NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 T 4.4994 8.1593 117.3247 62.6649 69.9031 173.4476 102 P 4.3011 0.0000 0.0000 62.1319 32.6546 174.1761 103 D 4.4064 8.8560 121.7978 55.2699 41.5833 176.5455 104 C 4.8192 8.9356 120.1040 57.7297 46.2433 174.1071 105 V 4.7085 7.2872 110.2897 60.0987 36.0958 173.5276 106 T 4.9156 9.0879 118.8651 60.8819 72.2206 174.0928 107 G 3.9251 7.7437 110.8216 46.4416 0.0000 171.5546 108 K 4.8471 8.2046 119.0432 55.4994 33.5638 177.5220 109 V 3.9398 8.1568 122.0652 62.4396 31.6571 175.7327 110 E 4.3281 8.9838 128.7529 59.4039 29.8787 176.8047 111 Y 4.9716 7.0932 114.8022 56.4451 40.9902 173.1505 112 T 5.1108 8.6657 109.6210 59.8859 72.4589 173.0522 113 K 4.4940 8.3986 123.5929 54.9810 35.8026 174.1839 114 Y 4.6672 8.7380 128.8971 57.0298 39.7485 174.4175 115 N 4.8269 8.2467 124.0999 51.6974 40.5378 175.9101 116 D 4.3872 8.8346 120.3840 57.0340 41.4244 176.7184 117 D 4.7171 7.9536 116.4438 52.9349 39.5257 176.3562 118 D 4.0296 8.0449 117.1523 55.3499 39.0442 173.9322 119 T 4.5626 7.5520 110.4360 60.8771 71.3726 173.2027 120 F 5.2832 9.1768 123.5904 56.8313 42.4501 173.4946 121 T 5.3143 8.6923 123.4006 62.0974 70.8715 174.1307 122 V 4.7591 9.2054 124.3500 59.7184 35.3818 174.3119 123 K 4.6564 8.3593 124.3226 54.6916 34.2994 174.7869 124 V 4.5491 7.8670 127.3386 60.7752 34.7995 174.8969 125 G 3.8101 8.8965 116.0954 47.3623 0.0000 174.2487 126 D 4.8057 8.9121 123.5822 53.4843 41.6684 175.3829 127 K 4.7710 7.7998 119.5048 54.5452 35.1656 174.9187 128 E 4.8645 9.1544 124.7931 54.6672 31.6719 174.7050 129 L 5.5618 8.8735 126.5270 52.9463 46.3380 175.4398 130 F 5.7013 9.2339 114.5580 55.7791 41.9079 173.4498 131 T 4.5790 9.1558 113.9109 60.2883 70.6693 173.8269 132 N 4.9522 8.6842 123.0370 52.6759 38.4157 175.0247 133 R 4.2455 7.7779 120.0148 55.4068 29.9696 177.3463 134 W 4.3947 8.8962 124.5725 59.8118 28.2734 178.1922 135 N 4.4583 8.3359 116.0372 56.1001 38.0043 176.8971 136 L 4.3112 7.9827 119.6221 56.8790 41.7145 179.1437 137 Q 2.8078 7.6382 118.8760 58.7886 28.6498 179.0914 138 S 4.1161 7.7883 114.4807 61.1801 63.1443 176.2755 139 L 3.8481 7.3109 119.4253 57.7326 41.4013 179.4868 140 L 4.3726 8.6067 119.3206 57.6518 41.4716 179.3620 141 L 4.1671 8.1061 120.5599 58.1784 41.9705 179.1016 142 S 4.1135 8.2746 114.9737 61.6619 62.8044 176.5732 143 A 4.0850 8.1193 123.3997 55.0782 17.6691 179.5544 144 Q 3.9511 8.1866 118.1478 59.5050 28.9981 178.5201 145 I 3.8023 7.9117 120.0839 64.3278 37.3011 177.8264 146 T 4.3080 8.2281 108.0458 61.3017 69.1627 174.8063 147 G 3.8687 7.7437 109.1623 47.0510 0.0000 174.0638 148 M 4.4119 7.9534 118.2340 55.1889 33.2963 176.2440 149 T 4.5911 8.1911 117.2742 62.7033 70.4050 174.4803 150 V 4.8766 8.7677 119.6566 59.7457 35.4450 174.7369 151 T 4.8926 8.3662 120.1060 61.9325 71.2191 173.1100 152 I 4.5166 8.4030 128.0495 59.6460 39.1196 174.7850 153 K 4.9282 8.1900 126.9777 55.1205 33.5439 175.7789 154 T 4.3088 7.9282 117.1781 61.6099 70.2801 172.8680 155 N 4.3885 9.1224 124.9305 55.4140 40.0868 175.5703 156 A 4.4960 7.6530 124.0728 51.0883 17.6241 177.2742 157 C 4.7327 7.5321 122.3613 54.0672 44.1469 171.6997 158 H 4.6974 7.5963 117.4924 53.8023 30.5629 173.9779 159 N 4.5792 8.8243 118.4252 55.4380 38.5889 175.7692 160 G 4.0886 9.5797 111.9752 45.0744 0.0000 173.6409 161 G 4.0398 8.3825 107.5660 45.6265 0.0000 173.0628 162 T 5.1887 8.2669 110.2077 59.2838 71.1868 173.3699 163 F 5.0051 7.7738 116.1047 56.0368 40.9099 174.7895 164 S 4.3733 8.4469 110.5286 58.7634 64.5196 173.0933 165 E 4.7276 8.4085 122.1256 54.9478 32.3983 174.3161 166 V 4.8583 8.4644 125.5885 61.2627 35.3068 173.9298 167 I 4.4037 8.4825 127.8674 59.5630 39.5779 174.3919 168 F 4.9884 8.8913 126.0077 56.0492 39.9994 176.1549 169 R 4.3549 8.7821 122.3691 56.2299 30.4013 176.1152 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 T 8.16 4.50 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 1.20 0.00 0.00 102 P 0.00 4.30 0.00 2.18 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 103 D 8.86 4.41 0.00 2.53 2.60 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 0.00 0.00 0.00 0.00 104 C 8.94 4.82 0.00 2.89 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 0.00 105 V 7.29 4.71 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 0.60 0.00 0.00 0.77 0.00 0.00 106 T 9.09 4.92 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 107 G 7.74 3.93 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 0.00 0.00 0.00 108 K 8.20 4.85 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 109 V 8.16 3.94 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 0.84 0.00 0.00 0.97 0.00 0.00 110 E 8.98 4.33 0.00 1.75 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 2.36 2.35 0.00 111 Y 7.09 4.97 0.00 2.90 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 0.00 112 T 8.67 5.11 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 1.39 0.00 0.00 113 K 8.40 4.49 0.00 1.80 1.59 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.35 7.81 114 Y 8.74 4.67 0.00 3.22 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 0.00 115 N 8.25 4.83 0.00 2.73 2.58 0.00 0.00 6.21 7.36 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 0.00 116 D 8.83 4.39 0.00 2.64 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 0.00 117 D 7.95 4.72 0.00 2.84 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 0.00 118 D 8.04 4.03 0.00 3.12 2.71 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 0.00 119 T 7.55 4.56 4.64 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 1.46 0.00 0.00 120 F 9.18 5.28 0.00 3.01 2.97 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 0.00 0.00 0.00 0.00 121 T 8.69 5.31 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 1.35 0.00 0.00 122 V 9.21 4.76 2.25 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 0.68 0.00 0.00 0.91 0.00 0.00 123 K 8.36 4.66 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.41 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.90 1.09 7.81 124 V 7.87 4.55 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 0.84 0.00 0.00 0.78 0.00 0.00 125 G 8.90 3.81 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 0.00 0.00 0.00 126 D 8.91 4.81 0.00 2.63 2.67 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 0.00 0.00 0.00 0.00 127 K 7.80 4.77 0.00 1.62 1.64 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.45 7.81 128 E 9.15 4.86 0.00 2.05 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 2.26 2.26 0.00 129 L 8.87 5.56 0.00 1.56 1.79 0.68 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 130 F 9.23 5.70 0.00 3.23 3.10 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 0.00 0.00 0.00 0.00 131 T 9.16 4.58 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 1.20 0.00 0.00 132 N 8.68 4.95 0.00 2.95 3.02 0.00 0.00 6.13 7.66 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 0.00 133 R 7.78 4.25 0.00 1.89 1.93 0.00 3.25 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 134 W 8.90 4.39 0.00 3.34 3.21 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 0.00 135 N 8.34 4.46 0.00 2.78 2.91 0.00 0.00 7.19 6.74 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 0.00 136 L 7.98 4.31 0.00 1.96 1.84 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.64 2.81 0.00 1.75 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 1.69 2.25 0.00 138 S 7.79 4.12 0.00 4.00 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 0.00 139 L 7.31 3.85 0.00 1.96 1.45 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.61 4.37 0.00 2.01 2.08 1.42 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.11 4.17 0.00 2.03 1.72 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.27 4.11 0.00 4.04 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.12 4.08 1.64 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 0.00 0.00 144 Q 8.19 3.95 0.00 2.34 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 145 I 7.91 3.80 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 0.93 0.00 0.00 146 T 8.23 4.31 4.26 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 1.27 0.00 0.00 147 G 7.74 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 M 7.95 4.41 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 149 T 8.19 4.59 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 1.19 0.00 0.00 150 V 8.77 4.88 1.78 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 0.77 0.00 0.00 0.83 0.00 0.00 151 T 8.37 4.89 4.15 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 1.14 0.00 0.00 152 I 8.40 4.52 1.55 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.44 0.33 0.00 0.00 153 K 8.19 4.93 0.00 1.62 1.70 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.30 7.81 154 T 7.93 4.31 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 1.23 0.00 0.00 155 N 9.12 4.39 0.00 2.70 2.82 0.00 0.00 6.93 7.96 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 0.00 156 A 7.65 4.50 1.25 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 0.00 0.00 0.00 157 C 7.53 4.73 0.00 3.08 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 0.00 158 H 7.60 4.70 0.00 3.36 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.82 4.58 0.00 2.79 2.88 0.00 0.00 7.11 7.65 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 0.00 160 G 9.58 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 0.00 0.00 0.00 161 G 8.38 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 162 T 8.27 5.19 3.60 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 0.00 0.00 0.00 0.55 0.00 0.00 163 F 7.77 5.01 0.00 2.94 2.90 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 0.00 164 S 8.45 4.37 0.00 3.89 3.78 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 0.00 165 E 8.41 4.73 0.00 2.05 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 0.00 2.27 2.30 0.00 166 V 8.46 4.86 1.79 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 0.27 0.00 0.00 1.15 0.00 0.00 167 I 8.48 4.40 1.78 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 0.74 0.90 0.00 0.00 168 F 8.89 4.99 0.00 2.92 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 0.00 169 R 8.78 4.35 0.00 1.88 1.80 0.00 3.14 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00