NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 V 4.1093 8.1545 117.9091 60.2298 34.2523 175.0452 59 S 4.6368 7.6138 113.5942 56.0740 66.3625 173.1155 60 H 4.7925 9.4107 116.8799 57.7647 32.0777 175.5731 61 D 4.3772 8.5541 123.4781 55.3692 38.7303 175.5508 62 D 4.2667 7.6269 119.1880 57.3282 40.8396 178.1149 63 A 4.0126 8.0162 120.6077 55.5029 18.3417 179.2825 64 L 3.8929 7.8411 117.9777 58.0644 42.0782 179.1451 65 L 3.9813 7.6732 118.6091 57.5682 41.6962 178.7105 66 N 4.2588 8.5316 117.3688 57.0012 38.8123 176.9333 67 T 3.8450 8.0185 116.9986 66.7759 68.5278 176.4062 68 L 3.9390 7.7470 120.0693 57.9483 41.6297 179.2866 69 A 3.9699 8.1876 120.6663 55.3801 18.2551 179.3484 70 I 3.6063 7.9184 117.4269 64.7688 37.3313 178.4341 71 L 3.9322 8.2736 119.6669 58.2672 41.3680 179.6857 72 Q 3.9632 8.2939 119.4299 58.9508 28.9481 178.1585 73 K 3.9756 8.1200 120.8208 59.3223 32.1635 178.6993 74 E 3.9375 8.4692 119.2968 59.3715 29.4761 178.9935 75 L 3.9424 8.0406 120.2981 58.0166 42.0531 179.2418 76 K 4.0660 7.8658 118.3235 59.6407 32.2216 178.9193 77 S 4.0777 8.1285 113.3944 61.8802 62.1516 176.6121 78 K 4.0895 8.3329 120.7038 59.2020 31.6940 179.2838 79 E 3.9952 8.0988 119.0644 59.1367 29.3034 179.1195 80 Q 3.9395 8.2601 119.9054 58.9501 29.0586 177.5452 81 E 3.8914 7.9393 120.0604 59.6834 29.6779 178.9072 82 I 3.6898 7.8958 119.5351 64.3978 37.0616 178.7450 83 R 3.9098 7.6760 118.9741 59.2577 29.9445 179.1705 84 R 3.9119 7.9192 117.7715 59.3319 30.0353 178.9707 85 L 3.9716 8.1578 118.8992 58.0059 41.7293 179.8897 86 K 3.9550 8.1367 118.1899 59.2559 31.8550 179.1378 87 E 3.8967 8.2721 119.7940 59.1483 29.5920 178.8117 88 V 3.5709 8.3433 118.6277 66.2888 31.5542 177.9904 89 I 3.7146 8.0386 119.2982 64.1699 36.7628 178.0998 90 A 3.9898 7.8097 121.3881 55.2493 18.2324 179.6775 91 L 3.9500 8.0421 117.1962 58.0148 41.7926 179.7215 92 K 3.9029 8.4100 118.7567 59.9063 32.0621 179.0444 93 N 4.4982 8.3478 116.4011 56.1725 38.3762 177.6966 94 K 4.0047 7.7515 120.1980 59.3773 32.1129 178.9578 95 N 4.3481 8.5771 117.8231 56.8894 38.8445 177.1210 96 T 3.8733 8.3814 117.6889 66.5275 68.4363 176.5207 97 E 3.9440 8.1272 120.4157 59.2727 29.4348 179.1437 98 R 3.8613 7.9297 118.6701 59.5562 30.1477 178.2587 99 L 3.9573 8.1370 118.7895 58.0427 41.6352 179.1991 100 N 4.2713 8.6423 116.2775 56.3764 38.4574 177.1847 101 A 3.9504 8.2493 121.8036 55.0832 18.4110 179.3560 102 A 3.9000 8.1297 119.2903 55.3920 18.4293 179.4558 103 L 3.8014 8.3343 118.9796 58.4873 42.0186 179.3658 104 I 3.6940 7.9724 119.7014 64.3035 37.0612 178.3745 105 S 4.1639 8.3504 114.2590 61.3835 62.1829 176.4708 106 G 3.6199 8.9266 109.3191 47.9858 0.0000 175.8727 107 T 3.8626 8.1965 118.3580 66.5182 68.5798 176.6992 108 I 3.6753 7.9685 122.0034 64.4380 37.0504 178.0468 109 E 3.9094 8.2191 119.7709 59.5343 29.4956 178.5462 110 N 4.2852 8.4188 116.7641 56.3615 38.5404 176.8897 111 N 4.4211 8.1906 118.4544 56.6684 39.0140 177.1126 112 V 3.5726 7.8010 119.6652 65.7361 31.6045 177.6360 113 L 3.9211 8.1481 120.2803 58.4609 41.9947 178.8960 114 Q 3.9993 8.2211 117.9523 59.1010 28.6104 178.8525 115 Q 3.9796 8.0425 120.4561 59.1793 29.0384 178.5306 116 K 4.0179 8.1945 119.6059 59.2473 32.0604 179.3863 117 L 3.9529 8.0674 119.3419 57.9299 41.6248 179.3520 118 S 4.1644 8.1116 112.9784 61.5197 62.2351 176.1028 119 D 4.3084 8.0237 121.4534 57.3498 40.6778 178.4197 120 L 3.9709 8.2620 121.2592 57.8417 42.0061 178.6709 121 K 3.8358 8.5652 119.9424 59.5892 32.0420 178.7296 122 K 3.9488 7.8348 117.8828 59.6036 32.0412 179.0151 123 E 3.9641 8.2081 118.6817 59.7959 29.3741 178.9998 124 H 4.2012 8.7978 118.6240 59.3748 29.8781 177.4608 125 S 4.0836 8.2829 116.0849 61.6032 62.5514 176.4910 126 Q 3.9896 8.1906 121.1073 58.4593 28.6651 178.1317 127 L 4.1832 8.1397 121.5632 58.0942 42.2068 179.0142 128 V 3.5161 7.9818 118.1106 66.0835 31.5968 177.6870 129 A 4.1844 8.3575 120.0214 54.7383 18.1833 179.5865 130 R 4.0297 8.3801 116.8649 58.6577 29.9340 178.4662 131 W 4.2189 8.5983 117.3462 58.4787 29.0331 177.7838 132 L 4.3040 7.8673 121.3479 57.6777 41.1780 177.5834 133 K 4.1983 7.8574 124.2212 54.6780 31.7312 180.2657 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 58 V 8.15 4.11 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 0.90 0.00 0.00 0.93 0.00 0.00 59 S 7.61 4.64 0.00 3.64 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 60 H 9.41 4.79 0.00 3.18 3.19 0.00 5.95 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.55 4.38 0.00 2.75 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 62 D 7.63 4.27 0.00 2.77 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 63 A 8.02 4.01 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 64 L 7.84 3.89 0.00 1.69 1.64 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.67 3.98 0.00 1.94 1.68 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.53 4.26 0.00 2.78 2.80 0.00 0.00 7.27 7.12 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 67 T 8.02 3.85 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 1.21 0.00 0.00 68 L 7.75 3.94 0.00 1.93 1.73 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.19 3.97 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 70 I 7.92 3.61 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.91 0.00 0.00 71 L 8.27 3.93 0.00 1.66 1.74 0.92 1.02 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 72 Q 8.29 3.96 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 73 K 8.12 3.98 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 74 E 8.47 3.94 0.00 2.24 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 2.33 2.50 0.00 75 L 8.04 3.94 0.00 1.76 1.83 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.87 4.07 0.00 1.93 1.83 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 77 S 8.13 4.08 0.00 3.95 4.09 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 0.00 0.00 0.00 78 K 8.33 4.09 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.72 7.81 79 E 8.10 4.00 0.00 2.17 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 0.00 2.33 2.63 0.00 80 Q 8.26 3.94 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 81 E 7.94 3.89 0.00 2.25 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 2.31 2.41 0.00 82 I 7.90 3.69 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.91 0.00 0.00 83 R 7.68 3.91 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 84 R 7.92 3.91 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 85 L 8.16 3.97 0.00 1.81 1.72 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.14 3.95 0.00 2.05 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.56 7.81 87 E 8.27 3.90 0.00 2.15 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 2.30 2.35 0.00 88 V 8.34 3.57 2.26 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 0.98 0.00 0.00 0.99 0.00 0.00 89 I 8.04 3.71 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.91 0.00 0.00 90 A 7.81 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.04 3.95 0.00 1.84 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.41 3.90 0.00 1.93 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 93 N 8.35 4.50 0.00 2.92 2.87 0.00 0.00 7.06 6.56 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 94 K 7.75 4.00 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 95 N 8.58 4.35 0.00 2.79 2.96 0.00 0.00 7.24 7.02 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 96 T 8.38 3.87 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 1.21 0.00 0.00 97 E 8.13 3.94 0.00 2.17 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 0.00 2.33 2.60 0.00 98 R 7.93 3.86 0.00 1.89 2.11 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 99 L 8.14 3.96 0.00 1.87 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.64 4.27 0.00 2.85 2.88 0.00 0.00 6.96 7.14 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 0.00 101 A 8.25 3.95 1.38 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 0.00 0.00 0.00 102 A 8.13 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.33 3.80 0.00 1.79 1.68 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.97 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.91 0.00 0.00 105 S 8.35 4.16 0.00 3.96 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 0.00 106 G 8.93 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 0.00 107 T 8.20 3.86 4.39 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 1.21 0.00 0.00 108 I 7.97 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.91 0.00 0.00 109 E 8.22 3.91 0.00 2.19 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 2.31 2.35 0.00 110 N 8.42 4.29 0.00 2.83 2.86 0.00 0.00 6.73 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.19 4.42 0.00 2.77 3.02 0.00 0.00 6.82 7.86 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 0.00 112 V 7.80 3.57 2.24 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 0.94 0.00 0.00 0.96 0.00 0.00 113 L 8.15 3.92 0.00 2.04 1.65 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.22 4.00 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 115 Q 8.04 3.98 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 116 K 8.19 4.02 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.72 7.81 117 L 8.07 3.95 0.00 1.88 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.11 4.16 0.00 3.90 4.05 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 0.00 119 D 8.02 4.31 0.00 3.04 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 0.00 120 L 8.26 3.97 0.00 1.87 1.66 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.57 3.84 0.00 1.95 2.00 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 122 K 7.83 3.95 0.00 1.98 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.70 7.81 123 E 8.21 3.96 0.00 2.20 2.04 0.00 0.00 0.00 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 2.58 0.00 124 H 8.80 4.20 0.00 3.26 3.49 0.00 5.78 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 0.00 125 S 8.28 4.08 0.00 4.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.19 3.99 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 127 L 8.14 4.18 0.00 1.84 1.89 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.98 3.52 2.18 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 0.80 0.00 0.00 0.70 0.00 0.00 129 A 8.36 4.18 1.44 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 0.00 0.00 0.00 0.00 0.00 130 R 8.38 4.03 0.00 2.03 1.89 0.00 3.15 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 131 W 8.60 4.22 0.00 3.51 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 0.00 132 L 7.87 4.30 0.00 2.00 1.77 0.99 0.71 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 0.00 133 K 7.86 4.20 0.00 1.81 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.25 7.81