NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 H 4.7777 8.4444 117.8307 55.4323 30.9734 173.6538 85 K 4.2356 7.9662 118.2465 57.7186 34.1714 175.6596 86 D 5.0021 8.3392 125.4734 51.6425 40.4976 178.7418 87 D 4.1731 9.4239 130.8229 56.1448 39.7037 168.0851 88 Q 3.6188 8.6253 124.5671 56.1633 29.0252 172.4516 89 L 4.4439 8.4622 120.3174 56.3392 43.8570 177.0169 90 I 3.8376 7.6033 121.5801 61.6631 37.1124 177.6599 91 C 4.3950 9.1971 124.6472 59.8560 40.2737 176.7310 92 V 3.3321 7.7823 118.1621 64.8834 31.4663 175.1597 93 N 4.6791 8.2209 118.2481 52.3996 38.7577 174.7663 94 E 3.8409 9.3928 124.2227 57.5955 27.4721 175.0142 95 N 4.4595 8.5581 111.2301 53.2511 37.6355 174.5742 96 G 3.6287 8.9639 101.9687 45.6823 0.0000 175.6261 97 G 3.9486 8.4179 107.4925 45.1946 0.0000 173.9973 98 C 4.5063 7.6959 117.1159 56.5592 40.9112 173.6019 99 E 4.0715 8.7341 124.1639 58.3964 31.1479 177.6209 100 Q 4.1140 7.9346 111.7320 56.1631 30.8799 178.5187 101 Y 4.8135 5.4258 123.9648 58.3823 40.0357 173.7095 102 C 5.4830 8.7458 121.1770 55.1000 47.6384 173.2369 103 S 4.7818 9.0068 120.4935 56.9136 66.4454 173.0691 104 D 4.8941 8.7262 124.1374 54.0921 41.8359 175.3144 105 H 5.1003 8.2773 117.9373 53.6388 32.8055 173.7616 106 T 3.7074 8.5487 116.5885 65.9792 68.7032 174.9152 107 G 3.7851 8.6981 114.7361 44.8011 0.0000 172.7181 108 T 4.3391 8.0524 112.4020 62.9912 67.2643 174.0472 109 K 4.8488 7.4007 121.3199 54.8440 37.2534 177.0447 110 R 4.9439 8.3921 121.3537 55.2958 33.4713 174.2018 111 S 4.7565 9.1503 121.3463 57.0832 66.3703 172.7446 112 C 5.1684 8.9151 121.9963 56.2807 36.0497 172.9637 113 R 4.9266 9.1019 119.6678 54.9671 34.7137 173.3638 114 C 5.2313 8.5805 116.5513 55.0675 38.8684 173.8827 115 H 4.6012 9.8128 122.2350 55.6891 30.2386 174.4678 116 E 4.0526 8.3772 123.6980 57.9367 29.9106 177.1914 117 G 3.9479 9.6298 112.4187 45.4266 0.0000 172.0139 118 Y 5.2983 7.6701 115.4019 56.2916 42.2262 174.8421 119 S 4.8859 9.1269 116.9636 56.5883 67.1664 173.0886 120 L 4.6920 8.4752 124.9544 54.7617 42.8764 176.5982 121 L 4.5065 8.9361 126.4276 53.7804 43.0092 177.8733 122 A 4.0436 8.6498 122.6331 54.7563 18.3275 178.4118 123 D 4.3907 8.0464 114.0064 53.9588 39.8197 177.4755 124 G 3.9984 8.3437 108.1210 45.9880 0.0000 174.4512 125 V 4.3858 8.4466 111.8324 61.6118 35.5040 176.1299 126 S 4.9065 8.4007 115.6674 58.1439 64.4715 173.9951 127 C 5.5629 9.0714 120.1271 55.5410 42.7680 173.6841 128 T 4.9306 8.8889 119.3980 60.8392 71.7872 171.8872 129 P 4.3853 0.0000 0.0000 63.2325 31.6937 176.2194 130 T 4.5314 8.6485 112.0833 61.4477 70.0856 173.8484 131 V 4.4697 7.2973 114.0203 59.0875 35.5867 175.1477 132 E 3.7887 8.6597 121.5577 58.8360 29.7780 176.6217 133 Y 4.8371 7.2677 114.8355 55.2492 38.0063 173.1639 134 P 4.3725 0.0000 0.0000 61.9130 32.6954 176.9789 135 C 4.3523 8.5160 115.1276 59.6693 30.0031 174.0681 136 G 3.9641 8.8813 108.6097 45.8053 0.0000 173.3376 137 K 4.5560 7.5494 118.0650 54.3358 34.6352 176.7187 138 I 4.2855 8.0523 123.7806 59.0745 38.0529 174.7340 139 P 4.3072 0.0000 0.0000 65.8934 31.1329 178.5455 140 I 3.7798 7.8288 109.3623 63.6934 37.5956 177.2520 141 L 4.3210 7.8083 119.9434 56.9549 41.8143 178.5818 142 E 4.0548 8.4207 118.1950 58.5520 29.4577 178.4274 143 K 4.2671 7.9501 115.8741 55.3583 32.6112 176.8441 144 R 4.2610 7.8093 124.2077 56.7462 30.6843 175.9039 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 84 H 8.44 4.78 0.00 3.18 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.97 4.24 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.59 7.81 86 D 8.34 5.00 0.00 2.71 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 0.00 0.00 0.00 87 D 9.42 4.17 0.00 2.79 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 88 Q 8.63 3.62 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 89 L 8.46 4.44 0.00 1.60 1.68 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.60 3.84 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 1.41 1.20 0.96 0.00 0.00 91 C 9.20 4.40 0.00 3.13 3.14 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 0.00 92 V 7.78 3.33 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 0.79 0.00 0.00 0.93 0.00 0.00 93 N 8.22 4.68 0.00 2.95 2.74 0.00 0.00 6.94 6.94 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 94 E 9.39 3.84 0.00 2.15 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 2.30 2.27 0.00 95 N 8.56 4.46 0.00 2.94 2.80 0.00 0.00 7.60 7.92 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 96 G 8.96 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.42 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 98 C 7.70 4.51 0.00 3.06 2.99 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 99 E 8.73 4.07 0.00 1.92 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 2.18 2.20 0.00 100 Q 7.93 4.11 0.00 1.63 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.71 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 101 Y 5.43 4.81 0.00 2.92 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 0.00 102 C 8.75 5.48 0.00 2.94 2.92 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 0.00 103 S 9.01 4.78 0.00 3.70 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.73 4.89 0.00 2.53 2.56 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 0.00 105 H 8.28 5.10 0.00 2.97 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.55 3.71 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 0.00 107 G 8.70 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 0.00 108 T 8.05 4.34 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 1.21 0.00 0.00 109 K 7.40 4.85 0.00 1.71 1.70 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 110 R 8.39 4.94 0.00 1.88 1.75 0.00 3.35 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 111 S 9.15 4.76 0.00 3.85 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 0.00 112 C 8.92 5.17 0.00 2.97 2.99 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 0.00 113 R 9.10 4.93 0.00 1.80 1.88 0.00 3.11 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 114 C 8.58 5.23 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 9.81 4.60 0.00 3.20 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.38 4.05 0.00 1.99 1.95 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 2.35 2.36 0.00 117 G 9.63 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 0.00 118 Y 7.67 5.30 0.00 2.89 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 0.00 119 S 9.13 4.89 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.69 0.00 1.66 1.58 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.94 4.51 0.00 1.81 1.59 0.93 0.51 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 0.00 122 A 8.65 4.04 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 0.00 123 D 8.05 4.39 0.00 2.93 2.81 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 0.00 124 G 8.34 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 0.00 125 V 8.45 4.39 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 0.71 0.00 0.00 1.04 0.00 0.00 126 S 8.40 4.91 0.00 3.78 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 0.00 127 C 9.07 5.56 0.00 2.63 2.88 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 0.00 128 T 8.89 4.93 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 1.23 0.00 0.00 129 P 0.00 4.39 0.00 1.81 1.70 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 130 T 8.65 4.53 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 1.19 0.00 0.00 131 V 7.30 4.47 2.03 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 0.69 0.00 0.00 0.88 0.00 0.00 132 E 8.66 3.79 0.00 1.68 1.65 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 0.00 1.47 1.77 0.00 133 Y 7.27 4.84 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.37 0.00 1.67 1.62 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.74 0.00 135 C 8.52 4.35 0.00 3.13 3.03 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 0.00 136 G 8.88 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 0.00 0.00 0.00 137 K 7.55 4.56 0.00 2.00 1.76 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.33 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.64 7.81 138 I 8.05 4.29 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 1.66 0.82 0.93 0.00 0.00 139 P 0.00 4.31 0.00 2.26 2.35 0.00 3.66 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 140 I 7.83 3.78 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 1.66 0.54 0.93 0.00 0.00 141 L 7.81 4.32 0.00 1.89 1.75 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.42 4.05 0.00 2.06 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 2.56 2.52 0.00 143 K 7.95 4.27 0.00 1.75 1.84 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.60 7.81 144 R 7.81 4.26 0.00 1.98 1.92 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00