NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 111 E 4.4286 8.4293 116.7683 54.7814 31.6897 175.5198 112 P 4.1451 0.0000 0.0000 60.7562 32.0490 172.2774 113 V 2.0000 7.6116 120.2113 65.2321 32.4033 179.3939 114 S 3.9867 7.7035 115.4686 60.7848 62.9741 175.6041 115 K 4.3096 7.6879 121.4838 55.1589 32.3018 182.6763 116 W 4.7949 8.0434 118.4033 57.7030 29.7968 176.0936 117 S 4.8198 9.3843 117.8324 57.0318 65.1142 173.4923 118 P 5.0102 0.0000 0.0000 65.5100 30.9316 178.8337 119 S 4.1673 8.0576 111.1805 61.3564 62.3986 176.0632 120 Q 3.7257 7.9540 120.6300 58.5708 28.1029 178.7427 121 V 3.9881 7.6685 118.4452 66.1556 31.7135 177.9631 122 V 3.8008 7.6830 116.6981 66.1220 31.4624 177.2740 123 D 4.5241 7.9941 117.5457 57.0126 40.9296 179.2078 124 W 4.2012 7.9758 126.0361 58.3135 30.7142 177.4812 *126 K 4.7351 7.5487 117.1703 55.8236 33.3382 176.8419 127 G 3.7273 7.7322 105.6700 45.5746 0.0000 173.5335 128 L 4.3040 6.9412 120.0241 52.6184 44.1049 175.5868 129 D 4.4190 8.2855 118.0346 55.2966 41.5499 177.6206 130 D 4.3580 8.8636 122.5809 57.8144 40.6143 178.8788 131 C 4.2770 7.9372 112.3232 60.0225 30.0570 174.5919 132 L 4.5898 7.8476 120.9789 55.7140 41.8718 178.3203 133 Q 3.9299 7.7838 118.6175 58.6326 28.3505 178.4101 134 Q 3.9151 7.7435 116.7065 58.5791 28.9487 176.7509 135 Y 4.6268 7.5871 115.6818 59.0888 38.8574 177.4898 136 I 3.7564 7.7529 121.6322 64.3198 37.1095 177.9769 137 K 4.1201 8.2051 118.9684 60.3592 32.0951 178.7086 138 N 4.3995 8.2862 116.9563 56.0911 38.6537 177.0797 139 F 4.0443 8.5838 118.9168 60.6552 39.0799 177.5707 140 E 4.0815 8.8866 120.7612 60.1534 29.1201 180.0875 141 R 3.9905 8.1496 119.4488 61.6740 29.6179 179.9883 142 E 4.4110 8.3880 118.5341 56.1321 30.3015 177.2789 143 K 3.8587 7.9034 119.6959 55.2421 29.8639 181.6749 144 I 3.9889 7.7539 122.1874 62.1052 37.6652 177.2420 145 S 5.0185 9.1149 121.6778 57.1704 65.6301 175.2974 146 G 3.6094 8.7086 108.8297 48.0601 0.0000 175.4919 147 D 4.2584 7.9248 118.8278 57.2516 41.4655 177.8828 148 Q 4.1098 7.9632 118.1445 58.6572 28.6528 178.5686 149 L 4.0131 8.0535 121.4079 58.2753 42.0095 179.0306 150 L 3.9090 7.5891 117.3062 57.1719 41.5349 178.7400 151 R 4.3860 7.1193 115.3422 54.8594 30.7791 176.4223 152 I 4.4565 7.5054 119.8269 60.7213 38.7602 175.4750 153 T 4.7133 8.1985 116.1785 59.6221 72.8670 174.8047 154 H 4.1150 8.6669 117.9432 59.2039 28.6819 177.8238 155 Q 3.9504 8.0509 120.7249 59.1927 29.0541 177.8571 156 E 3.9470 8.1849 119.6754 59.2501 29.3645 179.3458 157 L 3.9012 8.0030 118.9366 57.7989 41.7458 179.0994 158 E 4.1757 8.1869 119.9552 59.1189 29.2763 179.4949 159 D 4.4439 7.9907 116.8131 56.7637 40.8407 177.7995 160 L 4.4075 7.4443 117.6857 54.4892 41.7443 177.5267 161 G 3.9986 8.1252 107.5800 45.3373 0.0000 175.0793 162 V 3.7197 7.8424 121.7522 61.4530 29.8776 175.9180 163 S 4.4215 8.2026 119.4649 59.2827 64.3235 176.1163 164 R 4.1025 7.8636 121.3308 55.6908 30.6361 177.2506 165 I 3.8858 8.5329 125.7754 64.2071 37.2827 178.5024 166 G 3.7034 8.1143 106.3285 48.2362 0.0000 175.3205 167 H 4.4112 8.1488 117.9801 58.5502 28.8037 177.5553 168 Q 3.9585 8.0877 119.9507 59.2692 28.5924 179.0643 169 E 4.0186 8.4017 119.3854 59.2546 29.4445 179.4186 170 L 4.0352 7.9157 118.8735 57.7839 41.5950 179.6601 171 I 3.7289 7.7540 119.6569 64.4697 37.0448 178.5015 172 L 4.0130 8.2935 120.2253 57.6071 41.4129 179.0126 173 E 3.9290 8.7083 119.5334 59.4892 29.5253 178.9234 174 A 4.1589 8.0773 120.5782 55.1871 18.4152 179.7466 175 V 3.5419 8.3914 117.0816 66.2172 31.6074 178.0078 176 D 4.3766 8.4224 118.7708 57.3924 40.6808 178.7459 177 L 4.0347 8.0552 119.4580 57.7675 41.6275 179.3710 178 L 3.9207 8.2094 120.3659 58.1029 41.9499 178.6044 179 C 3.8442 8.4419 118.8730 62.2830 31.5501 175.2013 180 A 4.0426 7.9935 122.3505 55.2848 17.9524 179.6118 181 L 3.8691 7.8443 117.2319 57.9160 41.5127 178.9027 182 N 3.9662 7.9101 115.9889 56.7543 38.7578 175.4941 183 Y 4.6692 7.4838 113.9744 56.2751 39.2487 175.7979 184 G 4.0361 7.8379 108.2413 46.6010 0.0000 173.8235 185 L 4.1923 8.4473 121.2716 54.9561 41.5787 177.7876 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 111 E 8.43 4.43 0.00 2.01 1.82 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 2.13 1.88 0.00 112 P 0.00 4.15 0.00 2.16 2.12 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 113 V 7.61 2.00 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 -0.09 0.00 0.00 -0.09 0.00 0.00 114 S 7.70 3.99 0.00 3.95 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 0.00 115 K 7.69 4.31 0.00 1.80 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.27 7.81 116 W 8.04 4.79 0.00 3.44 3.08 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 0.00 117 S 9.38 4.82 0.00 4.04 4.03 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 0.00 118 P 0.00 5.01 0.00 2.23 2.25 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 119 S 8.06 4.17 0.00 3.89 3.85 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 0.00 0.00 0.00 120 Q 7.95 3.73 0.00 2.25 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 121 V 7.67 3.99 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.27 0.00 0.00 122 V 7.68 3.80 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 0.95 0.00 0.00 1.08 0.00 0.00 123 D 7.99 4.52 0.00 2.69 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 0.00 124 W 7.98 4.20 0.00 3.38 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.55 4.74 0.00 1.93 1.83 0.00 1.80 0.00 0.00 2.32 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.55 7.81 127 G 7.73 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 0.00 0.00 0.00 128 L 6.94 4.30 0.00 1.30 1.37 -0.11 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.29 4.42 0.00 2.63 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 0.00 130 D 8.86 4.36 0.00 2.63 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 0.00 131 C 7.94 4.28 0.00 3.04 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 0.00 132 L 7.85 4.59 0.00 1.74 1.77 0.88 0.85 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 0.00 133 Q 7.78 3.93 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 134 Q 7.74 3.92 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 135 Y 7.59 4.63 0.00 3.21 3.27 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 0.00 136 I 7.75 3.76 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.93 0.00 0.00 137 K 8.21 4.12 0.00 2.02 2.12 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.62 7.81 138 N 8.29 4.40 0.00 3.14 3.01 0.00 0.00 7.12 8.13 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 0.00 139 F 8.58 4.04 0.00 3.33 3.26 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 0.00 140 E 8.89 4.08 0.00 2.28 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 2.40 2.54 0.00 141 R 8.15 3.99 0.00 1.87 1.86 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 142 E 8.39 4.41 0.00 1.86 1.97 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 2.44 2.39 0.00 143 K 7.90 3.86 0.00 1.94 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.26 7.81 144 I 7.75 3.99 2.12 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 1.41 0.65 1.03 0.00 0.00 145 S 9.11 5.02 0.00 4.10 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 0.00 146 G 8.71 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 0.00 147 D 7.92 4.26 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 0.00 148 Q 7.96 4.11 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 149 L 8.05 4.01 0.00 1.89 1.70 1.13 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.59 3.91 0.00 1.71 1.66 0.67 0.41 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 0.00 151 R 7.12 4.39 0.00 1.93 1.94 0.00 3.25 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 152 I 7.51 4.46 2.12 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 1.03 1.71 1.02 0.00 0.00 153 T 8.20 4.71 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 1.25 0.00 0.00 154 H 8.67 4.12 0.00 3.24 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 8.05 3.95 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 156 E 8.18 3.95 0.00 2.18 1.92 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 2.30 2.33 0.00 157 L 8.00 3.90 0.00 1.86 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.19 4.18 0.00 2.13 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 2.34 2.56 0.00 159 D 7.99 4.44 0.00 2.78 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 0.00 160 L 7.44 4.41 0.00 1.63 1.54 0.13 0.71 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 0.00 161 G 8.13 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 0.00 162 V 7.84 3.72 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 0.59 0.00 0.00 0.50 0.00 0.00 163 S 8.20 4.42 0.00 4.03 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 0.00 164 R 7.86 4.10 0.00 1.74 1.81 0.00 3.05 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 165 I 8.53 3.89 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 1.75 0.62 0.93 0.00 0.00 166 G 8.11 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 0.00 0.00 0.00 167 H 8.15 4.41 0.00 3.38 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.09 3.96 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 169 E 8.40 4.02 0.00 2.17 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 0.00 2.58 2.53 0.00 170 L 7.92 4.04 0.00 1.91 1.71 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 171 I 7.75 3.73 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 1.11 0.00 0.00 172 L 8.29 4.01 0.00 1.66 1.72 0.61 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.71 3.93 0.00 2.08 2.18 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 2.35 2.38 0.00 174 A 8.08 4.16 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.39 3.54 2.15 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 1.09 0.00 0.00 1.14 0.00 0.00 176 D 8.42 4.38 0.00 3.00 2.73 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 0.00 177 L 8.06 4.03 0.00 1.98 1.79 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.21 3.92 0.00 1.86 1.64 0.70 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 179 C 8.44 3.84 0.00 3.04 3.08 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 0.00 180 A 7.99 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.84 3.87 0.00 2.00 1.69 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 182 N 7.91 3.97 0.00 2.31 2.33 0.00 0.00 7.26 7.37 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 0.00 183 Y 7.48 4.67 0.00 3.02 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 0.00 184 G 7.84 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 0.00 185 L 8.45 4.19 0.00 1.64 1.62 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.