NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.2839 8.4444 118.8049 56.2476 31.7168 175.9420 15 Y 3.9933 8.0247 120.7907 55.9017 39.1761 172.9622 16 K 4.0455 7.9236 129.7375 54.5184 35.3543 174.7464 *20 A 4.3687 8.2485 121.8106 52.1985 20.3501 179.3018 21 R 3.7051 7.7019 114.4370 59.2133 30.1203 179.1754 22 V 3.3001 7.4967 117.4126 65.8434 31.3158 177.7528 23 A 4.2295 7.3571 118.5037 54.3077 18.2882 178.5568 24 A 4.2198 7.3565 117.4087 52.2640 19.1804 177.7263 25 L 4.1624 6.9245 117.2835 53.1669 42.6842 175.8176 26 P 4.4368 0.0000 0.0000 62.7443 33.2296 177.2228 27 E 4.0061 8.8922 120.7741 59.5616 29.6151 179.0338 28 D 4.3656 8.1403 118.6861 56.8109 39.3266 178.1526 29 Y 3.7818 8.0508 117.8149 60.5868 37.9470 178.1633 30 Q 4.2640 8.5522 119.1937 59.1166 28.8864 178.7075 31 F 4.1957 8.5735 121.6578 61.3621 39.3746 177.3730 32 V 3.6374 8.0322 117.5009 65.7017 31.3893 177.5662 33 F 4.1092 8.9618 120.9296 61.6544 39.2135 177.4190 34 K 4.5897 8.3489 119.2447 58.7824 31.8413 179.3383 35 K 3.8935 7.9488 120.0852 59.4272 31.8247 179.0329 36 I 3.7703 7.7491 119.3968 64.4207 37.1822 178.0549 37 Q 4.0171 8.0978 118.9235 58.8964 28.5422 178.3756 38 N 4.4991 8.4525 118.1242 56.7817 38.9142 176.9615 39 Y 4.3590 8.0063 117.8796 58.3834 38.6562 177.6186 *41 W 4.9214 7.9492 119.6695 55.7659 31.1982 175.9853 42 N 4.3939 7.7734 113.4711 53.9418 38.9803 175.7774 43 F 4.8693 7.8929 113.5550 56.6697 39.9832 174.5867 44 S 4.7393 7.6623 114.3295 56.5402 65.4600 173.2201 45 A 4.5030 8.3959 122.1699 51.8850 18.6482 177.7389 46 G 3.5556 7.8272 108.4115 46.6393 0.0000 174.3249 47 N 4.7176 8.7903 122.2742 51.1634 39.3552 176.7792 48 G 3.6178 8.3279 104.6719 46.4584 0.0000 173.9059 *50 D 4.4139 8.1525 117.3145 53.8734 42.7579 177.2748 *52 L 4.2932 7.8269 120.9582 55.2835 43.7990 178.9158 53 H 4.4066 7.9959 115.0824 58.9396 28.5436 177.7833 54 I 3.6358 8.1314 121.9688 64.5235 36.9386 178.5167 55 Q 3.8826 7.9452 118.3201 59.2240 28.4438 178.3573 56 Y 4.1482 8.1089 117.7458 60.9955 37.8226 178.5679 57 E 4.0184 8.2230 119.6079 59.3414 29.5581 179.0568 58 L 3.7351 8.5450 120.8404 58.0924 41.9861 178.8836 59 I 3.8109 8.1381 118.6762 63.9332 38.0121 177.6552 60 D 4.3967 8.0275 119.9362 57.2985 40.6932 178.6834 61 L 4.1445 8.1528 119.4356 58.0733 41.6361 179.7333 62 F 4.6172 8.7832 117.9880 60.7355 38.9307 177.7453 63 E 3.8722 8.7038 118.3273 59.1111 29.2863 179.3500 64 A 4.0919 8.0991 120.6978 54.9829 18.4343 179.9167 65 G 3.6753 8.5448 105.3636 47.4437 0.0000 175.6597 66 A 3.7560 7.7965 123.9411 54.7121 18.0815 179.5815 67 A 3.9392 7.7345 117.9605 55.2028 18.5037 179.1929 68 E 4.1600 8.0528 115.2553 56.8098 29.6055 177.4669 69 G 3.8622 7.8103 106.8999 46.4153 0.0000 173.7344 70 R 4.4318 7.9594 118.9423 54.5837 31.5481 175.9662 71 Q 4.1793 8.3215 122.1711 55.2441 29.8047 177.5410 72 V 2.7014 8.0537 122.3777 64.8729 30.9473 178.4755 73 L 4.1560 7.4029 119.1702 55.9322 41.3059 178.6826 74 D 4.3274 7.7706 118.9380 57.1894 40.7519 178.2452 75 I 3.9823 7.4126 119.5580 64.0165 37.6221 177.9419 76 T 2.8584 7.5198 109.7887 60.8169 68.9042 175.7418 77 G 3.9813 7.4137 109.2785 45.3816 0.0000 174.0198 78 E 3.9709 8.6592 114.9340 58.8143 29.8432 178.2777 79 D 4.6393 7.7874 121.3689 53.2439 40.3536 176.4264 80 V 3.6666 8.0738 125.7430 65.3630 31.7988 177.1988 81 A 3.5119 7.8968 120.2763 54.8546 18.1980 179.2853 82 S 3.9226 8.7494 112.1061 61.3472 62.4665 176.0062 83 F 4.1503 8.2903 123.1032 61.4822 39.1524 176.9231 84 A 3.7265 8.2754 120.5863 55.0027 18.0950 179.1134 85 D 4.3328 8.0515 116.8731 57.6375 41.3493 178.3846 86 E 3.9299 8.3099 119.3033 59.0849 29.2961 179.1244 87 L 3.7181 7.9390 119.5270 57.8467 41.5029 179.8455 88 V 3.4703 7.6765 117.5840 65.9519 31.2742 177.6979 89 A 3.9683 7.6344 119.2106 55.3823 17.9839 178.9053 90 N 4.4606 8.1542 114.0960 55.4765 38.7815 177.4403 91 A 3.8084 8.1578 123.0297 55.2648 18.1992 179.8255 92 K 4.2235 7.7243 115.9847 58.7117 32.1851 178.6135 93 T 4.3494 7.3469 109.7328 61.4268 69.2965 174.9148 *94 Y 3.8022 8.0301 126.2371 57.5513 37.5151 174.2796 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 14 E 8.44 4.28 0.00 2.13 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 2.22 2.40 0.00 15 Y 8.02 3.99 0.00 3.06 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 16 K 7.92 4.05 0.00 1.56 1.46 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.29 7.81 *20 A 8.25 4.37 1.26 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 0.00 0.00 21 R 7.70 3.71 0.00 1.72 2.04 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 22 V 7.50 3.30 1.80 0.00 0.00 0.00 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 -0.12 0.00 0.00 23 A 7.36 4.23 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.36 4.22 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 6.92 4.16 0.00 1.80 1.61 1.04 0.92 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 26 P 0.00 4.44 0.00 2.60 2.07 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 27 E 8.89 4.01 0.00 2.16 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 0.00 2.38 1.95 0.00 28 D 8.14 4.37 0.00 2.79 2.85 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 29 Y 8.05 3.78 0.00 3.28 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.55 4.26 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 31 F 8.57 4.20 0.00 3.26 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 32 V 8.03 3.64 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 1.12 0.00 0.00 1.08 0.00 0.00 33 F 8.96 4.11 0.00 3.63 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 34 K 8.35 4.59 0.00 1.95 1.90 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.17 7.81 35 K 7.95 3.89 0.00 1.55 1.86 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 36 I 7.75 3.77 1.85 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.85 0.73 0.00 0.00 37 Q 8.10 4.02 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 38 N 8.45 4.50 0.00 2.91 3.06 0.00 0.00 6.87 7.08 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 39 Y 8.01 4.36 0.00 3.29 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 *41 W 7.95 4.92 0.00 3.39 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 42 N 7.77 4.39 0.00 1.94 1.42 0.00 0.00 6.83 8.30 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 43 F 7.89 4.87 0.00 1.83 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.66 4.74 0.00 3.94 3.79 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 0.00 0.00 0.00 0.00 45 A 8.40 4.50 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 46 G 7.83 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 0.00 0.00 0.00 47 N 8.79 4.72 0.00 2.79 2.84 0.00 0.00 6.95 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 48 G 8.33 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 *50 D 8.15 4.41 0.00 2.84 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 *52 L 7.83 4.29 0.00 1.73 1.96 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.00 4.41 0.00 3.33 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.13 3.64 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.69 0.00 0.00 55 Q 7.95 3.88 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 56 Y 8.11 4.15 0.00 3.20 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 57 E 8.22 4.02 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 58 L 8.54 3.74 0.00 1.65 1.49 0.69 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.14 3.81 2.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 1.04 0.00 0.00 60 D 8.03 4.40 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.15 4.14 0.00 2.07 2.10 1.13 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.78 4.62 0.00 3.30 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 63 E 8.70 3.87 0.00 2.08 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 0.00 2.28 2.46 0.00 64 A 8.10 4.09 1.46 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 0.00 0.00 65 G 8.54 3.68 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 0.00 0.00 0.00 66 A 7.80 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.73 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 68 E 8.05 4.16 0.00 2.29 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 2.35 2.33 0.00 69 G 7.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.96 4.43 0.00 1.81 2.06 0.00 3.30 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 71 Q 8.32 4.18 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 72 V 8.05 2.70 0.67 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 0.46 0.00 0.00 -0.03 0.00 0.00 73 L 7.40 4.16 0.00 1.60 1.65 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.77 4.33 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 75 I 7.41 3.98 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.49 1.04 0.00 0.00 76 T 7.52 2.86 3.68 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 0.98 0.00 0.00 77 G 7.41 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 0.00 0.00 0.00 78 E 8.66 3.97 0.00 2.00 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 2.23 1.88 0.00 79 D 7.79 4.64 0.00 2.70 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 80 V 8.07 3.67 2.10 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 1.03 0.00 0.00 0.97 0.00 0.00 81 A 7.90 3.51 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 82 S 8.75 3.92 0.00 3.92 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 0.00 83 F 8.29 4.15 0.00 3.21 3.25 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 84 A 8.28 3.73 1.06 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 0.00 0.00 85 D 8.05 4.33 0.00 2.75 2.75 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 86 E 8.31 3.93 0.00 2.01 1.91 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 2.46 2.49 0.00 87 L 7.94 3.72 0.00 1.55 1.48 0.48 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.68 3.47 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 0.97 0.00 0.00 0.97 0.00 0.00 89 A 7.63 3.97 1.35 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 90 N 8.15 4.46 0.00 2.80 2.82 0.00 0.00 6.87 7.40 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 91 A 8.16 3.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.72 4.22 0.00 1.70 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.64 7.81 93 T 7.35 4.35 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 1.20 0.00 0.00 *94 Y 8.03 3.80 0.00 2.48 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.