NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2926 8.3149 120.1302 56.1719 33.6708 174.5945 6 E 4.5884 8.5264 122.6410 54.1029 32.7746 173.7689 7 L 5.1273 9.2365 124.2029 53.3812 45.7496 175.2124 8 V 5.0648 8.9025 112.7907 59.8014 36.4467 174.2988 9 L 5.1400 8.9941 125.8965 52.8410 44.7488 175.3738 10 A 4.3735 9.0647 128.6688 52.7023 18.6596 177.8025 11 L 4.1302 9.1042 122.9551 55.5957 43.0742 175.9641 12 Y 4.9583 7.6433 114.1294 56.1550 42.4656 174.4463 13 D 4.8075 8.9420 120.2042 54.8533 42.1028 175.7737 14 Y 4.6176 9.0634 122.4827 56.0443 42.2305 173.5822 15 Q 4.4929 8.0813 128.6838 54.4148 29.8600 174.7496 16 E 4.3244 8.5389 124.9435 57.4503 29.6538 177.5180 17 K 4.6453 9.6137 119.0707 55.8083 34.6457 175.8084 18 S 4.7984 7.6918 112.9253 55.7516 66.2172 173.1955 19 P 4.2875 0.0000 0.0000 65.2617 31.3584 177.8207 20 R 4.4112 7.6478 114.9490 56.2566 30.4166 175.5209 21 E 5.0632 7.6106 117.5396 55.4891 30.9022 176.0569 22 V 4.6028 8.2562 115.6864 59.8468 34.2115 176.0629 23 T 4.7217 8.6631 120.3902 64.0302 69.4447 173.7328 24 M 5.0390 8.9936 120.4318 54.0471 35.5064 173.6936 25 K 5.0335 9.6787 119.8370 54.1460 35.2175 176.0748 26 K 4.0919 10.1803 125.9805 58.2261 32.5082 177.3313 27 G 3.9979 8.8723 114.6434 44.7304 0.0000 173.4167 28 D 4.5353 7.8094 119.6599 55.0286 42.1883 175.6197 29 I 4.9227 8.3401 122.3269 59.6767 39.2428 174.9592 30 L 4.9340 8.8296 126.7597 52.9599 45.9084 176.0488 31 T 4.5584 8.1974 119.2917 63.0298 69.8820 173.8296 32 L 4.2781 8.9908 129.3732 55.4468 41.7446 176.3052 33 L 4.3029 8.2940 127.5086 56.7236 42.9790 177.2463 34 N 4.2410 7.3168 113.0074 52.7057 42.1105 175.1245 35 S 4.0570 8.3304 119.2368 57.8726 63.9259 175.0587 36 T 4.0241 7.8843 114.0386 64.5353 67.6867 174.5004 37 N 4.6617 8.1353 121.6871 52.4354 39.5677 175.4986 38 K 4.3883 8.8541 127.1001 59.3133 33.0482 177.2001 39 D 4.3711 8.0622 116.5552 55.4841 42.2130 176.8051 40 W 5.1609 9.3446 117.8852 54.5666 31.7262 175.3527 41 W 5.3599 9.6053 125.0298 54.8025 31.3765 175.1583 42 K 4.0168 9.1866 127.0693 56.3197 32.9691 176.1806 43 V 4.9944 9.5657 120.0162 59.8824 37.0332 173.9194 44 E 4.8076 9.0446 121.6607 55.1801 32.7740 173.8751 45 V 4.4234 8.3039 127.3720 61.2946 34.5576 174.8386 46 N 3.9312 8.9693 124.5770 55.1037 37.9182 174.5857 47 D 4.7598 8.9838 125.5701 54.9672 40.9876 175.4693 48 R 4.6248 8.0342 119.8885 54.4068 31.8704 175.2742 49 Q 4.7236 8.2132 120.6827 54.2709 31.6381 174.9950 50 G 3.9883 8.0932 108.8624 46.0887 0.0000 171.8329 51 F 5.8279 8.3551 117.6624 55.4554 42.6897 175.2963 52 V 4.7480 8.3947 112.0202 59.2147 36.4774 172.6484 53 P 3.8764 0.0000 0.0000 62.3814 31.8239 177.8422 54 A 3.1830 8.5316 125.7944 54.5010 18.2435 179.4919 55 A 3.9299 7.6167 117.6108 54.7816 18.6609 177.3466 56 Y 4.7053 8.0558 112.3145 58.1218 39.4407 175.8305 57 V 4.9867 7.5798 111.7706 59.1859 35.9324 174.8466 58 K 4.6045 8.4861 123.0592 54.1792 34.8921 175.3421 59 K 4.4489 8.9863 128.8722 56.2916 33.5714 176.4614 60 L 4.6847 8.0987 127.1163 54.5277 41.6014 176.1918 61 D 4.6290 7.6895 116.6006 54.2211 45.9513 173.7453 *74 P 3.8335 0.0000 0.0000 60.7966 32.9503 179.2214 75 P 4.5929 0.0000 0.0000 62.3121 29.7584 173.7955 76 P 4.9217 0.0000 0.0000 60.4836 34.2196 174.9188 77 V 3.8278 8.5384 119.5751 61.6858 30.6124 173.4096 78 P 3.9912 0.0000 0.0000 59.9733 32.4078 174.3318 79 P 4.6380 0.0000 0.0000 63.0313 31.9278 176.2324 80 Y 4.3024 8.9056 116.1844 57.0435 37.3191 170.3528 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 5 K 8.31 4.29 0.00 1.75 1.81 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.46 7.81 6 E 8.53 4.59 0.00 1.91 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 2.25 2.37 0.00 7 L 9.24 5.13 0.00 1.59 1.58 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.90 5.06 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 0.91 0.00 0.00 1.07 0.00 0.00 9 L 8.99 5.14 0.00 1.71 1.50 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.06 4.37 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 11 L 9.10 4.13 0.00 1.20 1.01 0.81 0.67 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 12 Y 7.64 4.96 0.00 2.82 2.84 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 13 D 8.94 4.81 0.00 2.68 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 14 Y 9.06 4.62 0.00 2.87 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 15 Q 8.08 4.49 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 16 E 8.54 4.32 0.00 2.11 2.16 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 2.33 2.36 0.00 17 K 9.61 4.65 0.00 1.94 1.84 0.00 1.79 0.00 0.00 2.07 0.00 0.00 2.59 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.48 7.81 18 S 7.69 4.80 0.00 3.96 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 19 P 0.00 4.29 0.00 2.07 2.16 0.00 3.65 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 2.02 2.10 0.00 20 R 7.65 4.41 0.00 2.02 2.10 0.00 3.32 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 21 E 7.61 5.06 0.00 2.10 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 0.00 2.09 2.20 0.00 22 V 8.26 4.60 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 0.70 0.00 0.00 0.99 0.00 0.00 23 T 8.66 4.72 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 24 M 8.99 5.04 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 25 K 9.68 5.03 0.00 1.72 1.77 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.39 7.81 26 K 10.18 4.09 0.00 1.82 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.40 7.81 27 G 8.87 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 28 D 7.81 4.54 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 29 I 8.34 4.92 1.88 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 1.36 0.60 0.92 0.00 0.00 30 L 8.83 4.93 0.00 1.64 1.54 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.20 4.56 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 32 L 8.99 4.28 0.00 1.61 1.52 0.79 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.29 4.30 0.00 1.62 1.60 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.32 4.24 0.00 2.66 2.61 0.00 0.00 6.72 7.63 0.00 0.00 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 S 8.33 4.06 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.88 4.02 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 1.18 0.00 0.00 37 N 8.14 4.66 0.00 2.84 3.10 0.00 0.00 6.87 6.75 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 38 K 8.85 4.39 0.00 1.82 1.85 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.54 7.81 39 D 8.06 4.37 0.00 2.64 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 0.00 0.00 0.00 0.00 40 W 9.34 5.16 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.61 5.36 0.00 3.28 3.11 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 42 K 9.19 4.02 0.00 1.24 1.47 0.00 0.90 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.11 0.84 7.81 43 V 9.57 4.99 2.11 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 0.74 0.00 0.00 1.02 0.00 0.00 44 E 9.04 4.81 0.00 1.96 1.71 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 2.18 2.23 0.00 45 V 8.30 4.42 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 0.95 0.00 0.00 0.96 0.00 0.00 46 N 8.97 3.93 0.00 2.87 1.85 0.00 0.00 7.01 8.06 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 47 D 8.98 4.76 0.00 2.66 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 48 R 8.03 4.62 0.00 2.07 1.82 0.00 3.08 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 49 Q 8.21 4.72 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 50 G 8.09 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.36 5.83 0.00 2.93 3.12 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 0.00 0.00 0.00 0.00 52 V 8.39 4.75 1.83 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 0.77 0.00 0.00 1.00 0.00 0.00 53 P 0.00 3.88 0.00 1.66 1.30 0.00 2.37 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.84 0.00 54 A 8.53 3.18 -0.24 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 0.00 0.00 0.00 55 A 7.62 3.93 1.18 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 0.00 0.00 56 Y 8.06 4.71 0.00 2.98 3.12 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 0.00 0.00 0.00 0.00 57 V 7.58 4.99 2.19 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 0.73 0.00 0.00 0.93 0.00 0.00 58 K 8.49 4.60 0.00 1.80 1.63 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.32 7.81 59 K 8.99 4.45 0.00 2.10 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.52 7.81 60 L 8.10 4.68 0.00 1.60 1.68 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.69 4.63 0.00 2.53 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 P 0.00 3.83 0.00 1.95 1.15 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 75 P 0.00 4.59 0.00 1.99 1.74 0.00 2.49 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.68 0.00 76 P 0.00 4.92 0.00 2.10 2.00 0.00 3.42 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 77 V 8.54 3.83 2.34 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 1.26 0.00 0.00 1.12 0.00 0.00 78 P 0.00 3.99 0.00 0.97 1.44 0.00 2.97 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.57 0.00 79 P 0.00 4.64 0.00 2.19 2.14 0.00 3.69 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 2.09 2.15 0.00 80 Y 8.91 4.30 0.00 3.24 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 * Residues marked with a * may have inaccurate shift predictions.