NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3741 8.1627 120.6114 55.3847 34.2115 173.9236 102 L 5.0042 8.5588 127.3135 51.7562 43.1503 173.6911 103 I 4.5372 9.2562 121.5473 59.0165 41.3745 174.0969 104 K 5.1157 8.3271 122.5653 54.6909 34.9736 175.8127 105 V 4.4903 8.5678 125.7582 58.9170 31.9637 173.8963 106 K 3.8797 8.6008 129.3834 57.6875 33.2635 176.4641 107 T 4.2503 8.4956 122.9349 61.6402 68.9996 173.9607 108 L 4.5947 8.3834 123.9974 55.5140 41.1679 177.0826 109 T 4.5833 7.3607 104.8072 60.7859 69.5895 174.1568 110 G 4.1417 8.0244 108.0528 46.9758 0.0000 175.7274 111 K 3.7919 7.5908 122.7659 58.2138 32.1692 173.5852 112 E 3.5776 8.1788 126.5006 55.7386 27.1668 172.6034 113 I 4.4854 7.7105 118.5140 59.1182 40.5612 173.9837 114 E 5.0350 8.5792 124.2722 54.9881 31.3979 174.9601 115 I 4.7311 9.3625 126.5678 59.7155 42.1624 174.0744 116 D 5.2530 8.6621 124.4357 53.1227 41.7677 176.1073 117 I 4.6686 8.7750 124.6334 59.5775 41.1055 174.9355 118 E 4.5317 8.8747 126.0784 54.1622 31.0657 175.6645 119 P 4.6621 0.0000 0.0000 61.9524 30.8890 176.7479 120 T 4.7247 9.9009 107.5797 62.4123 72.2797 173.0348 121 D 4.4803 8.0879 122.4302 54.0822 41.4672 176.0065 122 K 4.4095 8.6231 123.6890 56.6503 33.0223 177.8310 123 V 3.5773 9.3717 122.7114 66.4797 30.8064 177.9780 124 E 3.8429 7.7585 117.5889 59.7841 29.3211 179.0822 125 R 3.9658 8.1443 118.3824 59.2712 29.7443 178.2760 126 I 3.7093 7.9512 119.9629 64.3942 36.9640 178.5669 127 K 3.9985 7.9270 118.7609 59.4940 31.9777 179.0091 128 E 4.0136 7.7924 117.9245 59.5176 29.1705 179.7258 129 R 3.8983 8.1031 118.1692 59.0585 30.0860 179.3094 130 V 3.5516 7.3966 117.5195 66.0652 31.5454 177.6933 131 E 4.0953 8.5353 119.4763 59.1520 29.1169 178.4243 132 E 3.8952 8.2250 118.9801 59.2936 29.8508 178.6249 133 K 4.1986 7.6951 116.8726 58.1081 32.3766 178.1157 134 E 4.6304 8.7409 116.8183 54.8641 31.2773 176.5651 135 G 3.7134 8.2113 106.7184 46.3926 0.0000 173.8894 136 I 4.1309 7.6052 121.3446 58.4312 37.0199 173.7324 137 P 4.3242 0.0000 0.0000 62.3766 31.8519 175.9790 138 P 4.2924 0.0000 0.0000 65.6386 31.7108 178.3842 139 Q 4.0288 8.3378 116.6136 58.7095 28.6181 178.4691 140 Q 4.6661 7.6549 113.8111 56.1647 29.2219 175.2161 141 Q 4.6167 7.7143 116.3026 55.3342 31.4583 176.2191 142 R 4.5057 8.1271 119.6080 54.3722 33.1729 174.3522 143 L 4.7978 8.3106 124.1312 54.4656 43.8062 176.5488 144 I 4.7424 8.6689 122.2797 60.1720 41.2152 173.4835 145 Y 4.7454 8.5747 129.8058 56.6310 39.9598 176.2866 146 S 3.2945 9.5083 117.3273 59.4674 60.8965 170.1312 147 G 3.9832 7.5933 118.6322 46.2640 0.0000 171.4460 148 K 3.8065 7.6172 117.9365 56.2970 32.8266 175.6773 149 Q 4.8743 8.4400 120.8023 54.4343 29.9963 175.1723 150 M 3.0718 7.8079 123.9645 55.8871 32.9176 175.5727 151 N 4.8451 9.8276 123.1653 51.4811 40.3043 175.9639 152 D 4.7930 8.7895 123.6598 53.9198 38.8493 177.0965 153 E 4.5442 8.7221 121.1921 56.5962 31.7805 175.8794 154 K 4.4544 7.7893 117.5886 55.4436 34.5290 174.8841 155 T 4.9502 8.4085 112.4761 60.2984 70.2584 175.0343 156 A 4.0049 8.5669 129.3050 55.5900 18.8660 180.2722 157 A 4.0257 8.1135 118.0255 55.3426 18.7360 179.0688 158 D 4.4631 8.0886 115.2789 57.4007 40.9072 177.3856 159 Y 4.5444 7.9183 113.2394 57.1709 38.1449 175.4610 160 K 3.9671 8.5279 118.2395 57.4056 29.9980 175.8924 161 I 3.6589 7.6816 120.4192 61.1350 37.3771 175.8682 162 L 4.7476 8.1752 124.1476 53.9816 46.7029 177.5365 163 G 3.9000 8.4468 110.5710 47.0391 0.0000 175.0255 164 G 3.9425 8.4850 107.6766 45.3576 0.0000 173.4130 165 S 4.4775 7.7782 114.7513 57.8983 64.8960 173.7932 166 V 4.4956 8.5028 122.7480 61.6809 32.6669 174.7683 167 L 4.9342 8.8350 128.0268 53.4778 44.6740 175.0322 168 H 5.3869 8.6761 118.6115 53.9499 31.8787 173.2918 169 L 4.8464 8.6366 123.8877 54.7286 42.3977 176.4986 170 V 4.6181 8.3555 121.4164 60.8470 35.0793 173.6753 171 L 4.4178 8.2214 119.6907 54.0122 44.5885 173.5419 172 A 4.8307 8.4046 125.9061 50.2083 21.4911 175.8231 173 L 4.8676 8.1629 120.4514 53.0381 44.9424 177.2630 174 R 4.0348 8.7133 121.2473 59.0725 30.4236 177.5958 175 G 3.8643 7.9428 104.3500 45.8136 0.0000 173.3949 176 G 3.7468 8.2263 106.8398 46.2846 0.0000 173.5590 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 101 M 8.16 4.37 0.00 2.43 1.98 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 102 L 8.56 5.00 0.00 1.71 1.55 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.26 4.54 1.78 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 1.15 0.57 0.92 0.00 0.00 104 K 8.33 5.12 0.00 1.63 1.69 0.00 1.60 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.32 7.81 105 V 8.57 4.49 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 0.68 0.00 0.00 0.95 0.00 0.00 106 K 8.60 3.88 0.00 1.76 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 107 T 8.50 4.25 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 1.32 0.00 0.00 108 L 8.38 4.59 0.00 1.63 1.63 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.36 4.58 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 0.00 110 G 8.02 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 0.00 0.00 0.00 111 K 7.59 3.79 0.00 1.92 1.85 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 112 E 8.18 3.58 0.00 2.14 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 2.16 2.26 0.00 113 I 7.71 4.49 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 1.33 1.04 0.91 0.00 0.00 114 E 8.58 5.03 0.00 1.98 1.85 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 2.20 2.30 0.00 115 I 9.36 4.73 1.84 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 1.21 0.82 0.89 0.00 0.00 116 D 8.66 5.25 0.00 2.54 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 0.00 117 I 8.78 4.67 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.89 0.00 0.00 118 E 8.87 4.53 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 119 P 0.00 4.66 0.00 2.03 2.08 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 120 T 9.90 4.72 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 1.24 0.00 0.00 121 D 8.09 4.48 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.62 4.41 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.45 7.81 123 V 9.37 3.58 2.22 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 1.06 0.00 0.00 1.17 0.00 0.00 124 E 7.76 3.84 0.00 2.44 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 2.32 2.36 0.00 125 R 8.14 3.97 0.00 1.93 1.97 0.00 3.35 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 126 I 7.95 3.71 1.97 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 1.50 1.04 0.86 0.00 0.00 127 K 7.93 4.00 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 128 E 7.79 4.01 0.00 2.19 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 2.33 2.54 0.00 129 R 8.10 3.90 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 130 V 7.40 3.55 2.33 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 1.03 0.00 0.00 0.98 0.00 0.00 131 E 8.54 4.10 0.00 2.18 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 0.00 2.30 2.32 0.00 132 E 8.22 3.90 0.00 2.12 2.13 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 2.32 2.35 0.00 133 K 7.70 4.20 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 134 E 8.74 4.63 0.00 1.95 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 2.23 2.41 0.00 135 G 8.21 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 4.13 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 0.63 0.91 0.00 0.00 137 P 0.00 4.32 0.00 2.17 2.03 0.00 3.61 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 138 P 0.00 4.29 0.00 2.17 2.11 0.00 3.62 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 139 Q 8.34 4.03 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.56 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 140 Q 7.65 4.67 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 141 Q 7.71 4.62 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.41 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 142 R 8.13 4.51 0.00 1.82 1.81 0.00 3.28 0.00 0.00 3.33 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 143 L 8.31 4.80 0.00 1.53 1.50 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.67 4.74 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 1.10 0.89 1.01 0.00 0.00 145 Y 8.57 4.75 0.00 2.79 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 0.00 146 S 9.51 3.29 0.00 3.85 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.59 3.98 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 0.00 0.00 0.00 148 K 7.62 3.81 0.00 2.05 1.98 0.00 1.85 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.57 7.81 149 Q 8.44 4.87 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 150 M 7.81 3.07 0.00 1.68 1.87 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.32 0.00 151 N 9.83 4.85 0.00 2.90 2.89 0.00 0.00 6.59 8.74 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 0.00 152 D 8.79 4.79 0.00 2.88 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 0.00 153 E 8.72 4.54 0.00 1.90 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 0.00 2.21 2.29 0.00 154 K 7.79 4.45 0.00 2.00 1.78 0.00 1.32 0.00 0.00 1.31 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.42 7.81 155 T 8.41 4.95 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 1.29 0.00 0.00 156 A 8.57 4.00 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 0.00 157 A 8.11 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.09 4.46 0.00 2.78 2.39 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 0.00 159 Y 7.92 4.54 0.00 2.99 3.13 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 0.00 160 K 8.53 3.97 0.00 2.07 2.05 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 161 I 7.68 3.66 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.47 0.63 0.00 0.00 162 L 8.18 4.75 0.00 1.79 1.50 0.96 0.83 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 0.00 163 G 8.45 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.48 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 0.00 165 S 7.78 4.48 0.00 3.97 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 0.00 166 V 8.50 4.50 2.14 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 0.76 0.00 0.00 0.96 0.00 0.00 167 L 8.83 4.93 0.00 1.55 1.50 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.68 5.39 0.00 3.14 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.64 4.85 0.00 1.45 1.59 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.36 4.62 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 0.64 0.00 0.00 0.93 0.00 0.00 171 L 8.22 4.42 0.00 1.56 1.52 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.40 4.83 1.21 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 0.00 0.00 173 L 8.16 4.87 0.00 1.60 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.71 4.03 0.00 1.80 1.97 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 175 G 7.94 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.23 3.75 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 0.00 0.00 0.00