NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3064 8.2493 123.5815 50.7060 19.7506 174.4454 3 K 4.1542 7.0013 119.1675 57.0697 35.5396 169.5273 4 E 4.7237 9.7037 121.5830 56.7984 35.7417 176.1340 5 P 4.1598 0.0000 0.0000 62.3303 32.2602 175.2768 6 C 4.1526 8.5662 120.4685 59.9365 30.7697 174.4939 7 V 3.8601 8.2025 128.3770 63.8528 31.3992 177.0835 8 E 4.2748 8.0119 117.9586 57.4022 29.1825 178.3624 9 S 4.2346 7.4929 114.2932 60.8419 63.2595 176.0296 10 L 4.1592 7.5883 123.0666 57.5331 41.5222 179.3185 11 V 3.6325 7.5353 111.2994 63.3311 31.4511 178.5028 12 S 4.0765 7.6997 114.3690 61.3895 62.8415 176.5014 13 Q 4.0067 7.7137 120.2913 58.6302 28.1898 177.7385 14 Y 4.1390 7.6417 120.3398 60.6350 38.8098 178.0392 15 F 4.4433 7.6067 118.8416 60.7084 39.0598 177.7352 16 Q 4.1025 7.9983 117.8522 59.1077 28.4562 179.0671 17 T 3.8664 7.9580 117.1133 66.6650 68.3543 177.0832 18 V 3.8039 7.1485 118.9590 64.5176 31.8793 178.2628 19 T 4.0807 7.8685 117.0940 66.7096 68.4354 176.4789 20 D 4.4594 8.2689 120.6846 56.9581 40.2681 178.0358 21 Y 4.4916 7.0865 120.7002 60.2241 38.8908 178.6540 22 G 3.2376 7.7889 105.5578 47.4673 0.0000 175.8838 23 K 4.0088 7.8381 120.3716 59.3161 31.8885 178.8484 24 D 4.3296 7.8861 118.7914 57.2264 40.2822 178.3573 25 L 4.2774 7.2125 117.4936 56.1462 42.0234 178.7245 26 M 4.0427 7.6750 118.8772 58.5476 31.7043 177.9052 27 E 4.0438 7.9390 118.3911 58.9472 29.3866 179.0979 28 K 4.1411 7.4130 116.5209 58.4831 32.2729 178.8396 29 V 3.8580 7.5249 118.3513 64.8938 31.2876 177.3136 30 K 4.3396 7.5002 114.0332 57.4251 31.8731 176.8799 31 S 4.5186 7.6634 114.5350 59.5716 64.3844 174.1012 32 P 4.4781 0.0000 0.0000 62.5765 29.5004 174.8946 33 E 4.1096 8.2548 124.9160 56.2071 31.1396 176.7295 34 L 4.3484 8.2101 132.8800 54.9203 41.0297 176.2172 35 Q 4.4830 7.7925 121.4373 54.3887 32.6386 174.6923 36 A 3.6200 8.3600 117.5785 53.6161 15.6071 178.8243 *39 K 4.3965 7.9124 120.2810 58.0738 34.3357 178.4124 40 S 4.4641 7.8010 113.5543 60.4542 62.2533 175.2717 41 Y 4.0230 7.7282 122.2162 60.6017 37.2973 177.5147 42 F 4.3966 7.4712 118.1757 60.1818 38.7563 177.4593 43 E 4.0817 8.0444 117.8079 58.9872 28.1492 178.4790 44 K 4.1429 8.1835 121.1806 58.9419 31.7386 178.8616 45 S 4.2107 7.7390 114.4044 61.3173 62.8178 176.5294 46 K 4.0767 7.4854 118.9605 58.4536 31.9635 178.3729 47 E 4.2583 8.0709 117.6661 57.5422 29.2136 177.7483 48 Q 4.5913 7.2955 115.8917 55.6594 31.2843 177.1158 49 L 4.1254 7.4320 121.2638 58.1520 42.0727 178.8858 50 T 3.9582 7.8216 115.8764 66.1244 68.6018 174.8879 51 P 4.3651 0.0000 0.0000 64.7839 31.1577 177.8798 52 L 3.9596 7.2932 119.1832 58.1598 41.9423 178.3883 53 I 4.0033 7.5255 119.7947 63.8834 37.3473 177.8332 54 K 4.2210 7.8513 116.9971 57.5031 31.9593 178.7538 55 K 3.9856 8.0625 120.8534 59.1129 32.0828 178.2234 56 A 4.2620 7.8594 120.6759 54.0921 17.9336 179.8227 57 G 3.4503 7.6385 104.2747 48.0877 0.0000 175.3626 58 T 4.1183 7.6624 112.1770 62.6485 67.5131 173.5913 59 E 3.9800 7.6430 118.3638 57.9551 31.9326 177.6298 60 L 3.9669 7.9801 117.0905 58.0497 42.3652 179.2599 61 V 3.5714 7.7533 118.0636 66.3304 31.1291 177.8125 62 N 4.3407 7.2259 114.5800 55.8178 38.4487 176.8258 63 F 5.0317 7.8075 118.6233 59.5489 39.0384 177.8164 64 L 3.9877 7.8503 119.3221 57.7543 40.8695 179.2115 65 S 4.2629 8.2305 112.4955 61.1667 62.2637 175.3502 66 Y 4.7605 8.1719 122.8622 60.8753 38.4459 177.7103 67 F 4.0072 8.4892 118.1251 59.9341 39.0617 177.0042 68 V 3.7600 7.4016 117.2251 65.9072 31.2278 176.5710 69 E 4.0239 7.7178 119.6303 54.9594 29.9648 176.6925 70 L 2.9196 8.7161 119.4531 55.3952 41.5209 171.6781 71 G 3.6221 7.4900 110.1932 44.8638 0.0000 174.5452 72 T 3.9464 7.8865 122.7787 64.2567 69.1451 175.4423 73 Q 4.4045 7.5262 129.1292 53.6288 29.6596 173.8680 74 P 4.5205 0.0000 0.0000 61.8060 29.7061 174.7721 75 A 4.7229 7.7692 127.2296 51.5726 22.3652 175.7043 76 T 4.5400 8.4253 116.8624 62.5903 72.7471 173.9612 77 Q 3.6216 8.6923 120.0919 56.8856 30.1307 173.8247 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 8.25 4.31 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 3 K 7.00 4.15 0.00 1.89 1.78 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.43 7.81 4 E 9.70 4.72 0.00 1.88 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 2.10 2.23 0.00 5 P 0.00 4.16 0.00 2.07 2.01 0.00 3.73 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 2.03 2.11 0.00 6 C 8.57 4.15 0.00 2.96 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 7 V 8.20 3.86 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 0.93 0.00 0.00 0.90 0.00 0.00 8 E 8.01 4.27 0.00 2.05 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 2.43 2.38 0.00 9 S 7.49 4.23 0.00 4.14 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 10 L 7.59 4.16 0.00 1.59 1.68 0.88 0.81 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 11 V 7.54 3.63 1.67 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 0.88 0.00 0.00 0.87 0.00 0.00 12 S 7.70 4.08 0.00 4.08 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 13 Q 7.71 4.01 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 14 Y 7.64 4.14 0.00 2.83 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 15 F 7.61 4.44 0.00 3.25 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 16 Q 8.00 4.10 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 17 T 7.96 3.87 4.29 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 1.20 0.00 0.00 18 V 7.15 3.80 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 0.76 0.00 0.00 0.85 0.00 0.00 19 T 7.87 4.08 4.42 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 1.22 0.00 0.00 20 D 8.27 4.46 0.00 2.88 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 21 Y 7.09 4.49 0.00 2.99 3.23 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 22 G 7.79 3.24 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 0.00 23 K 7.84 4.01 0.00 1.96 1.85 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.70 7.81 24 D 7.89 4.33 0.00 2.72 2.66 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 25 L 7.21 4.28 0.00 1.34 1.57 0.58 0.63 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 26 M 7.67 4.04 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 27 E 7.94 4.04 0.00 2.02 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 2.31 2.50 0.00 28 K 7.41 4.14 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.56 7.81 29 V 7.52 3.86 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 1.01 0.00 0.00 0.96 0.00 0.00 30 K 7.50 4.34 0.00 1.94 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.54 7.81 31 S 7.66 4.52 0.00 3.77 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 32 P 0.00 4.48 0.00 2.16 2.09 0.00 3.80 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 1.96 0.00 33 E 8.25 4.11 0.00 1.94 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 2.20 2.42 0.00 34 L 8.21 4.35 0.00 1.71 1.69 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.79 4.48 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 36 A 8.36 3.62 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 *39 K 7.91 4.40 0.00 1.92 2.07 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.65 1.52 7.81 40 S 7.80 4.46 0.00 3.89 3.85 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 41 Y 7.73 4.02 0.00 2.83 2.52 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 42 F 7.47 4.40 0.00 3.31 2.98 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 43 E 8.04 4.08 0.00 2.15 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 2.42 2.43 0.00 44 K 8.18 4.14 0.00 1.79 1.69 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.29 7.81 45 S 7.74 4.21 0.00 3.88 3.41 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 46 K 7.49 4.08 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.59 7.81 47 E 8.07 4.26 0.00 2.17 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 2.31 2.58 0.00 48 Q 7.30 4.59 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 49 L 7.43 4.13 0.00 1.87 1.77 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.82 3.96 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 1.20 0.00 0.00 51 P 0.00 4.37 0.00 2.25 2.29 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 52 L 7.29 3.96 0.00 1.93 1.93 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.53 4.00 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 1.52 0.63 0.90 0.00 0.00 54 K 7.85 4.22 0.00 1.82 1.82 0.00 1.54 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 55 K 8.06 3.99 0.00 2.03 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 56 A 7.86 4.26 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 57 G 7.64 3.45 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 0.00 58 T 7.66 4.12 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 1.21 0.00 0.00 59 E 7.64 3.98 0.00 2.07 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 0.00 2.32 2.34 0.00 60 L 7.98 3.97 0.00 1.82 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.75 3.57 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 1.00 0.00 0.00 0.96 0.00 0.00 62 N 7.23 4.34 0.00 2.27 2.64 0.00 0.00 7.09 7.33 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 63 F 7.81 5.03 0.00 3.37 3.29 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 64 L 7.85 3.99 0.00 1.93 1.74 0.93 1.23 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 65 S 8.23 4.26 0.00 3.97 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 66 Y 8.17 4.76 0.00 3.40 3.69 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 67 F 8.49 4.01 0.00 3.14 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 68 V 7.40 3.76 2.33 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 0.81 0.00 0.00 1.09 0.00 0.00 69 E 7.72 4.02 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 70 L 8.72 2.92 0.00 1.63 1.53 0.34 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.49 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 72 T 7.89 3.95 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 1.20 0.00 0.00 73 Q 7.53 4.40 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.42 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 74 P 0.00 4.52 0.00 2.18 2.10 0.00 3.69 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 1.96 1.93 0.00 75 A 7.77 4.72 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 76 T 8.43 4.54 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 1.21 0.00 0.00 77 Q 8.69 3.62 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.