NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 D 4.6287 8.3649 120.1913 53.8968 42.2692 175.4845 32 V 3.6318 8.5976 120.4721 61.8705 31.7153 175.3351 33 I 4.3481 7.9633 112.1664 60.8617 38.8769 174.4175 34 D 4.3770 8.2027 116.8449 55.9046 39.7521 174.8582 35 L 4.0237 10.7591 121.4910 57.8018 42.3695 176.9275 36 F 4.0345 8.4094 120.5129 61.7726 39.1298 176.9242 37 N 4.4384 8.5709 115.1990 56.1143 38.4144 177.2096 38 K 3.9355 7.8069 119.4156 59.8573 32.1929 179.3830 39 L 4.1778 8.5486 119.4793 57.6262 41.5424 180.0172 40 G 3.3487 7.9855 105.9286 47.6676 0.0000 176.0767 41 V 3.6191 8.0102 121.0867 65.5083 31.5915 177.8744 42 F 4.1130 8.4751 120.6538 61.4584 39.1936 176.8852 43 Q 3.8746 8.8027 119.2900 59.0571 28.5465 178.1434 44 A 3.9435 7.8269 121.0034 54.7506 18.4477 179.1366 45 A 4.0404 7.6513 118.4677 55.3745 18.7150 179.5192 46 I 3.8082 7.2856 118.0887 64.4521 37.2474 179.8959 47 L 4.2097 7.9117 117.2483 55.2498 41.1031 178.9395 *49 F 4.4548 8.0005 122.0508 58.2373 41.2621 175.7837 50 A 3.9695 8.8060 123.9737 55.4776 18.2894 180.1560 51 Y 4.4913 7.7340 113.1438 57.5443 37.8565 177.4525 *53 Y 4.2299 8.0965 122.3027 58.5720 40.5123 176.3317 54 Q 3.7453 8.0013 119.9069 59.2806 28.6487 178.6695 55 A 3.9162 7.7925 120.7344 55.1590 18.5992 179.3614 56 Q 3.9164 7.8066 116.0104 59.2516 28.6865 178.6706 57 S 3.7817 7.3049 113.6289 60.7605 63.2890 175.6713 58 D 4.7459 7.5834 121.5915 50.0422 38.2151 176.6092 59 L 4.9456 6.6580 126.3833 56.6500 43.8383 173.4401 *148 N 4.7185 8.1172 120.5710 53.5164 40.8045 175.9671 149 L 4.0533 7.7487 118.9107 58.0832 42.2019 178.8029 150 T 3.8464 7.8313 115.4148 66.8456 68.4632 176.2117 151 T 3.8431 7.8379 117.0006 67.1227 68.6319 176.1394 152 T 3.8568 7.9063 117.2983 67.1286 68.4698 176.7458 153 V 3.6584 8.0971 119.8716 65.8157 31.4991 177.8766 154 N 4.3857 8.2058 116.4545 56.1498 38.4345 177.1192 155 N 4.3511 8.7160 118.2157 56.5422 38.5570 177.6643 156 S 4.1105 7.9721 116.0234 61.5990 63.0303 176.5158 157 Q 3.9553 7.8841 122.0883 59.0614 28.6467 178.4108 158 L 4.0315 7.9872 120.1876 57.7334 41.4513 179.1913 159 E 3.9779 8.1241 117.7002 59.5778 29.4776 179.2074 160 I 3.8893 7.8395 118.9977 64.3294 37.4120 178.3106 161 Q 4.2010 7.9185 118.6530 58.8096 28.5253 179.1066 162 Q 3.9077 8.1338 118.0240 56.6679 28.8733 177.7003 *164 S 4.3345 7.9907 113.6979 57.9579 64.3784 175.4084 165 N 4.3221 8.1104 117.4269 56.5919 38.2096 177.1440 166 T 3.8038 8.2642 117.5339 66.8841 68.5688 175.9420 167 L 3.9001 7.9452 121.1728 58.3255 42.0201 178.6864 168 N 4.2758 8.0647 116.1510 56.3409 38.5413 177.2165 169 L 3.9229 8.3002 122.1129 58.0094 42.2645 178.7549 170 L 3.8217 8.3997 120.7169 58.3211 41.9476 179.0355 171 T 3.9986 8.3137 116.1106 66.0688 68.3964 176.9936 172 S 4.0145 8.0927 115.2481 61.2486 62.2248 175.9301 173 A 4.0044 7.6922 122.2511 55.2080 18.1869 179.2290 174 R 4.0103 7.5674 115.6562 59.7067 30.3861 178.5617 175 S 4.3133 8.2419 115.0034 61.5402 62.7036 177.3889 176 D 4.6028 7.9658 119.4681 54.7734 40.5509 178.5312 *178 Q 4.2617 8.0574 120.1778 56.2320 30.9192 177.8799 179 S 4.2110 8.2523 114.0409 61.3974 62.6598 176.2989 180 L 3.9331 8.1331 123.1921 58.3995 41.7323 178.8929 181 Q 3.9814 8.0754 117.1300 59.2178 28.7434 178.3278 182 Y 4.0271 8.5409 120.4352 60.9677 38.8123 178.3847 183 R 3.9029 8.8083 119.2379 59.5112 30.0973 179.0853 184 T 3.8114 8.2497 115.8255 66.8241 68.2950 176.5972 185 I 3.6219 7.7098 120.7958 64.4256 37.4516 178.1800 186 S 4.1085 8.3252 114.3479 61.3614 61.7327 176.5643 187 G 3.6206 8.2797 108.6581 48.5200 0.0000 175.3334 188 I 4.0386 7.8579 120.5572 62.5385 37.2220 176.7255 189 S 4.6737 7.9394 112.9788 56.5748 63.3256 174.1142 190 L 4.2355 7.3614 126.6812 57.0054 40.9979 173.4040 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 31 D 8.36 4.63 0.00 2.68 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 32 V 8.60 3.63 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 33 I 7.96 4.35 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 1.31 0.65 0.91 0.00 0.00 34 D 8.20 4.38 0.00 2.88 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 35 L 10.76 4.02 0.00 2.18 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.41 4.03 0.00 3.14 3.03 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 37 N 8.57 4.44 0.00 3.22 2.93 0.00 0.00 7.02 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.81 3.94 0.00 2.05 1.87 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 39 L 8.55 4.18 0.00 1.73 1.72 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.99 3.35 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 0.00 41 V 8.01 3.62 2.20 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 1.03 0.00 0.00 0.96 0.00 0.00 42 F 8.48 4.11 0.00 3.17 3.20 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 43 Q 8.80 3.87 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 44 A 7.83 3.94 1.37 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 0.00 0.00 0.00 45 A 7.65 4.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.29 3.81 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.70 0.90 0.00 0.00 47 L 7.91 4.21 0.00 1.87 1.74 0.94 1.20 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 *49 F 8.00 4.45 0.00 2.97 3.31 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 0.00 0.00 0.00 0.00 50 A 8.81 3.97 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 51 Y 7.73 4.49 0.00 3.10 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 *53 Y 8.10 4.23 0.00 2.08 2.65 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 0.00 0.00 0.00 0.00 54 Q 8.00 3.75 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 55 A 7.79 3.92 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 56 Q 7.81 3.92 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 57 S 7.30 3.78 0.00 2.80 3.65 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 0.00 0.00 0.00 0.00 58 D 7.58 4.75 0.00 2.76 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 59 L 6.66 4.95 0.00 1.77 1.71 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 *148 N 8.12 4.72 0.00 2.80 2.89 0.00 0.00 6.86 6.66 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 0.00 149 L 7.75 4.05 0.00 1.75 1.64 0.92 0.85 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 0.00 150 T 7.83 3.85 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 1.26 0.00 0.00 151 T 7.84 3.84 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 152 T 7.91 3.86 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 153 V 8.10 3.66 2.20 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 1.03 0.00 0.00 0.96 0.00 0.00 154 N 8.21 4.39 0.00 2.97 2.84 0.00 0.00 6.94 6.27 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 0.00 155 N 8.72 4.35 0.00 2.67 2.86 0.00 0.00 7.05 7.43 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 0.00 156 S 7.97 4.11 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 7.88 3.96 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 158 L 7.99 4.03 0.00 2.07 1.70 0.93 0.69 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 0.00 159 E 8.12 3.98 0.00 2.07 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 2.35 2.60 0.00 160 I 7.84 3.89 2.05 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 1.54 0.73 0.92 0.00 0.00 161 Q 7.92 4.20 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 162 Q 8.13 3.91 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.39 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 *164 S 7.99 4.33 0.00 4.08 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 0.00 165 N 8.11 4.32 0.00 2.98 2.85 0.00 0.00 7.09 7.06 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 0.00 166 T 8.26 3.80 4.27 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 1.26 0.00 0.00 167 L 7.95 3.90 0.00 1.73 1.88 0.89 0.63 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 0.00 168 N 8.06 4.28 0.00 2.94 2.82 0.00 0.00 6.68 6.46 0.00 0.00 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 L 8.30 3.92 0.00 1.80 1.55 0.88 0.51 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 0.00 170 L 8.40 3.82 0.00 1.70 1.72 0.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 171 T 8.31 4.00 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 172 S 8.09 4.01 0.00 4.01 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 0.00 173 A 7.69 4.00 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 0.00 174 R 7.57 4.01 0.00 2.02 2.10 0.00 3.44 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 175 S 8.24 4.31 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 0.00 176 D 7.97 4.60 0.00 2.88 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 *178 Q 8.06 4.26 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 179 S 8.25 4.21 0.00 3.97 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 0.00 180 L 8.13 3.93 0.00 1.84 1.61 0.79 1.06 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 0.00 181 Q 8.08 3.98 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 182 Y 8.54 4.03 0.00 2.92 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 0.00 183 R 8.81 3.90 0.00 1.94 1.97 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 184 T 8.25 3.81 4.36 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 1.19 0.00 0.00 185 I 7.71 3.62 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 1.38 0.51 0.83 0.00 0.00 186 S 8.33 4.11 0.00 3.21 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 0.00 187 G 8.28 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 I 7.86 4.04 1.83 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 1.55 0.79 0.89 0.00 0.00 189 S 7.94 4.67 0.00 3.93 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 0.00 190 L 7.36 4.24 0.00 1.92 1.80 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.