NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.7543 8.3644 121.4686 53.8455 41.6217 174.2357 3 Q 4.4662 8.3157 123.6117 52.6848 32.9964 172.7485 4 K 4.5870 8.8130 124.5516 56.1497 33.6664 177.5689 5 L 4.0885 8.9873 125.2211 58.0558 41.5626 179.6998 6 S 4.0959 8.3658 114.7346 61.7871 62.8348 176.4319 7 D 4.4117 8.1251 122.4497 56.5995 40.3623 178.3344 8 F 4.3392 8.1507 120.6027 61.7034 39.7903 176.6687 9 H 4.1551 8.4528 115.6117 58.8587 28.5696 177.7400 10 A 4.2252 8.4248 125.0040 55.1920 17.9330 179.9199 11 E 3.9544 7.8723 117.0080 60.9602 29.8357 182.2690 12 S 4.8267 7.8471 111.1270 58.2135 65.0984 175.4622 13 G 3.5565 7.9004 109.6301 46.1159 0.0000 174.7551 14 G 4.2559 8.0698 105.3305 46.7848 0.0000 174.0945 15 C 4.1057 8.7257 118.6960 62.7025 28.2919 175.8192 16 E 4.5651 8.1499 115.8606 57.6797 29.6511 178.6482 17 S 4.2141 8.0079 114.6532 60.6436 63.1089 174.7821 18 C 4.6139 8.1586 117.6164 59.9483 29.9938 173.0594 19 H 5.1921 8.0963 116.9260 53.1396 30.8009 173.2914 20 K 3.5913 8.0451 125.1535 57.5471 31.9930 176.0411 21 D 4.2388 9.7269 125.2539 55.3078 38.3928 174.8258 22 G 3.9535 8.4063 105.4767 45.8227 0.0000 174.0514 23 T 4.4832 7.5286 116.7649 60.3852 70.2889 172.7165 24 P 4.5212 0.0000 0.0000 62.6024 31.9091 176.4148 25 S 4.3987 8.7243 115.7483 57.7523 63.8936 174.2974 26 A 4.1669 8.5028 124.0088 54.1133 18.3727 178.1026 27 D 4.7189 8.0811 112.5242 52.4720 40.9302 177.3694 28 G 4.0206 8.6283 108.5388 45.6025 0.0000 175.4638 29 A 4.1264 8.7676 123.1001 55.0783 18.3831 179.7216 30 F 4.0068 8.3720 118.7219 61.5841 39.2979 176.9882 31 E 4.3003 8.3873 118.9306 58.8803 29.4726 178.8528 32 F 4.4294 8.4448 120.4099 61.4616 39.4819 176.8676 33 A 3.6783 8.0593 120.2597 55.2491 17.9308 179.7119 34 Q 3.8211 7.6434 117.7087 58.6091 28.7859 178.4715 35 C 4.1146 8.1170 117.7646 63.2233 28.1335 176.4097 36 Q 4.5839 8.0735 120.4641 58.1362 28.2873 178.6611 37 S 4.0087 7.9103 115.5596 61.6160 62.6478 176.1022 38 C 4.3394 7.6409 118.3536 60.6914 28.3715 174.6005 39 H 4.8783 8.2772 115.2484 54.2567 30.8481 173.5798 40 G 3.8054 8.3070 106.6833 44.5790 0.0000 172.3384 41 K 4.7426 8.6405 117.2840 54.2836 34.1230 178.1291 42 L 4.0536 8.5890 121.4491 58.0593 41.7034 179.8970 43 S 4.2592 8.1362 111.6199 60.4332 62.9238 174.4907 44 E 4.4012 8.1145 119.0371 56.4990 29.9553 175.3333 45 M 4.5171 7.4758 119.2920 53.4527 34.5322 175.0612 46 D 4.7040 8.2291 119.3823 53.2009 41.9407 176.2180 47 A 4.1684 8.3965 119.9445 54.3467 18.3547 179.2743 48 V 3.7731 7.8431 116.1932 65.7381 32.1007 177.3112 49 H 4.4495 8.4262 115.6924 58.5117 28.9187 177.3835 50 K 4.0858 8.4188 121.8161 59.2520 31.7909 176.8281 51 P 4.3068 0.0000 0.0000 65.0565 31.5539 176.4787 52 H 4.5966 8.2242 114.5164 55.3730 29.1637 174.3147 53 D 4.5530 7.9174 120.8242 56.1093 41.0267 176.4726 54 G 4.0833 9.3164 115.5602 45.2926 0.0000 173.0037 55 N 4.9190 8.1170 114.8447 53.0309 41.0230 174.5554 56 L 4.8686 7.5862 115.3696 52.8697 45.8100 176.0617 57 V 3.4411 8.1293 114.1477 59.4721 33.5684 177.1969 58 C 4.0592 8.8275 118.5885 63.2936 28.1203 176.4895 59 A 4.6744 7.8518 120.2584 53.8900 18.1616 178.8427 60 D 4.3628 7.9609 115.3016 56.4103 41.2597 176.8740 61 C 4.4060 7.4471 112.3436 61.2956 29.8745 174.2683 62 H 4.4699 8.1813 120.9470 54.5370 27.2978 173.9952 63 A 4.4996 8.1006 128.3332 50.9094 17.3180 178.2471 64 V 3.7662 8.1086 115.8351 64.8132 32.0731 178.3073 65 H 4.5360 8.1199 114.1573 56.2595 29.0199 175.3351 66 D 4.8509 7.9839 117.8151 54.3339 42.8620 176.2469 67 M 4.6040 7.6907 118.0825 53.5083 34.2068 175.1882 68 N 5.0323 8.2611 118.6627 52.0888 39.9060 174.9949 69 V 3.4656 8.0011 120.8557 64.8907 31.6831 176.7934 70 G 3.8579 8.8067 115.2753 45.1660 0.0000 172.8208 71 Q 4.1652 7.8035 121.5464 55.2001 29.4342 175.0719 72 K 4.4274 8.3845 125.1219 54.3824 33.4189 174.9767 73 P 4.3153 0.0000 0.0000 62.8638 31.7959 175.8927 74 T 4.6223 8.1331 111.8830 60.1573 71.1070 175.2928 75 C 4.0584 8.4166 120.2368 62.0165 27.6211 175.3474 76 E 4.8430 7.9832 115.9423 57.1195 29.5504 178.7073 77 S 4.4369 7.4950 115.9350 61.4093 63.0536 175.0727 78 C 4.6506 7.5983 114.4114 59.7022 31.1405 173.8725 79 H 4.9112 8.3362 116.5207 54.4001 29.9980 174.7793 80 D 4.8022 8.7088 122.1157 54.2942 39.5999 176.4603 81 D 4.7381 7.9683 117.9803 52.7039 39.6770 177.1984 82 G 3.9068 8.3083 106.1502 46.3885 0.0000 174.4741 83 R 4.1558 7.3548 114.9927 56.1246 30.3282 176.4463 84 T 4.7086 7.8955 108.1969 59.1620 73.2029 174.6696 85 S 4.0596 8.6779 116.0669 61.5606 62.1739 176.1654 86 A 3.9711 7.9878 121.9535 55.3585 18.1385 179.1594 87 S 4.1507 7.8913 110.1370 61.6645 62.6352 176.2978 88 V 3.7516 7.5284 118.9802 65.0166 31.3344 175.6734 89 L 4.2617 7.9729 122.7243 54.7566 41.6491 176.1485 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 D 8.36 4.75 0.00 2.48 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 3 Q 8.32 4.47 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 4 K 8.81 4.59 0.00 1.76 1.74 0.00 1.76 0.00 0.00 1.92 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.42 7.81 5 L 8.99 4.09 0.00 1.77 1.88 1.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.37 4.10 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 7 D 8.13 4.41 0.00 2.93 2.82 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 0.00 0.00 0.00 8 F 8.15 4.34 0.00 3.02 3.32 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 9 H 8.45 4.16 0.00 3.47 3.32 0.00 5.86 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 10 A 8.42 4.23 1.41 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 0.00 0.00 0.00 11 E 7.87 3.95 0.00 2.10 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 2.27 2.21 0.00 12 S 7.85 4.83 0.00 3.89 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 13 G 7.90 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.07 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 0.00 0.00 0.00 0.00 15 C 8.73 4.11 0.00 3.04 3.10 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 0.00 0.00 0.00 0.00 16 E 8.15 4.57 0.00 2.15 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 2.40 2.26 0.00 17 S 8.01 4.21 0.00 4.02 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 0.00 18 C 8.16 4.61 0.00 2.87 2.87 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 19 H 8.10 5.19 0.00 3.31 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.05 3.59 0.00 0.79 1.09 0.00 1.70 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.06 7.81 21 D 9.73 4.24 0.00 2.76 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 22 G 8.41 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 23 T 7.53 4.48 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 1.16 0.00 0.00 24 P 0.00 4.52 0.00 2.13 1.89 0.00 3.67 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 25 S 8.72 4.40 0.00 4.06 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 26 A 8.50 4.17 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 27 D 8.08 4.72 0.00 2.79 2.79 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 28 G 8.63 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 29 A 8.77 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.01 0.00 3.20 3.11 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 0.00 0.00 0.00 0.00 31 E 8.39 4.30 0.00 2.39 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 0.00 2.53 2.65 0.00 32 F 8.44 4.43 0.00 3.11 3.25 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 0.00 33 A 8.06 3.68 1.15 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 0.00 0.00 34 Q 7.64 3.82 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.11 2.45 0.00 35 C 8.12 4.11 0.00 3.01 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 36 Q 8.07 4.58 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.29 1.92 0.00 37 S 7.91 4.01 0.00 3.96 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 38 C 7.64 4.34 0.00 2.75 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 39 H 8.28 4.88 0.00 3.26 3.27 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.31 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 41 K 8.64 4.74 0.00 1.81 1.70 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.33 7.81 42 L 8.59 4.05 0.00 1.80 1.82 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.14 4.26 0.00 3.99 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 44 E 8.11 4.40 0.00 2.07 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 2.26 2.25 0.00 45 M 7.48 4.52 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.41 0.00 46 D 8.23 4.70 0.00 2.98 2.87 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 47 A 8.40 4.17 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 48 V 7.84 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 49 H 8.43 4.45 0.00 3.36 3.39 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.42 4.09 0.00 2.07 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 51 P 0.00 4.31 0.00 1.87 2.03 0.00 3.71 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 2.00 2.08 0.00 52 H 8.22 4.60 0.00 3.45 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.92 4.55 0.00 2.74 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 54 G 9.32 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 55 N 8.12 4.92 0.00 2.71 2.83 0.00 0.00 6.71 7.47 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 56 L 7.59 4.87 0.00 1.54 1.43 0.82 0.84 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 57 V 8.13 3.44 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 -0.19 0.00 0.00 0.83 0.00 0.00 58 C 8.83 4.06 0.00 3.12 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 59 A 7.85 4.67 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 60 D 7.96 4.36 0.00 2.74 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 61 C 7.45 4.41 0.00 2.87 2.77 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 0.00 0.00 0.00 62 H 8.18 4.47 0.00 3.21 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.10 4.50 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 64 V 8.11 3.77 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 0.82 0.00 0.00 0.90 0.00 0.00 65 H 8.12 4.54 0.00 3.18 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.98 4.85 0.00 2.68 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 67 M 7.69 4.60 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 68 N 8.26 5.03 0.00 2.72 2.68 0.00 0.00 6.60 7.68 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 69 V 8.00 3.47 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 0.12 0.00 0.00 0.45 0.00 0.00 70 G 8.81 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 0.00 0.00 0.00 71 Q 7.80 4.17 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 72 K 8.38 4.43 0.00 1.77 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.44 7.81 73 P 0.00 4.32 0.00 1.93 2.03 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 74 T 8.13 4.62 4.50 0.00 0.00 0.00 0.00 0.00 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 75 C 8.42 4.06 0.00 3.13 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 76 E 7.98 4.84 0.00 2.11 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 0.00 2.35 2.23 0.00 77 S 7.49 4.44 0.00 3.91 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 78 C 7.60 4.65 0.00 2.94 2.77 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 0.00 0.00 0.00 79 H 8.34 4.91 0.00 3.17 3.33 0.00 5.60 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 80 D 8.71 4.80 0.00 2.67 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 81 D 7.97 4.74 0.00 2.79 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 82 G 8.31 3.91 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 0.00 0.00 0.00 83 R 7.35 4.16 0.00 1.93 1.91 0.00 2.62 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 84 T 7.90 4.71 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 1.24 0.00 0.00 85 S 8.68 4.06 0.00 3.90 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 86 A 7.99 3.97 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 87 S 7.89 4.15 0.00 3.88 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 88 V 7.53 3.75 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 0.91 0.00 0.00 0.92 0.00 0.00 89 L 7.97 4.26 0.00 1.78 1.56 0.94 0.78 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 * Residues marked with a * may have inaccurate shift predictions.