NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 94 M 4.4672 8.2893 120.3241 54.7483 33.9010 176.3728 95 K 3.8924 8.0609 118.9949 56.7594 33.2947 175.9278 96 D 5.4965 6.9817 130.6011 53.4498 43.0506 175.0344 97 P 4.4996 0.0000 0.0000 64.1280 32.9183 177.1711 98 I 4.6318 7.1633 118.8515 59.1609 41.7541 173.5160 99 I 4.8290 8.4027 125.9300 59.5844 39.4802 174.9865 100 I 4.3586 8.4854 127.5708 59.2563 39.5185 174.8201 101 E 4.2486 8.7984 129.2166 55.9712 29.2527 174.7185 102 S 4.3067 7.6776 119.8415 58.0154 64.2158 174.7259 103 Y 3.9251 7.1300 116.3188 58.5606 35.9290 168.9478 104 D 4.8303 7.2148 118.6774 52.1366 43.6710 176.3519 105 D 4.3212 7.3839 120.7725 56.3710 41.0970 177.2645 106 Y 4.7770 5.9823 113.6981 55.8435 39.3527 175.4279 107 R 4.1443 7.6569 120.5816 56.6771 30.6875 175.2547 108 Y 4.9538 8.4606 121.3061 56.7063 39.7033 174.6023 109 V 4.2112 9.3079 118.5363 59.7112 35.2610 174.6334 110 G 5.0813 8.7684 109.4575 44.5773 0.0000 171.9389 111 C 4.9765 8.4156 119.9385 56.3574 33.3013 174.0897 112 T 4.9397 7.4658 107.7442 60.7810 69.1719 174.7999 113 G 3.8899 8.4360 113.2483 45.3012 0.0000 174.5657 114 S 4.8816 7.7473 115.5665 57.0658 64.5421 175.7586 115 P 4.2565 0.0000 0.0000 65.2786 30.9840 176.1463 116 A 4.4367 7.9096 122.3206 52.9250 18.8963 176.8527 117 G 4.0454 7.6466 104.2409 47.7563 0.0000 176.3505 118 S 4.2728 8.3302 116.2282 60.9034 63.9097 174.1560 119 H 4.9348 7.6902 117.9581 55.3156 29.0325 173.1527 120 T 4.1310 8.6009 113.3045 61.8153 68.7244 172.7668 121 I 4.7231 7.8522 119.8320 59.9183 40.3041 175.7212 122 M 4.1664 7.5430 123.8711 54.0130 35.2743 173.1772 123 W 5.9887 8.3499 117.5020 55.3883 33.1673 174.7362 124 L 5.1702 9.3048 123.3714 52.9646 46.3932 175.7618 125 K 5.0380 8.5328 118.5884 54.9993 34.2094 174.3284 126 P 4.7453 0.0000 0.0000 62.9748 32.9183 175.1224 127 T 4.9183 8.1731 114.5434 61.5742 72.6286 175.6621 128 V 3.5892 8.8958 123.7524 65.2220 31.1209 177.3803 129 N 4.5855 8.0380 114.6634 54.1942 38.2785 173.7593 130 E 4.7201 8.4604 117.4941 55.2335 33.6261 173.7991 131 V 5.0479 8.0446 110.8701 60.6565 36.2584 174.7909 132 A 4.7829 9.0992 122.3080 50.7654 22.7298 175.2581 133 R 5.0262 8.5580 121.3108 54.7824 32.0855 175.4809 134 C 4.6823 9.2135 126.5740 59.3251 32.8168 173.4531 135 W 5.0431 8.3612 114.7068 55.8623 29.1654 176.0587 136 E 3.8076 7.3161 118.0754 58.3025 29.2927 177.1648 137 C 4.1092 7.5767 112.9649 58.7760 30.3706 175.0243 138 G 4.3951 8.1819 106.5444 46.4885 0.0000 173.4166 139 S 4.2374 7.4411 116.1578 58.2096 63.7454 174.0718 140 V 4.4502 8.1732 123.9398 62.9570 32.4484 174.6198 141 Y 4.7776 9.2248 123.1886 56.0713 42.3867 174.2787 142 K 4.8865 9.0230 122.5325 54.6113 35.9328 174.9528 143 L 5.0093 7.8918 124.2755 54.1248 43.1693 175.2411 144 N 5.1814 7.8787 120.6438 50.1992 39.9610 173.8751 145 P 4.3548 0.0000 0.0000 63.8154 31.5069 176.7480 146 V 3.3642 6.9796 118.5479 61.9851 31.5466 176.5835 147 G 3.8247 8.5446 111.1452 45.7886 0.0000 172.2389 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 94 M 8.29 4.47 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 95 K 8.06 3.89 0.00 1.91 1.90 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.52 7.81 96 D 6.98 5.50 0.00 2.67 2.63 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 97 P 0.00 4.50 0.00 2.13 2.04 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 98 I 7.16 4.63 1.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 0.99 0.00 0.00 99 I 8.40 4.83 1.86 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 1.32 0.84 0.88 0.00 0.00 100 I 8.49 4.36 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.27 0.85 0.00 0.00 101 E 8.80 4.25 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 102 S 7.68 4.31 0.00 3.73 3.56 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 0.00 103 Y 7.13 3.93 0.00 3.22 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 0.00 104 D 7.21 4.83 0.00 2.34 1.63 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 0.00 105 D 7.38 4.32 0.00 2.68 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 0.00 106 Y 5.98 4.78 0.00 3.08 3.06 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 0.00 107 R 7.66 4.14 0.00 1.69 1.80 0.00 3.16 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 108 Y 8.46 4.95 0.00 3.28 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.31 4.21 1.94 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 0.63 0.00 0.00 0.61 0.00 0.00 110 G 8.77 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.42 4.98 0.00 2.92 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 0.00 112 T 7.47 4.94 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 1.08 0.00 0.00 113 G 8.44 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.75 4.88 0.00 3.89 3.70 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 0.00 115 P 0.00 4.26 0.00 2.21 2.19 0.00 3.80 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 1.98 1.98 0.00 116 A 7.91 4.44 1.27 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 0.00 117 G 7.65 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 0.00 0.00 0.00 118 S 8.33 4.27 0.00 3.83 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 0.00 119 H 7.69 4.93 0.00 3.12 3.06 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.60 4.13 4.18 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 1.11 0.00 0.00 121 I 7.85 4.72 1.64 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.74 0.00 0.00 122 M 7.54 4.17 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.01 0.00 123 W 8.35 5.99 0.00 3.15 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 0.00 124 L 9.30 5.17 0.00 1.59 1.62 0.76 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.53 5.04 0.00 1.94 1.95 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.52 7.81 126 P 0.00 4.75 0.00 2.21 2.37 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 127 T 8.17 4.92 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 128 V 8.90 3.59 2.01 0.00 0.00 0.00 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 0.92 0.00 0.00 129 N 8.04 4.59 0.00 2.76 2.92 0.00 0.00 6.68 7.69 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 0.00 130 E 8.46 4.72 0.00 2.04 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 2.24 2.29 0.00 131 V 8.04 5.05 2.12 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 0.72 0.00 0.00 0.96 0.00 0.00 132 A 9.10 4.78 1.34 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 0.00 0.00 0.00 133 R 8.56 5.03 0.00 1.90 1.91 0.00 3.33 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 134 C 9.21 4.68 0.00 3.26 3.02 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 0.00 0.00 0.00 135 W 8.36 5.04 0.00 3.46 3.11 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 0.00 0.00 0.00 136 E 7.32 3.81 0.00 1.16 1.12 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 0.00 1.47 1.47 0.00 137 C 7.58 4.11 0.00 3.12 3.24 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 0.00 138 G 8.18 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.44 4.24 0.00 3.16 3.56 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 0.00 140 V 8.17 4.45 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 0.83 0.00 0.00 0.94 0.00 0.00 141 Y 9.22 4.78 0.00 3.10 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 9.02 4.89 0.00 1.78 1.59 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.50 7.81 143 L 7.89 5.01 0.00 1.70 1.63 0.91 0.91 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 0.00 144 N 7.88 5.18 0.00 2.65 2.81 0.00 0.00 6.91 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.35 0.00 2.16 2.18 0.00 3.74 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 1.93 1.92 0.00 146 V 6.98 3.36 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.73 0.00 0.00 147 G 8.54 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00