NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3588 0.0000 0.0000 62.4262 32.5798 175.6888 3 K 3.8769 8.4340 120.5800 54.8849 32.1133 174.3676 4 M 4.0555 9.4824 125.1086 55.9580 33.6062 175.1571 5 K 4.5549 8.3239 124.4905 55.0550 34.0436 176.3836 6 T 4.2692 8.1149 111.9697 61.3495 69.9959 175.1352 7 H 4.3474 8.8319 123.9728 55.4206 29.6624 175.9506 8 K 3.9829 8.5680 128.8866 59.5686 31.8172 178.8606 9 G 3.9076 8.0594 103.8086 47.9335 0.0000 174.6970 10 A 4.3017 8.0255 121.7295 54.3866 19.0024 179.1217 11 K 3.9010 7.9858 117.0730 59.2728 32.1691 177.9789 12 K 4.4921 7.7857 116.4402 56.1349 32.3094 177.0693 13 R 4.6491 8.2571 113.4823 55.3689 31.2551 174.9442 14 V 4.7268 7.4940 117.2279 61.3608 35.2037 173.8696 15 K 4.5829 8.7917 126.5035 54.5468 35.1395 174.9030 16 I 4.3468 8.4794 128.3740 62.2615 38.8001 172.7847 17 T 3.9226 9.4919 121.2587 62.8763 66.9842 174.7595 18 A 4.7044 9.1090 120.1401 52.3732 25.7601 178.4844 19 S 4.4397 7.8548 108.3086 57.7767 63.9575 174.7081 20 G 4.0499 8.3871 107.5629 44.9983 0.0000 174.2023 21 K 4.2291 7.9914 120.0991 56.4100 33.5665 175.9597 22 V 4.6283 8.3166 122.5481 61.4733 33.5605 174.5340 23 V 4.8635 8.8717 127.7408 61.3036 34.5763 174.0487 24 A 4.8592 8.8027 127.3489 50.9379 23.3768 176.0046 25 M 4.2122 8.2524 117.9838 54.6014 33.6336 175.4010 26 K 4.4978 8.2660 118.5371 55.0062 34.8244 175.8899 27 T 3.9790 8.3549 114.6193 62.6643 69.1596 173.4650 28 G 3.7761 8.6218 112.7435 45.8555 0.0000 174.7022 29 K 4.0050 7.6510 120.6787 56.8548 32.6057 174.4163 30 R 3.6153 8.4476 118.6978 57.8514 29.5536 176.4206 31 H 3.9999 9.3494 118.3452 58.6462 23.7483 178.5294 32 L 3.3461 6.8353 120.2866 53.2814 43.9560 177.1562 33 N 4.5464 8.4784 120.0082 53.7414 39.3501 174.9345 34 W 4.6357 7.9766 124.7390 57.8296 32.9736 176.1196 35 Q 3.9615 8.3036 113.6727 55.0517 24.5563 174.6265 36 K 4.0541 8.2221 124.8146 56.9065 31.5009 176.1254 37 S 4.3025 6.9328 117.4004 57.0413 64.4919 176.0092 38 G 5.0998 9.4737 119.1191 45.4756 0.0000 173.7153 39 K 4.0298 7.7641 119.8100 56.7419 31.7270 176.7304 40 E 4.1381 8.1514 119.0927 59.3383 29.8329 178.2954 41 I 3.2910 8.0413 111.4569 63.6912 37.4392 176.7762 42 R 3.9414 7.5033 119.2375 59.1277 30.4028 177.0676 43 Q 4.4344 8.3754 119.4133 54.6911 27.3851 177.3924 44 K 4.4449 7.3427 117.1829 54.3086 33.1853 176.3265 45 G 4.1369 7.7129 109.1617 44.4942 0.0000 170.6673 46 R 4.7111 8.4265 118.9590 56.0744 31.2587 176.4303 47 K 4.8383 9.2226 119.0778 54.9710 36.1086 175.8749 48 F 4.7341 9.4040 117.5412 57.5224 38.3873 174.3291 49 V 4.3893 8.0847 119.9226 60.9760 34.4831 174.3886 50 L 4.5633 8.3437 125.9642 54.3939 44.6086 176.3440 51 A 3.8306 8.5375 128.2848 50.7858 15.7738 175.7803 52 K 4.5425 7.1127 127.0398 54.6416 35.1045 174.1836 53 P 4.3494 0.0000 0.0000 65.3130 31.3057 177.6485 54 E 3.8953 8.2842 117.1965 59.7570 29.1105 178.8284 55 A 3.9804 8.0711 121.6977 54.3473 18.4937 178.5854 56 E 3.7962 7.9483 116.7529 59.8824 29.5745 179.8506 57 R 3.9628 9.7957 117.3256 59.2300 29.8353 179.1122 58 I 3.8101 7.7455 119.0295 63.5092 37.3847 177.5166 59 K 4.4277 7.9617 117.7625 55.9070 33.2552 176.3623 60 L 5.1543 7.2131 120.1760 53.0940 40.5384 175.5889 61 L 4.1403 7.2349 120.3627 55.9504 42.8570 178.6889 62 L 4.2361 8.3684 119.6388 57.9224 42.2301 178.1260 63 P 4.2883 0.0000 0.0000 63.9007 31.5931 177.0716 64 Y 3.1700 7.8932 118.6288 59.5316 37.5541 171.2769 *65 E 4.1515 8.6555 116.1769 57.2031 30.5285 171.8023 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 2 P 0.00 4.36 0.00 2.20 2.14 0.00 3.77 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 1.89 2.00 0.00 3 K 8.43 3.88 0.00 1.86 1.81 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 4 M 9.48 4.06 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 5 K 8.32 4.55 0.00 1.79 1.71 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.41 7.81 6 T 8.11 4.27 4.28 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 1.24 0.00 0.00 7 H 8.83 4.35 0.00 3.24 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.57 3.98 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.45 7.81 9 G 8.06 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 0.00 0.00 0.00 10 A 8.03 4.30 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 11 K 7.99 3.90 0.00 1.80 2.01 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.52 7.81 12 K 7.79 4.49 0.00 1.79 1.82 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.68 7.81 13 R 8.26 4.65 0.00 1.81 1.94 0.00 3.02 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 14 V 7.49 4.73 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 15 K 8.79 4.58 0.00 1.85 1.60 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.36 7.81 16 I 8.48 4.35 1.86 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 1.38 0.91 0.91 0.00 0.00 17 T 9.49 3.92 4.25 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 1.29 0.00 0.00 18 A 9.11 4.70 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 19 S 7.85 4.44 0.00 3.97 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 20 G 8.39 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.23 0.00 1.73 1.79 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.39 7.81 22 V 8.32 4.63 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 0.96 0.00 0.00 0.92 0.00 0.00 23 V 8.87 4.86 2.21 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 1.00 0.00 0.00 0.98 0.00 0.00 24 A 8.80 4.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.25 4.21 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 26 K 8.27 4.50 0.00 1.67 1.59 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.30 7.81 27 T 8.35 3.98 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 1.16 0.00 0.00 28 G 8.62 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 0.00 0.00 0.00 29 K 7.65 4.00 0.00 1.89 1.77 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.41 7.81 30 R 8.45 3.62 0.00 1.77 1.93 0.00 3.26 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 31 H 9.35 4.00 0.00 3.33 3.60 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 6.84 3.35 0.00 1.98 2.23 1.25 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.48 4.55 0.00 3.10 3.07 0.00 0.00 7.19 7.91 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 34 W 7.98 4.64 0.00 3.29 3.28 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 35 Q 8.30 3.96 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 36 K 8.22 4.05 0.00 1.47 1.63 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.32 7.81 37 S 6.93 4.30 0.00 4.13 3.80 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 0.00 0.00 0.00 0.00 38 G 9.47 5.10 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 0.00 0.00 0.00 39 K 7.76 4.03 0.00 1.99 1.97 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.39 7.81 40 E 8.15 4.14 0.00 2.13 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 41 I 8.04 3.29 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 1.28 0.00 0.00 42 R 7.50 3.94 0.00 1.86 2.11 0.00 3.26 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 43 Q 8.38 4.43 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 44 K 7.34 4.44 0.00 1.76 1.66 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.39 7.81 45 G 7.71 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 46 R 8.43 4.71 0.00 1.73 1.90 0.00 3.20 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 47 K 9.22 4.84 0.00 1.34 1.70 0.00 0.94 0.00 0.00 1.37 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 1.49 7.81 48 F 9.40 4.73 0.00 3.11 3.04 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 49 V 8.08 4.39 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 0.70 0.00 0.00 0.98 0.00 0.00 50 L 8.34 4.56 0.00 1.71 1.54 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.54 3.83 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 52 K 7.11 4.54 0.00 1.92 1.73 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.27 7.81 53 P 0.00 4.35 0.00 2.30 2.28 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 54 E 8.28 3.90 0.00 2.20 2.28 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 2.36 2.44 0.00 55 A 8.07 3.98 1.31 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 0.00 0.00 56 E 7.95 3.80 0.00 2.05 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 2.30 2.41 0.00 57 R 9.80 3.96 0.00 2.18 1.92 0.00 3.12 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 58 I 7.75 3.81 2.01 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 1.69 0.72 0.91 0.00 0.00 59 K 7.96 4.43 0.00 1.92 1.84 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.45 7.81 60 L 7.21 5.15 0.00 1.55 1.76 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.23 4.14 0.00 1.67 1.59 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.37 4.24 0.00 1.74 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.29 0.00 2.23 2.23 0.00 3.98 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 64 Y 7.89 3.17 0.00 2.97 2.98 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 *65 E 8.66 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.