.2451 178.7207 45 Y 4.0589 8.1443 117.5897 60.3640 39.1081 176.7439 46 E 4.3238 8.2483 115.9143 54.9933 31.0122 175.5893 47 E 3.8277 8.0889 117.4926 57.3844 26.9508 175.1905 48 I 4.0244 7.7467 118.5156 61.4480 38.1223 176.8947 49 T 4.3738 8.3619 114.4371 62.2918 70.7160 174.8992 50 D 4.4797 7.9970 122.4105 53.9914 42.1078 176.5751 51 L 4.1854 8.5697 127.4775 57.9025 41.6194 179.3946 52 F 4.3807 8.2926 117.3814 60.1517 39.0060 177.6177 53 E 4.0176 9.0031 118.7909 59.5499 29.4846 179.4205 54 V 3.5467 7.7476 117.9457 65.9994 31.4916 178.0498 55 S 4.0986 8.4845 112.7754 61.3613 62.2488 175.7801 56 A 4.0935 8.3074 123.5880 55.6467 17.9330 179.8552 57 T 3.7668 8.0026 114.0395 66.9986 68.6750 176.3839 58 Y 3.9444 7.7457 118.2511 61.0091 37.8799 178.7998 59 L 4.1417 8.1231 120.9385 58.2116 42.2944 179.2552 60 V 3.5152 8.0599 118.0796 66.0195 31.3401 177.7584 61 A 3.9755 7.9715 119.3809 55.5509 18.4625 179.4940 62 T 3.9894 7.9252 113.6441 66.7198 68.3556 177.0390 63 A 4.1005 7.9157 121.5611 54.2127 18.3572 178.9010 64 R 4.5279 7.6904 114.3129 56.0953 30.7146 177.2511 65 G 3.7383 7.9488 109.1284 45.6028 0.0000 173.9376 66 H 4.1373 8.1230 115.8953 56.7424 26.3028 175.0892 67 I 3.8079 7.5709 121.6197 64.3534 37.5987 176.5561 68 S 4.7910 7.9087 111.8112 57.0697 65.8533 173.9310 69 N 4.4956 8.7410 117.2848 55.4768 37.6293 175.0964 70 D 4.7986 7.3854 115.9203 53.0888 44.4442 174.8027 71 A 3.9650 8.6677 123.9259 53.5022 16.4514 179.6864 72 N 4.4706 7.6298 120.0966 57.8189 38.5680 177.4873 73 K 4.0402 7.9487 119.6916 59.3308 32.1557 179.4996 74 R 3.9341 7.8581 117.9973 59.4872 30.1595 178.8564 75 T 3.8696 7.7977 115.0547 66.4772 68.3648 176.4650 76 A 3.9909 7.9512 122.4694 55.0436 18.5208 179.3544 77 L 3.8724 7.7443 118.0352 58.4743 42.2789 178.8811 78 N 4.3351 8.3154 116.6883 56.2114 38.4430 177.5059 79 S 3.9982 8.2502 115.3176 61.4781 62.9561 176.1109 80 A 3.9902 7.9223 125.1316 54.9278 18.0818 179.6212 81 L 3.9322 8.0528 117.0139 57.3824 41.7469 179.2468 82 L 3.8590 8.3508 120.9092 57.9113 41.7155 178.7533 83 F 3.8640 8.1547 120.0086 61.1977 39.6145 176.5396 84 L 3.7317 7.5118 118.4331 57.9633 41.5833 179.5632 85 R 4.0205 7.7504 119.5287 58.9811 29.7037 178.7347 86 R 3.9268 7.6504 116.7256 58.2148 29.9369 177.6069 87 N 4.7045 7.3683 114.8668 52.2749 39.5029 174.7603 88 G 3.6608 7.8433 106.7332 47.0465 0.0000 174.7741 89 V 4.2456 7.3126 118.8895 60.1284 33.4583 174.1868 90 Q 4.2351 8.7514 128.9937 56.2276 29.4904 175.3589 91 V 3.9504 7.7447 117.2344 59.5845 35.3580 174.1279 92 F 4.7717 7.0776 114.1193 56.0337 39.8887 173.1361 93 D 4.5655 8.8937 121.5095 54.1272 41.9074 175.2719 94 S 4.9464 8.3763 119.5970 55.5961 65.3272 172.8956 95 P 4.3265 0.0000 0.0000 65.3403 31.4546 177.1659 96 E 4.3213 8.0753 114.1487 56.7854 30.3812 178.2196 97 L 4.0187 7.9752 120.9211 57.7302 41.4787 179.1270 98 A 3.9347 7.8676 120.3629 55.3642 18.4340 179.1049 99 D 4.2836 8.0961 116.9372 57.3656 40.8195 178.6917 100 L 3.9290 7.8440 120.5216 58.5066 42.1544 179.1860 101 T 3.8371 8.0553 115.6329 66.7563 68.4607 176.8886 102 V 3.7020 8.5262 120.5932 65.8753 31.5304 178.1065 103 G 3.6832 8.4651 105.6673 47.8551 0.0000 175.5234 104 A 4.1626 8.3046 122.9315 54.8555 18.2020 179.5801 105 A 3.9559 7.8980 118.5643 55.2956 18.6037 179.3247 106 T 4.1694 7.8649 105.7553 62.3921 69.4283 175.9604 107 G 3.9945 7.6579 110.4929 45.3224 0.0000 174.4638 108 E 4.0434 7.6701 117.8215 58.4280 29.6493 177.3398 109 I 4.3618 7.5140 119.7968 59.3993 38.8001 176.4684 110 S 4.5182 8.3297 120.6170 57.2607 65.5732 175.4378 111 V 3.5838 8.1705 120.9639 66.2847 31.2698 178.0557 112 S 4.4172 8.0313 113.4956 61.3665 62.9905 176.2117 113 S 4.0334 7.9568 116.3700 61.1949 62.1804 176.2568 114 V 3.5878 8.2291 121.1608 65.8740 31.1735 177.6078 115 A 4.2330 8.6007 120.8248 55.4299 18.2212 179.2915 116 D 4.2347 8.0586 117.0905 57.8327 40.9564 179.1060 117 T 3.7200 7.6799 115.5736 66.7676 68.5345 176.3879 118 L 4.0123 7.8613 120.7149 58.0448 41.7008 179.8880 119 R 2.5100 7.9618 118.3425 59.0144 29.8118 178.2977 120 R 3.8028 7.8849 117.3547 59.5022 29.9562 178.2206 121 L 3.8388 7.8389 117.9485 57.3044 41.7318 178.1793 122 Y 4.9390 7.1415 112.7922 57.6119 38.5155 176.2221 123 G 3.6970 8.3180 115.6062 45.8041 0.0000 173.8911 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 2 R 8.25 4.31 0.00 1.68 1.88 0.00 3.08 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 3 H 8.77 5.10 0.00 3.33 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.47 4.58 2.04 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 1.31 0.36 0.96 0.00 0.00 5 S 8.66 4.69 0.00 4.16 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 6 P 0.00 4.27 0.00 2.19 2.25 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 7 E 8.16 4.02 0.00 2.07 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 2.41 2.47 0.00 8 E 8.13 4.01 0.00 2.22 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 2.34 2.33 0.00 9 L 8.10 4.07 0.00 1.95 1.86 1.01 1.05 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 10 I 7.84 3.73 1.88 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 1.45 0.53 0.92 0.00 0.00 11 A 8.02 4.00 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 12 L 8.76 3.93 0.00 1.81 1.97 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.28 4.12 0.00 3.36 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.35 4.45 0.00 2.89 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 15 A 8.20 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 16 N 8.18 4.43 0.00 2.99 2.98 0.00 0.00 7.25 7.43 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 17 I 7.68 3.72 2.04 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 1.61 0.83 0.93 0.00 0.00 18 S 7.65 4.11 0.00 3.97 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 19 R 7.54 3.78 0.00 1.55 1.50 0.00 2.97 0.00 0.00 2.80 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 20 Y 8.06 4.54 0.00 3.13 2.93 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 21 G 7.60 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 G 8.18 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 23 L 8.11 4.16 0.00 1.64 1.62 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.47 0.00 2.23 2.04 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 25 G 8.42 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 *27 S 8.33 4.18 0.00 3.86 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 28 D 8.33 4.72 0.00 2.67 2.54 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 29 P 0.00 4.37 0.00 2.19 2.10 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 30 G 8.32 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.03 3.88 0.00 2.04 1.99 0.00 3.32 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 32 A 8.03 4.00 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 33 E 8.80 3.91 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 2.33 2.33 0.00 34 A 8.27 3.96 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.12 3.62 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 1.63 1.16 0.88 0.00 0.00 36 I 7.90 3.74 1.86 0.00 0.00 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 1.68 0.99 0.95 0.00 0.00 37 G 8.27 3.62 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 0.00 0.00 0.00 38 R 7.81 3.80 0.00 1.84 2.03 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 39 V 7.34 3.32 1.71 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 0.25 0.00 0.00 0.33 0.00 0.00 40 Q 8.11 3.89 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 41 A 8.14 4.05 1.34 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 42 R 8.18 3.82 0.00 1.91 1.99 0.00 3.08 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 43 V 7.82 3.58 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 1.00 0.00 0.00 0.97 0.00 0.00 44 A 7.85 4.05 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 45 Y 8.14 4.06 0.00 3.04 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 46 E 8.25 4.32 0.00 2.15 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 2.45 2.57 0.00 47 E 8.09 3.83 0.00 2.07 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 0.00 2.19 2.23 0.00 48 I 7.75 4.02 1.90 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 1.39 0.50 0.98 0.00 0.00 49 T 8.36 4.37 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 50 D 8.00 4.48 0.00 2.90 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 51 L 8.57 4.19 0.00 1.22 1.44 0.70 1.04 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 52 F 8.29 4.38 0.00 3.36 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.02 0.00 2.19 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 2.41 2.52 0.00 54 V 7.75 3.55 2.28 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 0.56 0.00 0.00 1.05 0.00 0.00 55 S 8.48 4.10 0.00 4.26 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.09 1.52 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 0.00 0.00 57 T 8.00 3.77 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 1.07 0.00 0.00 58 Y 7.75 3.94 0.00 3.11 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 59 L 8.12 4.14 0.00 1.83 1.92 0.99 0.73 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 60 V 8.06 3.52 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 0.95 0.00 0.00 1.00 0.00 0.00 61 A 7.97 3.98 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 62 T 7.93 3.99 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 1.25 0.00 0.00 63 A 7.92 4.10 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 64 R 7.69 4.53 0.00 1.78 1.94 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 65 G 7.95 3.74 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 0.00 0.00 0.00 66 H 8.12 4.14 0.00 3.28 3.34 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.57 3.81 1.87 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 1.47 0.57 0.76 0.00 0.00 68 S 7.91 4.79 0.00 3.98 3.74 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 69 N 8.74 4.50 0.00 2.74 2.95 0.00 0.00 6.54 8.06 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 70 D 7.39 4.80 0.00 2.47 2.48 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 0.00 0.00 0.00 0.00 71 A 8.67 3.96 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 72 N 7.63 4.47 0.00 2.92 2.87 0.00 0.00 7.07 6.80 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 73 K 7.95 4.04 0.00 1.78 1.84 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 74 R 7.86 3.93 0.00 1.82 1.93 0.00 3.40 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 75 T 7.80 3.87 4.41 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 1.28 0.00 0.00 76 A 7.95 3.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 3.87 0.00 1.80 1.66 0.94 0.49 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 78 N 8.32 4.34 0.00 2.92 2.86 0.00 0.00 6.86 7.14 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 79 S 8.25 4.00 0.00 4.06 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 80 A 7.92 3.99 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 81 L 8.05 3.93 0.00 1.69 1.58 0.95 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.35 3.86 0.00 1.74 1.79 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.15 3.86 0.00 2.34 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 84 L 7.51 3.73 0.00 1.67 1.53 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.75 4.02 0.00 1.88 1.82 0.00 3.10 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 86 R 7.65 3.93 0.00 1.76 1.80 0.00 3.13 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 87 N 7.37 4.70 0.00 2.17 2.51 0.00 0.00 7.02 7.10 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 88 G 7.84 3.66 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 0.00 0.00 0.00 89 V 7.31 4.25 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 1.10 0.00 0.00 0.78 0.00 0.00 90 Q 8.75 4.24 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 91 V 7.74 3.95 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 0.36 0.00 0.00 0.75 0.00 0.00 92 F 7.08 4.77 0.00 3.15 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 93 D 8.89 4.57 0.00 2.76 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 94 S 8.38 4.95 0.00 3.87 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 95 P 0.00 4.33 0.00 2.09 2.12 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 96 E 8.08 4.32 0.00 2.13 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 0.00 2.31 2.29 0.00 97 L 7.98 4.02 0.00 1.76 1.77 1.05 0.78 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 98 A 7.87 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.28 0.00 2.77 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 0.00 100 L 7.84 3.93 0.00 1.78 1.86 0.92 0.86 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 0.00 101 T 8.06 3.84 4.36 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 1.26 0.00 0.00 102 V 8.53 3.70 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 1.01 0.00 0.00 0.96 0.00 0.00 103 G 8.47 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 0.00 104 A 8.30 4.16 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 A 7.90 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 0.00 106 T 7.86 4.17 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 1.25 0.00 0.00 107 G 7.66 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 0.00 108 E 7.67 4.04 0.00 2.02 2.03 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 2.34 2.43 0.00 109 I 7.51 4.36 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 0.56 0.91 0.00 0.00 110 S 8.33 4.52 0.00 4.05 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 0.00 111 V 8.17 3.58 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 0.93 0.00 0.00 112 S 8.03 4.42 0.00 4.10 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 0.00 113 S 7.96 4.03 0.00 3.91 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 0.00 114 V 8.23 3.59 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 1.01 0.00 0.00 1.00 0.00 0.00 115 A 8.60 4.23 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.06 4.23 0.00 2.88 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 0.00 117 T 7.68 3.72 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 1.14 0.00 0.00 118 L 7.86 4.01 0.00 2.07 2.08 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.96 2.51 0.00 1.62 1.79 0.00 2.98 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.00 120 R 7.88 3.80 0.00 1.81 1.96 0.00 3.26 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 121 L 7.84 3.84 0.00 0.69 0.13 0.60 0.74 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 0.00 122 Y 7.14 4.94 0.00 3.20 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 0.00 123 G 8.32 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 * Residues marked with a * may have inaccurate shift predictions.