NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 A 4.3132 8.1227 123.5837 51.5259 21.1233 178.3389 80 L 3.8358 8.4330 117.0428 56.8351 42.8223 174.5263 81 V 3.9077 8.6319 111.4116 64.4421 32.4912 176.7764 82 D 4.5904 8.0494 118.4916 56.1601 41.1233 177.3297 83 V 4.4008 7.5112 109.7432 60.4964 33.9680 175.3808 84 F 4.3783 8.6847 122.4000 58.8536 39.7224 174.3014 85 I 4.3997 7.0453 125.4856 62.4708 40.1846 175.7026 86 K 4.1638 6.2690 118.9693 55.1934 35.5223 173.9963 87 L 5.1313 8.6683 127.0188 53.6622 44.6617 174.4551 88 D 5.0663 8.6719 126.3900 52.6739 45.0439 174.1250 89 G 4.4336 8.2877 105.5926 46.7143 0.0000 173.2408 90 T 4.6990 8.7091 110.2176 61.3539 73.0638 173.6330 91 G 4.0616 8.4151 114.6933 47.1805 0.0000 174.2558 92 N 4.9114 8.7575 122.1683 52.6794 37.6734 173.6947 93 L 5.1755 8.2328 120.3758 53.2688 44.4755 175.3166 94 L 5.1376 8.7074 122.5581 52.8695 45.4123 175.6811 95 V 4.6515 8.8514 123.6765 61.2035 33.8699 173.8406 96 L 4.8106 8.8558 131.8881 53.6854 43.7208 174.9262 97 R 4.9640 8.7989 128.0254 55.2178 31.9354 175.1344 98 T 4.9779 8.5316 115.9799 59.3944 72.4017 173.3066 99 L 4.2409 8.2794 120.5011 53.8528 42.8774 175.6865 100 P 4.2998 0.0000 0.0000 64.4469 31.6107 177.2644 101 G 3.9406 8.5783 110.1017 45.9596 0.0000 173.6626 102 N 4.7810 7.9537 115.9424 52.9387 39.4079 176.6368 103 A 3.9777 8.0867 122.3572 55.7490 18.4620 180.0560 104 H 4.0676 8.2273 113.5529 58.4119 28.5751 177.8065 105 A 4.0192 7.9757 123.0585 54.8999 18.3321 179.2237 106 I 3.9384 7.6390 110.8992 63.2830 37.9790 178.5500 107 G 3.6126 8.1388 108.1332 47.6326 0.0000 175.9292 108 V 3.5871 7.8300 120.5837 65.5079 31.3142 177.8753 109 L 3.8217 7.2520 119.0791 58.1254 42.3705 178.6162 110 L 3.7743 8.2902 119.0480 57.9853 41.3021 179.4294 111 D 4.3492 8.1095 118.4637 57.2083 40.4420 178.4406 112 N 4.2016 7.7215 116.0599 55.5849 38.6204 177.0392 113 L 3.9044 7.3280 119.8309 55.0713 42.3809 176.3472 114 D 4.3348 7.3206 116.6613 54.8042 40.2960 173.8282 115 W 4.6912 7.6791 118.2351 56.5209 30.1500 177.8949 116 D 4.5245 8.9417 122.8892 57.4440 40.8819 177.9137 117 E 4.0596 8.3272 118.3712 58.6787 29.7638 176.4299 118 I 4.4214 7.5797 120.2521 60.1888 37.3714 175.8060 119 V 3.7639 9.0527 127.7728 65.2772 32.0583 175.9563 120 G 4.1955 7.3600 105.7938 46.2388 0.0000 172.0384 121 T 5.3351 8.4787 109.0562 59.8688 72.2687 173.4666 122 I 4.6252 8.6509 123.2857 59.8956 40.9030 174.0469 123 C 5.1886 8.8249 124.1962 56.8432 30.8708 173.2897 124 G 4.0728 8.7790 108.8620 45.9983 0.0000 173.6046 125 D 4.7467 9.0361 124.0660 54.9847 42.7245 175.6060 126 D 5.0238 7.9760 114.0891 52.8807 41.6861 174.7261 127 T 5.0715 7.8326 115.3590 62.1545 72.8070 172.0704 128 C 5.0121 9.2365 126.2298 57.4863 34.4799 172.1086 129 L 4.8227 9.0598 129.4995 53.9214 43.4887 175.1138 130 I 4.7127 8.7839 128.7921 59.8766 39.0083 175.2247 131 I 4.4095 8.7277 130.2787 60.7426 37.8343 175.3892 132 C 5.0547 8.6928 125.4052 57.9149 29.9378 174.6347 133 R 4.0358 8.4512 121.4207 59.1773 30.0291 177.2822 134 T 4.7797 7.5408 106.2460 58.5195 73.3027 172.8936 135 P 4.7004 0.0000 0.0000 64.9106 31.2433 178.9706 136 K 3.9280 7.9752 118.2423 59.6749 32.1597 178.5126 137 D 4.3716 8.2008 118.9381 57.0786 40.6774 178.6954 138 A 4.0084 8.1197 121.5906 55.0010 18.4254 179.4893 139 K 3.8940 8.3325 118.5232 59.4168 32.2348 178.8637 140 K 3.8319 7.9895 119.8038 59.5782 32.1529 178.8810 141 V 3.5446 8.0774 118.8612 66.0555 31.3837 177.7880 142 S 4.1682 8.6425 113.1726 61.5840 62.2750 175.9946 143 N 4.3302 8.3097 119.0894 56.5061 38.0771 177.5276 144 Q 3.9906 7.8846 118.3133 58.6429 28.9407 178.6258 145 L 4.3209 8.2848 120.2698 58.0114 41.9255 179.6079 146 L 3.9129 8.1826 118.9378 57.2633 41.2761 179.2981 147 S 4.3216 7.7668 112.9034 60.3763 63.1489 175.1785 148 M 4.3836 7.5289 121.1851 55.3049 32.0198 175.9490 149 L 4.1184 7.4827 124.8441 54.8582 41.9187 176.4172 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 79 A 8.12 4.31 1.26 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 0.00 0.00 80 L 8.43 3.84 0.00 1.83 1.70 1.11 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.63 3.91 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 0.93 0.00 0.00 82 D 8.05 4.59 0.00 2.86 2.75 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 0.00 0.00 0.00 83 V 7.51 4.40 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 0.98 0.00 0.00 1.05 0.00 0.00 84 F 8.68 4.38 0.00 3.08 2.95 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 85 I 7.05 4.40 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.73 0.80 0.00 0.00 86 K 6.27 4.16 0.00 1.66 1.38 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.33 7.81 87 L 8.67 5.13 0.00 2.07 1.79 1.04 1.28 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 88 D 8.67 5.07 0.00 2.74 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 89 G 8.29 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.71 4.70 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 91 G 8.42 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.76 4.91 0.00 3.15 3.00 0.00 0.00 5.82 6.67 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 93 L 8.23 5.18 0.00 1.87 1.60 0.93 0.43 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 94 L 8.71 5.14 0.00 1.62 1.57 1.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.85 4.65 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 0.99 0.00 0.00 0.93 0.00 0.00 96 L 8.86 4.81 0.00 1.82 1.51 0.83 0.93 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 97 R 8.80 4.96 0.00 1.81 1.56 0.00 3.21 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 98 T 8.53 4.98 4.30 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 1.17 0.00 0.00 99 L 8.28 4.24 0.00 1.66 1.62 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.30 0.00 2.03 2.00 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 101 G 8.58 3.94 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 0.00 0.00 0.00 102 N 7.95 4.78 0.00 2.95 2.82 0.00 0.00 6.85 7.64 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 0.00 103 A 8.09 3.98 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 0.00 104 H 8.23 4.07 0.00 3.25 3.37 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.98 4.02 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 0.00 106 I 7.64 3.94 1.88 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 1.45 0.65 0.95 0.00 0.00 107 G 8.14 3.61 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 0.00 0.00 0.00 108 V 7.83 3.59 2.23 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 0.96 0.00 0.00 0.98 0.00 0.00 109 L 7.25 3.82 0.00 1.58 1.78 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.29 3.77 0.00 1.56 1.54 0.88 0.81 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 0.00 111 D 8.11 4.35 0.00 2.70 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 0.00 112 N 7.72 4.20 0.00 2.92 2.80 0.00 0.00 7.05 7.90 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 0.00 113 L 7.33 3.90 0.00 1.06 0.44 0.81 0.42 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 0.00 114 D 7.32 4.33 0.00 2.79 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 0.00 115 W 7.68 4.69 0.00 3.45 3.18 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 0.00 116 D 8.94 4.52 0.00 2.69 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 0.00 117 E 8.33 4.06 0.00 2.17 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 2.51 0.00 118 I 7.58 4.42 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.95 0.00 0.00 119 V 9.05 3.76 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 0.72 0.00 0.00 0.97 0.00 0.00 120 G 7.36 4.20 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 0.00 121 T 8.48 5.34 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 1.23 0.00 0.00 122 I 8.65 4.63 1.86 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 1.22 0.50 0.90 0.00 0.00 123 C 8.82 5.19 0.00 2.23 2.58 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 0.00 124 G 8.78 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.04 4.75 0.00 2.74 2.64 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 0.00 126 D 7.98 5.02 0.00 2.95 2.77 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 0.00 127 T 7.83 5.07 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 1.18 0.00 0.00 128 C 9.24 5.01 0.00 2.87 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 0.00 129 L 9.06 4.82 0.00 1.75 1.51 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.78 4.71 1.91 0.00 0.00 0.91 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 0.71 0.96 0.00 0.00 131 I 8.73 4.41 1.88 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 1.23 0.48 0.92 0.00 0.00 132 C 8.69 5.05 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.45 4.04 0.00 1.82 2.14 0.00 3.23 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 134 T 7.54 4.78 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 0.00 135 P 0.00 4.70 0.00 2.18 2.22 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 136 K 7.98 3.93 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 137 D 8.20 4.37 0.00 2.96 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 0.00 138 A 8.12 4.01 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 0.00 139 K 8.33 3.89 0.00 1.87 1.99 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 140 K 7.99 3.83 0.00 1.87 1.92 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.30 7.81 141 V 8.08 3.54 2.31 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 1.32 0.00 0.00 1.16 0.00 0.00 142 S 8.64 4.17 0.00 3.93 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 0.00 143 N 8.31 4.33 0.00 2.87 2.81 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.88 3.99 0.00 1.64 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 145 L 8.28 4.32 0.00 2.00 1.82 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.18 3.91 0.00 1.66 1.65 0.95 0.49 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 0.00 147 S 7.77 4.32 0.00 4.03 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 0.00 148 M 7.53 4.38 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.65 0.00 149 L 7.48 4.12 0.00 1.71 1.41 0.48 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00