NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 P 4.2534 0.0000 0.0000 62.4891 33.3856 176.0651 14 Q 3.5983 8.0345 119.7739 55.4204 28.8350 170.0383 15 V 4.0072 8.9501 127.6447 62.2010 33.6738 174.4556 16 I 4.0657 8.4437 129.2856 59.6566 38.8316 174.8306 17 S 5.0296 8.5715 122.9206 56.6641 64.4887 173.2445 18 A 4.6426 8.3344 124.7604 50.7959 23.3271 174.6475 19 T 5.1159 7.9700 107.6804 60.5146 73.0116 173.4641 20 G 4.2679 8.1976 108.0714 46.4826 0.0000 171.6059 21 V 4.9694 8.0736 119.6248 60.6650 34.2787 175.4534 22 V 4.0651 8.8444 128.8428 63.2677 31.7808 176.2862 23 K 4.6189 9.1364 127.0608 57.1255 34.2155 176.7737 24 G 4.1657 7.5488 104.0275 45.2458 0.0000 172.4613 25 I 4.7698 8.4291 123.3212 59.3706 40.3032 174.9583 26 D 4.6789 9.2968 127.2776 52.2384 42.2288 175.8672 27 L 4.3135 8.4119 125.6660 56.9464 42.4624 179.3975 28 E 3.8837 8.4358 119.0934 59.2095 29.4820 177.7052 29 S 4.3615 8.2749 109.7739 57.8955 63.8445 173.7001 30 K 3.8746 7.8886 120.1461 57.9899 29.8317 175.0065 31 K 5.0395 8.6216 117.3264 54.6517 36.0458 176.0679 32 I 4.8202 8.8877 125.9480 59.8413 39.8275 174.7899 33 T 4.7338 8.8332 125.2450 62.8288 69.9048 174.0277 34 I 4.8742 9.0564 127.6622 59.6846 41.0151 174.4207 35 H 5.1711 9.2821 127.9543 55.6637 30.1786 173.5518 36 H 5.4977 9.4457 122.6159 54.3660 30.8406 174.8088 37 D 5.0374 9.2320 120.7012 53.2768 41.7675 174.4740 38 P 4.6822 0.0000 0.0000 63.5837 32.4012 176.5406 39 I 4.3377 8.9537 124.1172 59.4603 38.6161 176.3002 40 A 3.9358 8.7086 131.3136 54.9496 18.6247 179.2517 41 A 3.9297 8.0000 117.4591 54.7828 18.3361 178.4530 42 V 4.0696 7.2138 105.0022 60.2000 32.7169 174.7543 43 N 4.2133 7.7717 116.9876 54.5476 37.6326 173.7245 44 W 5.2505 8.1727 116.9621 54.6154 31.6721 175.9973 45 P 5.1229 0.0000 0.0000 61.5977 32.9893 175.2045 46 E 4.6007 8.6857 117.5789 56.9776 29.8360 176.2887 47 M 4.7878 8.2031 121.1627 54.0156 37.3427 173.5726 48 T 5.0054 8.1680 116.5771 62.5428 70.2464 174.3334 49 M 4.7145 8.9576 124.6254 53.7034 37.0741 174.1159 50 R 4.7912 8.1717 119.9310 55.2249 31.8340 175.7761 51 F 4.8204 9.3493 122.6370 55.9529 42.0126 174.6379 52 T 4.9157 9.0604 120.7923 62.5835 69.9554 174.1722 53 I 4.4364 8.5547 128.5734 61.1768 38.0370 175.9154 54 T 4.6178 8.9594 117.0252 58.9285 71.1051 173.7419 55 P 4.3030 0.0000 0.0000 65.3742 31.3170 177.6661 56 Q 4.3321 7.5949 114.8623 56.2928 29.1506 176.1178 57 T 4.0348 7.5165 116.0962 64.0894 69.3704 174.7958 58 K 4.3070 9.3177 126.8145 56.1667 31.9870 175.4348 59 M 4.6657 8.3864 124.2091 54.5143 33.3244 175.7301 60 S 4.8237 8.0870 118.3287 56.1746 66.6997 173.7517 61 E 4.0842 8.7210 120.6457 56.5632 28.9468 176.7309 62 I 4.8633 8.0744 116.8573 58.7948 41.0219 174.5349 63 K 4.6613 9.4385 119.5736 54.9922 35.6777 175.8353 64 T 4.0336 8.3709 116.3805 65.7083 68.6005 174.8967 65 G 4.0004 9.1887 115.1173 45.0668 0.0000 173.4895 66 D 4.5086 7.9233 120.7169 54.1145 42.2399 175.5472 67 K 4.6400 8.6827 124.5649 56.3211 33.5038 175.9118 68 V 5.0861 9.3336 120.2375 59.4810 36.0273 174.2345 69 A 5.3756 9.0236 124.6984 50.3026 21.6417 175.5287 70 F 5.3837 8.7779 115.9083 55.6104 41.7718 172.9625 71 N 5.6064 9.3189 116.9442 51.5837 42.0900 173.6885 72 F 5.2988 9.2006 117.0839 55.6373 42.3620 173.4865 73 V 4.6740 8.9196 111.9073 59.5772 35.3656 175.0985 74 Q 4.9639 8.6967 123.0745 55.4278 29.7375 175.7354 75 Q 4.4386 9.0028 123.5430 55.1875 33.4987 174.4967 76 G 3.7931 8.5261 112.2700 47.4545 0.0000 173.5853 77 N 4.9112 8.8360 121.2513 52.8161 39.0130 174.3223 78 L 4.7463 7.8333 117.8865 53.0105 45.1222 175.9841 79 S 5.2890 8.2993 117.0279 57.1339 64.6680 173.1433 80 L 4.9637 9.1455 127.0617 53.5514 42.7141 176.7272 81 L 4.6750 9.0624 125.9066 55.4096 41.7870 177.2894 82 Q 4.4986 9.8934 123.9653 58.2049 30.3335 175.4930 83 D 5.1887 7.9201 115.6237 52.7349 42.7560 174.3134 84 I 5.1681 8.4811 119.4806 60.0485 41.9260 173.4484 85 K 4.6604 8.9359 126.9199 55.3883 36.2636 175.4453 86 V 4.0057 8.4385 121.6680 63.7069 32.0948 175.5098 87 S 4.2420 9.1000 125.0480 60.9617 62.9830 174.5308 *88 Q 4.1530 7.8840 121.1192 55.1710 28.5562 176.5838 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 13 P 0.00 4.25 0.00 2.17 2.24 0.00 3.72 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 1.86 1.95 0.00 14 Q 8.03 3.60 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 15 V 8.95 4.01 1.99 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 0.74 0.00 0.00 0.93 0.00 0.00 16 I 8.44 4.07 0.56 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.01 0.34 0.00 0.00 17 S 8.57 5.03 0.00 3.60 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 18 A 8.33 4.64 0.54 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 19 T 7.97 5.12 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 1.19 0.00 0.00 20 G 8.20 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 0.00 0.00 0.00 0.00 21 V 8.07 4.97 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 1.10 0.00 0.00 0.94 0.00 0.00 22 V 8.84 4.07 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 0.85 0.00 0.00 0.87 0.00 0.00 23 K 9.14 4.62 0.00 1.61 1.82 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.60 7.81 24 G 7.55 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 0.00 0.00 0.00 25 I 8.43 4.77 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 1.21 0.71 0.90 0.00 0.00 26 D 9.30 4.68 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.31 0.00 1.75 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.44 3.88 0.00 1.92 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 0.00 2.29 2.31 0.00 29 S 8.27 4.36 0.00 4.02 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 30 K 7.89 3.87 0.00 2.05 2.09 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.53 7.81 31 K 8.62 5.04 0.00 1.56 1.64 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.50 7.81 32 I 8.89 4.82 1.84 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 1.23 1.19 0.88 0.00 0.00 33 T 8.83 4.73 4.32 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 1.20 0.00 0.00 34 I 9.06 4.87 1.87 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.89 0.87 0.00 0.00 35 H 9.28 5.17 0.00 3.24 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 9.45 5.50 0.00 3.67 3.81 0.00 5.51 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 37 D 9.23 5.04 0.00 2.62 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 38 P 0.00 4.68 0.00 2.00 2.17 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 39 I 8.95 4.34 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.37 0.79 0.00 0.00 40 A 8.71 3.94 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 41 A 8.00 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.21 4.07 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 0.42 0.00 0.00 -0.24 0.00 0.00 43 N 7.77 4.21 0.00 2.88 2.96 0.00 0.00 7.02 7.98 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 44 W 8.17 5.25 0.00 3.44 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 45 P 0.00 5.12 0.00 2.12 2.15 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 46 E 8.69 4.60 0.00 2.23 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 0.00 2.33 2.24 0.00 47 M 8.20 4.79 0.00 1.71 1.70 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.35 0.00 48 T 8.17 5.01 4.14 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 0.00 0.00 0.00 1.17 0.00 0.00 49 M 8.96 4.71 0.00 1.32 1.42 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.26 0.00 50 R 8.17 4.79 0.00 1.54 1.77 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 51 F 9.35 4.82 0.00 2.81 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 52 T 9.06 4.92 4.38 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 1.24 0.00 0.00 53 I 8.55 4.44 1.89 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 1.30 0.49 0.93 0.00 0.00 54 T 8.96 4.62 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 55 P 0.00 4.30 0.00 2.07 2.17 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 56 Q 7.59 4.33 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 57 T 7.52 4.03 4.34 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 1.29 0.00 0.00 58 K 9.32 4.31 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 59 M 8.39 4.67 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 60 S 8.09 4.82 0.00 3.74 3.77 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 61 E 8.72 4.08 0.00 1.96 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 2.32 2.24 0.00 62 I 8.07 4.86 1.86 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 1.60 0.65 0.91 0.00 0.00 63 K 9.44 4.66 0.00 1.84 1.88 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.39 7.81 64 T 8.37 4.03 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 65 G 9.19 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 0.00 0.00 0.00 66 D 7.92 4.51 0.00 2.78 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 67 K 8.68 4.64 0.00 1.90 1.70 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.56 7.81 68 V 9.33 5.09 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 0.74 0.00 0.00 0.96 0.00 0.00 69 A 9.02 5.38 1.22 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 70 F 8.78 5.38 0.00 3.24 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 71 N 9.32 5.61 0.00 2.88 2.68 0.00 0.00 6.83 7.65 0.00 0.00 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 F 9.20 5.30 0.00 3.46 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 73 V 8.92 4.67 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 0.78 0.00 0.00 1.06 0.00 0.00 74 Q 8.70 4.96 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 75 Q 9.00 4.44 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.80 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 76 G 8.53 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 77 N 8.84 4.91 0.00 2.72 2.83 0.00 0.00 6.53 7.85 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 78 L 7.83 4.75 0.00 1.86 1.54 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.30 5.29 0.00 3.42 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 80 L 9.15 4.96 0.00 1.71 1.70 0.98 0.44 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 81 L 9.06 4.68 0.00 1.70 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.89 4.50 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 83 D 7.92 5.19 0.00 2.79 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 84 I 8.48 5.17 1.89 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 1.27 1.18 0.91 0.00 0.00 85 K 8.94 4.66 0.00 1.86 1.86 0.00 1.39 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.41 7.81 86 V 8.44 4.01 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 0.84 0.00 0.00 0.96 0.00 0.00 87 S 9.10 4.24 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 Q 7.88 4.15 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.42 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.