NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 A 4.2082 8.1114 123.5912 52.2405 20.4033 177.7784 -1 G 3.9487 8.4586 106.5791 47.7256 0.0000 174.6732 0 H 4.5476 8.9749 119.9859 59.0842 29.6451 175.9129 1 M 3.7994 8.1779 120.0521 58.2258 31.7414 178.4950 2 K 3.9381 8.0543 119.2752 59.4879 32.3168 178.3477 3 E 4.0174 7.8467 118.2283 59.2513 29.6415 178.7096 4 I 3.7516 7.9703 120.1507 64.4238 37.1496 178.3781 5 K 4.0165 8.1284 120.6331 59.2191 32.0766 178.7635 6 E 3.9782 8.2802 118.0987 59.5346 29.1070 179.1183 7 I 3.7457 8.1059 121.4045 64.2452 37.0913 178.5604 8 T 4.2550 8.1303 116.3668 66.9238 68.1867 177.0798 9 K 3.9390 8.0480 118.6595 59.0279 32.0694 179.1219 10 K 4.0910 7.9284 119.4716 58.7848 32.1157 177.7648 11 D 4.8524 7.6673 116.2968 54.9454 42.6761 176.6235 12 V 4.1492 8.3353 122.2393 60.1862 32.0024 175.2596 13 Q 4.0755 8.5194 124.7304 58.5259 28.6111 177.6482 14 D 4.5476 7.8082 114.8171 53.0225 40.0016 176.1388 15 A 4.3369 7.5277 122.0907 52.3299 19.1496 177.0161 16 E 4.5676 8.9104 119.6556 54.4675 33.0176 175.1626 17 I 4.7832 7.6956 122.7084 59.6512 40.6411 174.0526 18 Y 5.2423 8.7237 123.4349 56.1666 41.8803 174.3234 19 L 5.3743 9.4312 123.3290 53.6096 44.4934 175.1778 20 Y 4.8480 8.7011 121.5665 57.6844 41.8937 173.2434 21 G 3.8138 9.4861 105.7244 45.0650 0.0000 173.8207 22 S 4.3488 8.6502 111.9795 60.7984 63.1727 176.8407 23 V 3.7403 7.3721 119.2925 65.1052 31.4428 177.3364 24 V 3.7857 7.7969 117.6980 65.6067 30.9060 176.4120 25 E 4.2031 8.3540 118.0107 56.1809 29.8816 177.7673 26 G 3.6707 8.0039 106.6642 45.7550 0.0000 173.0363 27 D 4.6016 7.1373 120.6670 52.9170 40.9141 175.9829 28 Y 4.6820 8.4078 123.2436 57.9848 38.6896 177.1341 29 S 4.8649 8.1376 113.9533 58.3079 63.1548 174.1004 30 I 4.4555 8.1964 120.8968 60.6692 37.6538 176.0990 31 G 3.8346 8.3362 106.5012 46.4854 0.0000 174.7990 32 L 4.1760 7.0942 115.7247 53.7344 42.3814 177.3926 33 S 4.1817 8.4643 115.2097 58.7678 63.0762 174.6170 34 D 4.4818 8.6914 125.7168 56.4896 41.5538 176.3768 35 I 4.7593 7.3064 119.3760 59.5141 40.6353 174.1697 36 D 4.7455 8.7936 128.3693 53.4488 42.4323 176.0736 37 V 4.5607 8.6275 122.4539 61.1277 34.3203 173.8487 38 A 5.1141 9.2554 131.4317 50.8363 20.7932 175.5956 39 I 4.7383 9.0617 124.3205 59.6167 39.9068 174.9058 40 V 5.0073 8.5622 128.0453 61.2281 34.1575 174.2793 41 S 4.8296 9.1622 120.5043 56.3569 66.0478 175.3145 42 D 4.5874 8.7837 124.9167 56.0047 40.7858 178.7356 43 V 3.5293 7.7412 119.9884 65.6842 31.1279 176.8745 44 F 4.8927 7.4164 114.7280 58.1397 38.8342 176.8381 45 E 4.3429 8.1256 119.5885 57.4826 29.4693 176.1567 46 D 4.6767 7.7740 119.3628 52.6362 41.4975 176.6395 47 R 4.0004 8.7164 127.8272 59.7215 29.9588 177.9397 48 N 4.4147 8.8332 116.7749 56.2108 38.5202 177.3471 49 R 4.0565 8.2232 119.7708 59.1786 30.3054 178.2642 50 K 3.9507 8.2863 119.5990 59.3607 32.1230 178.5871 51 L 3.9474 8.1494 120.5164 58.1841 42.1271 177.9988 52 E 3.9410 8.2598 119.3158 59.7994 29.3934 178.8716 53 F 4.0854 8.5952 120.1099 61.1469 39.4857 176.8065 54 F 4.0617 8.9141 120.9140 61.3305 39.2323 177.3301 55 G 3.5074 8.4726 105.5167 47.4597 0.0000 175.5487 56 K 3.7082 7.7080 121.9153 59.3159 32.3069 178.8416 57 I 3.3296 7.1770 119.3343 63.9458 37.5320 177.9285 58 T 3.8117 7.1888 109.9941 64.2714 68.6337 176.2857 59 K 3.9347 7.4619 121.7060 59.2575 32.2763 178.4010 60 K 3.8097 7.5241 118.3763 58.1383 32.1678 177.1821 61 F 5.0967 7.3684 116.8820 56.7439 39.7746 175.5119 62 F 4.2596 8.4342 122.0373 59.4011 40.2778 173.7888 63 D 3.9211 7.6815 124.3129 55.6241 39.0213 171.6377 64 S 4.8157 7.4516 111.5716 55.5755 66.8304 172.2356 65 P 4.3108 0.0000 0.0000 64.0988 32.0910 176.1736 66 F 4.3878 7.3025 120.2414 57.2674 39.6871 174.4483 67 E 4.4870 8.7641 124.1954 54.4282 31.8316 174.4744 68 F 5.1926 8.8259 125.7122 56.6084 41.1118 175.1755 69 H 4.9315 9.4605 119.5908 54.2952 32.1169 172.6338 70 I 4.7388 8.5834 125.1249 59.8233 38.0410 175.2788 71 L 5.3056 8.8455 127.2213 52.8397 46.1663 177.0844 72 T 4.9482 9.0048 112.4050 60.9756 70.0513 175.9200 73 K 4.1102 9.2551 121.3994 59.4982 31.8907 179.5895 74 K 3.9239 8.1095 119.3690 59.6248 32.0805 178.4636 75 E 4.0223 8.1174 118.4122 59.2100 29.4154 179.1887 76 W 4.3237 8.5050 128.4658 60.2066 30.5061 177.7202 77 K 3.4681 8.0230 118.8911 59.7269 31.8926 177.9980 78 M 4.0640 8.0230 118.1505 58.7748 32.1619 178.1778 79 S 4.1769 8.1321 115.5489 61.7028 63.0815 176.8988 80 K 3.2944 7.2557 120.6754 58.9821 31.3396 179.2964 81 R 3.6487 7.1816 117.0628 57.9362 29.7817 177.2778 82 F 4.7624 7.5667 114.8617 56.7378 39.7383 174.6802 83 I 4.4478 7.1082 122.1396 59.2637 39.0347 175.7472 84 R 4.0199 8.7806 126.1506 58.8631 30.1940 176.6908 85 K 4.5143 7.5782 115.7986 55.2603 35.0065 173.5126 86 Y 5.3699 7.7819 122.4337 55.5560 42.0489 173.9883 87 R 4.7260 9.2752 119.4728 54.3367 33.3690 174.1221 88 R 4.4401 9.0021 127.3551 55.9646 30.8733 175.3474 89 L 3.9162 8.8629 132.2451 55.9376 42.5247 177.2308 *90 D 4.4405 8.5698 124.5854 53.4673 40.5025 172.0185 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 A 8.11 4.21 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 -1 G 8.46 3.95 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 0.00 0.00 0.00 0 H 8.97 4.55 0.00 3.53 3.49 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 1 M 8.18 3.80 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 2 K 8.05 3.94 0.00 1.85 2.05 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 3 E 7.85 4.02 0.00 2.47 2.45 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 2.40 2.40 0.00 4 I 7.97 3.75 1.80 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.90 0.00 0.00 5 K 8.13 4.02 0.00 1.82 1.95 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 6 E 8.28 3.98 0.00 2.32 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 2.32 2.58 0.00 7 I 8.11 3.75 1.96 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 1.89 1.33 0.87 0.00 0.00 8 T 8.13 4.26 4.48 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 1.17 0.00 0.00 9 K 8.05 3.94 0.00 1.82 1.87 0.00 1.81 0.00 0.00 1.59 0.00 0.00 3.12 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.64 1.57 7.81 10 K 7.93 4.09 0.00 1.91 2.05 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 11 D 7.67 4.85 0.00 2.96 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 12 V 8.34 4.15 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 0.58 0.00 0.00 0.51 0.00 0.00 13 Q 8.52 4.08 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 14 D 7.81 4.55 0.00 2.73 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 15 A 7.53 4.34 1.20 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 16 E 8.91 4.57 0.00 1.78 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 2.15 2.39 0.00 17 I 7.70 4.78 1.73 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 1.32 0.56 0.91 0.00 0.00 18 Y 8.72 5.24 0.00 2.29 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 19 L 9.43 5.37 0.00 1.68 1.65 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.70 4.85 0.00 3.34 3.30 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 21 G 9.49 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 0.00 0.00 0.00 22 S 8.65 4.35 0.00 3.53 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 23 V 7.37 3.74 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 1.11 0.00 0.00 1.09 0.00 0.00 24 V 7.80 3.79 2.19 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 1.03 0.00 0.00 1.02 0.00 0.00 25 E 8.35 4.20 0.00 2.14 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 2.51 2.47 0.00 26 G 8.00 3.67 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 0.00 0.00 0.00 27 D 7.14 4.60 0.00 2.83 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 28 Y 8.41 4.68 0.00 3.04 2.91 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 0.00 0.00 0.00 29 S 8.14 4.86 0.00 3.86 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 30 I 8.20 4.46 2.37 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 1.24 1.01 0.92 0.00 0.00 31 G 8.34 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 0.00 0.00 0.00 32 L 7.09 4.18 0.00 1.60 1.61 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.46 4.18 0.00 3.81 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 34 D 8.69 4.48 0.00 2.64 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 35 I 7.31 4.76 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 1.02 0.00 0.00 36 D 8.79 4.75 0.00 1.58 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 37 V 8.63 4.56 1.81 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 1.08 0.00 0.00 0.66 0.00 0.00 38 A 9.26 5.11 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 39 I 9.06 4.74 2.02 0.00 0.00 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 1.24 0.91 0.97 0.00 0.00 40 V 8.56 5.01 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 1.15 0.00 0.00 0.60 0.00 0.00 41 S 9.16 4.83 0.00 3.69 2.94 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 42 D 8.78 4.59 0.00 2.70 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 43 V 7.74 3.53 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 0.78 0.00 0.00 0.73 0.00 0.00 44 F 7.42 4.89 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 4.34 0.00 2.06 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 2.39 2.42 0.00 46 D 7.77 4.68 0.00 2.74 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 47 R 8.72 4.00 0.00 1.95 1.95 0.00 3.24 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 48 N 8.83 4.41 0.00 3.00 2.89 0.00 0.00 6.56 7.75 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 49 R 8.22 4.06 0.00 2.00 2.25 0.00 3.34 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 50 K 8.29 3.95 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.29 1.28 7.81 51 L 8.15 3.95 0.00 1.91 1.85 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.26 3.94 0.00 2.31 2.27 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 2.39 2.60 0.00 53 F 8.60 4.09 0.00 3.50 3.22 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 0.00 54 F 8.91 4.06 0.00 3.13 3.18 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 55 G 8.47 3.51 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 0.00 56 K 7.71 3.71 0.00 1.85 1.56 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.23 1.32 7.81 57 I 7.18 3.33 0.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.64 -0.01 0.00 0.00 58 T 7.19 3.81 4.07 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 0.10 0.00 0.00 59 K 7.46 3.93 0.00 1.68 1.98 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.30 7.81 60 K 7.52 3.81 0.00 1.51 1.41 0.00 1.28 0.00 0.00 1.40 0.00 0.00 2.93 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.89 0.21 7.81 61 F 7.37 5.10 0.00 3.50 3.39 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 62 F 8.43 4.26 0.00 3.01 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 63 D 7.68 3.92 0.00 2.14 2.53 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 64 S 7.45 4.82 0.00 4.11 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 65 P 0.00 4.31 0.00 1.73 2.09 0.00 3.27 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.65 0.00 66 F 7.30 4.39 0.00 2.46 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 0.00 0.00 0.00 0.00 67 E 8.76 4.49 0.00 1.92 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 0.00 2.05 2.24 0.00 68 F 8.83 5.19 0.00 3.09 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 69 H 9.46 4.93 0.00 3.29 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.58 4.74 1.67 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.04 -0.36 0.00 0.00 71 L 8.85 5.31 0.00 1.71 1.68 1.27 0.66 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 72 T 9.00 4.95 4.48 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 1.37 0.00 0.00 73 K 9.26 4.11 0.00 1.99 1.99 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.52 7.81 74 K 8.11 3.92 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 75 E 8.12 4.02 0.00 2.40 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 2.39 2.38 0.00 76 W 8.51 4.32 0.00 3.34 3.17 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 77 K 8.02 3.47 0.00 1.81 1.98 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81 78 M 8.02 4.06 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 79 S 8.13 4.18 0.00 3.89 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 80 K 7.26 3.29 0.00 1.30 1.37 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.21 7.81 81 R 7.18 3.65 0.00 0.97 1.15 0.00 2.96 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.62 0.00 82 F 7.57 4.76 0.00 2.97 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 83 I 7.11 4.45 1.55 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.48 0.87 0.00 0.00 84 R 8.78 4.02 0.00 1.81 2.05 0.00 3.28 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 85 K 7.58 4.51 0.00 1.70 1.64 0.00 1.95 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.35 7.81 86 Y 7.78 5.37 0.00 3.46 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 87 R 9.28 4.73 0.00 1.99 1.90 0.00 3.21 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 88 R 9.00 4.44 0.00 2.15 1.91 0.00 3.18 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.00 89 L 8.86 3.92 0.00 1.60 1.61 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 *90 D 8.57 4.44 0.00 2.60 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 * Residues marked with a * may have inaccurate shift predictions.