NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2327 0.0000 0.0000 61.7204 32.5404 173.9581 3 K 3.6431 8.5380 120.3049 55.7146 31.2650 173.9829 4 M 4.0601 9.2696 126.5858 55.7737 33.4237 176.1515 5 K 4.5210 8.2656 121.6647 54.7171 33.9969 176.7016 6 T 4.0285 8.2686 111.7644 62.4158 69.2657 174.0478 7 H 4.6562 8.2878 122.6944 54.3664 28.5179 176.1202 8 K 4.3927 8.2789 122.4601 56.0790 32.7215 178.7031 9 G 3.5616 9.4907 108.6216 46.7694 0.0000 175.4019 10 A 4.2304 8.9997 129.4163 53.6266 19.1570 179.1839 11 K 3.3584 8.2587 117.4418 59.1001 32.1059 177.6281 12 K 4.3611 8.2775 117.3981 56.7826 32.6871 177.2088 13 R 4.5049 7.8678 113.5099 55.5256 31.3514 175.9666 14 V 4.4386 8.6474 119.6209 59.6396 33.3168 175.1984 15 K 4.6199 9.2720 125.9629 54.5658 34.6827 174.2357 16 I 4.9349 8.3776 127.1371 59.5322 39.8957 174.8928 17 T 4.5229 8.4119 119.3068 59.9825 71.0926 175.5710 18 A 4.0741 8.8461 124.7733 55.8798 18.1727 179.2996 19 S 4.3067 8.1408 106.8918 58.7218 62.4789 174.4772 20 G 3.8313 8.6982 109.0354 46.2830 0.0000 173.9794 21 K 4.1471 8.1556 120.5472 55.0996 33.1700 176.5925 22 V 4.2436 8.2595 126.2839 62.6878 32.2642 175.3629 23 V 5.3139 9.6997 127.2866 61.9713 35.6573 173.1333 24 A 4.6731 8.2683 126.5260 51.2694 23.0233 175.0881 25 M 4.2793 8.4101 116.5032 55.2095 32.9460 175.9386 26 K 4.7176 8.2708 117.6785 55.2882 35.6040 175.7382 27 T 4.2542 8.7405 111.8864 60.5831 70.0626 172.9344 28 G 3.7615 8.8722 120.4967 45.9079 0.0000 175.2854 29 K 4.3166 7.6685 116.7141 57.4277 32.1269 177.6670 30 R 4.2947 8.1457 119.0197 56.9398 30.3353 177.3768 31 H 5.6956 8.2003 125.4067 56.2196 27.9420 175.5343 32 L 3.9382 7.9092 120.7703 58.0368 41.4884 177.1635 33 N 4.4037 8.0325 114.7963 53.2150 39.0824 173.9808 34 W 4.9088 8.0360 126.9543 55.9867 28.2809 173.7474 35 Q 4.9715 6.9199 129.2806 55.6209 30.3133 172.2794 36 K 4.2159 7.5656 122.8708 54.9267 36.3271 175.4876 37 S 4.1926 8.4285 117.4450 58.1073 63.2944 174.8344 38 G 3.6356 8.4081 109.0417 48.4213 0.0000 175.8178 39 K 3.9232 8.0290 120.9605 58.7209 31.9505 177.6784 40 E 3.9944 6.7944 116.8315 58.4848 29.8718 178.0374 41 I 3.7025 7.4150 121.7451 64.6417 38.2725 177.3345 42 R 3.8085 7.5597 118.0674 60.2146 30.5429 177.1645 43 Q 4.3714 7.8598 116.9436 56.6083 27.2670 178.9864 44 K 4.5697 7.5509 117.1230 54.0402 32.8015 176.0901 45 G 4.2182 7.3950 108.6848 43.2278 0.0000 169.9705 46 R 4.7484 8.1318 120.0190 54.0826 31.6999 175.5298 47 K 4.7689 8.4006 119.8728 54.9007 36.5680 175.5247 48 F 5.1157 8.7587 119.6135 58.0610 40.0278 174.2947 49 V 4.3909 7.4864 118.7368 62.2673 34.5118 172.8085 50 L 4.1198 8.3719 120.1166 55.5300 44.5437 172.6968 51 A 3.9438 8.2480 129.1362 53.8544 17.4576 180.0205 52 K 3.9991 7.8089 114.9436 59.0987 32.5915 177.2831 53 P 5.0304 0.0000 0.0000 64.8573 30.9969 177.6003 54 E 3.9104 7.5868 117.6330 58.6487 29.5724 178.0387 55 A 4.2696 8.1414 120.9064 54.8767 19.2027 178.8481 56 E 3.7549 7.9489 116.1678 59.9964 29.4960 179.6980 57 R 3.8605 7.9831 116.9831 59.7093 30.3733 178.9662 58 I 4.0460 7.8611 114.5711 62.6503 37.0353 176.4377 59 K 4.7648 8.4952 118.7659 56.0083 33.9421 176.8233 60 L 5.1862 8.6773 119.7231 53.6708 42.3542 177.9079 61 L 3.9737 7.9861 119.1499 57.2607 40.9107 179.6339 62 L 3.9142 7.8929 121.2144 56.4376 42.4437 177.3740 63 P 4.2071 0.0000 0.0000 63.6224 31.4182 176.2443 64 Y 3.4081 9.3987 124.1374 57.1222 39.4839 169.8818 *65 E 4.1630 8.5058 115.7556 56.0873 30.5285 173.6211 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 P 0.00 4.23 0.00 2.20 2.17 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 K 8.54 3.64 0.00 1.81 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 4 M 9.27 4.06 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 5 K 8.27 4.52 0.00 1.74 1.73 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 6 T 8.27 4.03 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 1.24 0.00 0.00 7 H 8.29 4.66 0.00 3.21 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.28 4.39 0.00 1.77 1.82 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.44 7.81 9 G 9.49 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 10 A 9.00 4.23 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 11 K 8.26 3.36 0.00 2.03 1.79 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 12 K 8.28 4.36 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.70 7.81 13 R 7.87 4.50 0.00 1.90 2.03 0.00 3.01 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 14 V 8.65 4.44 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 0.71 0.00 0.00 0.94 0.00 0.00 15 K 9.27 4.62 0.00 1.85 1.89 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 16 I 8.38 4.93 1.86 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 1.37 1.01 0.95 0.00 0.00 17 T 8.41 4.52 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 1.26 0.00 0.00 18 A 8.85 4.07 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 19 S 8.14 4.31 0.00 3.89 3.89 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 0.00 0.00 0.00 20 G 8.70 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 21 K 8.16 4.15 0.00 1.77 1.66 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.36 7.81 22 V 8.26 4.24 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 0.73 0.00 0.00 0.89 0.00 0.00 23 V 9.70 5.31 2.16 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 0.81 0.00 0.00 1.18 0.00 0.00 24 A 8.27 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.41 4.28 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 26 K 8.27 4.72 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.32 7.81 27 T 8.74 4.25 4.25 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 1.22 0.00 0.00 28 G 8.87 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 29 K 7.67 4.32 0.00 1.88 1.93 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 30 R 8.15 4.29 0.00 1.89 2.14 0.00 3.49 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 31 H 8.20 5.70 0.00 3.39 3.47 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.91 3.94 0.00 1.75 1.88 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.03 4.40 0.00 2.67 2.81 0.00 0.00 6.85 7.95 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 34 W 8.04 4.91 0.00 3.42 3.33 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 35 Q 6.92 4.97 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 36 K 7.57 4.22 0.00 1.75 1.53 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.18 1.16 7.81 37 S 8.43 4.19 0.00 3.95 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 38 G 8.41 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 39 K 8.03 3.92 0.00 1.78 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.56 7.81 40 E 6.79 3.99 0.00 1.93 1.82 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 2.33 2.22 0.00 41 I 7.42 3.70 1.84 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 1.17 0.73 0.99 0.00 0.00 42 R 7.56 3.81 0.00 1.82 2.03 0.00 3.30 0.00 0.00 3.21 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 43 Q 7.86 4.37 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 44 K 7.55 4.57 0.00 1.79 1.71 0.00 1.57 0.00 0.00 1.99 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.45 7.81 45 G 7.40 4.22 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 0.00 0.00 0.00 46 R 8.13 4.75 0.00 1.72 1.89 0.00 3.22 0.00 0.00 3.96 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 47 K 8.40 4.77 0.00 1.85 1.86 0.00 1.44 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.84 7.81 48 F 8.76 5.12 0.00 2.85 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 49 V 7.49 4.39 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 0.74 0.00 0.00 1.03 0.00 0.00 50 L 8.37 4.12 0.00 1.49 1.43 0.86 0.94 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 51 A 8.25 3.94 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 52 K 7.81 4.00 0.00 1.98 1.80 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.54 7.81 53 P 0.00 5.03 0.00 2.26 2.27 0.00 3.91 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 2.02 1.79 0.00 54 E 7.59 3.91 0.00 2.08 2.16 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 2.29 2.30 0.00 55 A 8.14 4.27 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 56 E 7.95 3.75 0.00 2.18 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 2.40 2.50 0.00 57 R 7.98 3.86 0.00 1.85 1.95 0.00 3.06 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 58 I 7.86 4.05 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 1.43 0.67 0.91 0.00 0.00 59 K 8.50 4.76 0.00 1.87 1.74 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.36 7.81 60 L 8.68 5.19 0.00 1.53 1.61 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.99 3.97 0.00 1.93 1.79 0.96 0.32 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 62 L 7.89 3.91 0.00 1.70 1.77 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.21 0.00 2.22 2.22 0.00 3.99 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.99 0.00 64 Y 9.40 3.41 0.00 2.98 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 *65 E 8.51 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.