NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2943 8.1727 120.1335 56.4385 34.4964 177.5639 76 E 3.6486 8.0390 119.0281 58.6694 29.6374 176.8983 77 N 4.3728 8.8747 117.3941 56.1801 39.0965 176.6209 78 E 4.0455 8.1090 119.5865 59.0620 29.6861 179.1884 79 I 3.7824 7.3242 119.9946 64.2680 37.1926 178.3996 80 L 4.0523 7.7170 120.0382 57.7610 41.3971 179.7912 81 R 3.9699 8.1949 118.1908 59.2493 29.9271 179.2981 82 R 4.1193 8.1391 117.9908 59.0785 29.7839 178.7728 83 E 3.8936 7.8247 117.9680 59.1055 29.7493 178.3210 84 L 4.0858 7.7760 119.2239 58.1308 42.2437 178.1544 85 D 4.5958 8.2163 118.1046 57.4634 40.6089 181.0822 86 R 4.0224 8.0126 117.7812 56.3103 30.0982 178.4964 *88 R 4.3182 7.9404 116.6916 55.5468 32.0707 176.5740 89 V 3.8065 7.2808 111.7516 60.1496 32.0899 174.4799 90 P 4.3766 0.0000 0.0000 61.9722 31.7812 174.4521 91 P 4.5730 0.0000 0.0000 62.5844 32.3359 175.0288 92 L 4.9327 8.0142 117.9055 52.9252 44.5148 176.4692 93 I 4.1065 8.3982 123.6465 60.9567 38.7885 174.9731 94 V 4.6386 8.3969 126.2484 61.7748 33.6239 174.8920 95 G 4.3259 8.9754 113.4439 45.3686 0.0000 170.6559 96 T 5.1641 8.4846 115.1635 61.2693 72.2715 174.3544 97 V 3.8432 8.9621 126.9479 63.5785 32.1384 176.1388 98 V 3.9000 8.8988 128.5618 64.1382 32.4643 175.3899 99 D 4.5301 7.4369 116.1086 53.3874 44.3188 174.7995 100 K 4.5533 8.8366 124.5736 56.3513 32.8527 177.0516 101 V 4.2708 8.6344 122.0398 63.0796 33.6247 174.9205 102 G 4.1384 7.5185 105.5428 44.3654 0.0000 171.2754 103 E 4.1481 9.0269 117.7430 59.2292 29.9072 178.7248 104 R 4.8212 7.7420 116.9565 55.8892 31.2757 175.2412 105 K 5.1274 8.0844 116.6600 54.9319 36.5153 176.4976 106 V 4.8564 8.6176 115.8115 59.9983 36.9220 173.7815 107 V 4.7414 8.9238 123.8634 61.7501 33.1920 175.1354 108 V 4.8598 8.8682 120.7317 59.4344 35.8754 174.7407 109 K 4.6416 9.2344 126.4737 54.9500 33.1417 175.7666 110 S 4.8200 8.8382 123.5890 58.1189 63.2207 175.2927 111 S 4.3690 8.3313 118.4495 60.5702 63.1138 175.5776 112 T 3.9535 7.8752 111.1181 62.7727 68.1333 173.0541 113 G 3.6853 6.9285 114.4379 45.1635 0.0000 173.8039 114 P 4.4676 0.0000 0.0000 61.5678 32.8546 174.9030 115 S 5.2778 7.9293 113.8188 57.0876 64.8587 174.0374 116 F 4.9378 9.2117 120.6576 55.7402 43.6402 173.2838 117 L 4.9893 8.6539 123.0936 53.9806 43.2209 175.8495 118 V 4.6692 8.8382 118.7615 59.4803 36.6082 174.7634 119 N 5.0285 8.5853 118.9314 53.1216 40.3475 174.2399 120 V 4.6009 7.7870 120.3164 60.7143 33.5428 175.7079 121 S 4.1439 8.6511 123.4650 58.3956 63.3147 175.3302 122 H 4.2049 8.7465 117.3345 58.4580 28.2859 176.0832 123 F 4.5402 6.9913 112.4134 56.8024 38.2174 174.9659 124 V 4.1871 7.1406 121.8991 61.1734 32.9362 174.6931 125 N 4.6047 8.5700 125.8993 51.8592 38.6330 173.4976 126 P 4.4736 0.0000 0.0000 65.6909 31.2903 178.2099 127 D 4.3450 8.5354 118.5060 56.9556 40.7103 176.8050 128 D 4.5186 8.4208 117.2927 54.5539 41.1136 176.1912 129 L 4.3922 7.8219 120.6386 53.2970 41.7581 175.8408 130 A 4.7692 8.1116 126.3275 48.8166 22.1397 173.1622 131 P 4.5174 0.0000 0.0000 64.7518 31.3679 176.0826 132 G 4.0442 9.1104 111.4851 45.0631 0.0000 173.9203 133 K 4.1557 8.2673 121.7292 56.5692 33.5698 176.2262 134 R 4.9203 8.5276 125.0676 55.6328 32.0088 175.7473 135 V 4.9499 8.8101 115.1761 59.8866 36.6172 173.9717 136 C 5.1367 9.0598 119.9994 58.1818 30.6013 173.0592 137 L 5.1565 9.0115 123.8497 52.5066 44.5652 175.6335 138 N 4.6616 8.8548 122.2088 53.7574 39.6199 175.7522 139 Q 3.9789 8.9081 124.7874 59.4161 29.2106 178.4343 140 Q 4.0814 8.5760 115.8755 58.8705 28.8378 177.4068 141 T 4.1504 7.9662 104.2168 60.9690 69.6491 174.9548 142 L 3.6766 7.9235 120.5681 55.6215 40.0072 174.4568 143 T 4.0659 7.5604 116.5291 63.5833 69.6163 173.8229 144 V 4.0778 8.7021 126.7569 63.4123 32.1357 176.3965 145 V 4.2830 8.2462 120.2858 60.1760 33.0465 175.1645 146 D 4.5593 7.5612 118.0329 53.3744 44.5962 174.2384 147 V 4.6622 8.3054 123.8460 60.7169 33.3410 175.1936 148 L 4.2470 8.5286 129.1050 54.2015 42.3218 175.8925 149 P 4.4060 0.0000 0.0000 63.0822 31.5546 176.0366 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 75 K 8.17 4.29 0.00 1.83 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 76 E 8.04 3.65 0.00 2.16 1.93 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 2.37 2.52 0.00 77 N 8.87 4.37 0.00 2.85 2.85 0.00 0.00 7.16 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 78 E 8.11 4.05 0.00 1.97 1.99 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 0.00 2.39 2.34 0.00 79 I 7.32 3.78 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 1.52 1.16 0.91 0.00 0.00 80 L 7.72 4.05 0.00 1.79 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.19 3.97 0.00 1.86 1.97 0.00 3.38 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 82 R 8.14 4.12 0.00 1.86 1.97 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 83 E 7.82 3.89 0.00 2.05 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 0.00 2.32 2.35 0.00 84 L 7.78 4.09 0.00 1.81 1.82 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.22 4.60 0.00 2.82 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 86 R 8.01 4.02 0.00 1.99 1.94 0.00 3.15 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 1.64 1.93 0.00 *88 R 7.94 4.32 0.00 1.82 2.02 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 89 V 7.28 3.81 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 0.74 0.00 0.00 0.96 0.00 0.00 90 P 0.00 4.38 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 91 P 0.00 4.57 0.00 2.20 2.10 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 92 L 8.01 4.93 0.00 1.51 1.58 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.40 4.11 1.82 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 1.09 0.87 0.88 0.00 0.00 94 V 8.40 4.64 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 0.98 0.00 0.00 0.93 0.00 0.00 95 G 8.98 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.48 5.16 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 1.28 0.00 0.00 97 V 8.96 3.84 2.24 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 0.76 0.00 0.00 0.93 0.00 0.00 98 V 8.90 3.90 2.23 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 0.78 0.00 0.00 1.00 0.00 0.00 99 D 7.44 4.53 0.00 2.78 2.42 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 0.00 100 K 8.84 4.55 0.00 1.79 1.72 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 101 V 8.63 4.27 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 0.78 0.00 0.00 0.93 0.00 0.00 102 G 7.52 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 0.00 103 E 9.03 4.15 0.00 1.96 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 2.31 2.33 0.00 104 R 7.74 4.82 0.00 1.69 1.82 0.00 3.05 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 105 K 8.08 5.13 0.00 1.71 1.64 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.38 7.81 106 V 8.62 4.86 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 0.67 0.00 0.00 0.93 0.00 0.00 107 V 8.92 4.74 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 0.97 0.00 0.00 0.94 0.00 0.00 108 V 8.87 4.86 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 0.65 0.00 0.00 1.00 0.00 0.00 109 K 9.23 4.64 0.00 1.80 1.73 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 110 S 8.84 4.82 0.00 4.12 4.11 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 0.00 111 S 8.33 4.37 0.00 4.09 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 0.00 112 T 7.88 3.95 4.31 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 1.22 0.00 0.00 113 G 6.93 3.69 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 0.00 0.00 0.00 114 P 0.00 4.47 0.00 1.68 2.04 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 115 S 7.93 5.28 0.00 3.67 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 0.00 116 F 9.21 4.94 0.00 2.90 2.89 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 0.00 117 L 8.65 4.99 0.00 1.66 1.61 0.97 0.89 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 0.00 118 V 8.84 4.67 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 0.73 0.00 0.00 1.01 0.00 0.00 119 N 8.59 5.03 0.00 2.61 2.69 0.00 0.00 6.23 7.68 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 0.00 120 V 7.79 4.60 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 0.71 0.00 0.00 0.91 0.00 0.00 121 S 8.65 4.14 0.00 2.89 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.75 4.20 0.00 3.29 3.45 0.00 5.52 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 6.99 4.54 0.00 3.04 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 0.00 124 V 7.14 4.19 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 0.74 0.00 0.00 0.91 0.00 0.00 125 N 8.57 4.60 0.00 2.78 2.93 0.00 0.00 6.94 7.71 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 0.00 126 P 0.00 4.47 0.00 2.24 2.30 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 127 D 8.54 4.35 0.00 2.88 2.78 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 0.00 128 D 8.42 4.52 0.00 2.70 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 0.00 129 L 7.82 4.39 0.00 1.80 1.63 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.11 4.77 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 0.00 131 P 0.00 4.52 0.00 2.19 2.30 0.00 3.73 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 2.00 1.99 0.00 132 G 9.11 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 0.00 133 K 8.27 4.16 0.00 2.13 1.69 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.59 1.47 7.81 134 R 8.53 4.92 0.00 1.81 1.82 0.00 3.12 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 135 V 8.81 4.95 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 0.72 0.00 0.00 0.93 0.00 0.00 136 C 9.06 5.14 0.00 2.84 2.83 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 0.00 0.00 0.00 0.00 137 L 9.01 5.16 0.00 1.46 1.48 0.86 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.85 4.66 0.00 2.77 2.65 0.00 0.00 7.02 6.60 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 0.00 139 Q 8.91 3.98 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 140 Q 8.58 4.08 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 141 T 7.97 4.15 4.21 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 1.19 0.00 0.00 142 L 7.92 3.68 0.00 1.63 1.55 -0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.56 4.07 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 1.15 0.00 0.00 144 V 8.70 4.08 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 0.98 0.00 0.00 0.90 0.00 0.00 145 V 8.25 4.28 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 0.91 0.00 0.00 1.03 0.00 0.00 146 D 7.56 4.56 0.00 2.73 2.46 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 0.00 0.00 0.00 0.00 147 V 8.31 4.66 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 0.92 0.00 0.00 0.93 0.00 0.00 148 L 8.53 4.25 0.00 1.71 1.60 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.41 0.00 2.18 2.03 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.