NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4498 8.1627 118.3265 55.2286 33.4616 173.5164 2 Q 4.6721 8.2866 121.4733 53.3228 30.9084 172.8401 3 I 4.9026 9.1474 119.7586 59.1240 42.4325 173.3393 4 F 5.2461 9.0988 121.1654 55.6801 42.0482 175.1568 5 V 4.3378 9.0384 122.7276 60.9923 33.9805 174.3000 6 K 4.6294 8.6274 130.9524 55.9047 33.0959 176.4563 7 T 5.0149 8.7758 118.9580 60.6158 71.1047 175.3766 8 L 4.1729 8.4951 119.9106 55.8503 41.9474 178.1436 9 T 4.0494 7.6016 108.4001 62.4590 69.1586 175.7791 10 G 3.9759 7.7465 110.0633 44.6657 0.0000 173.0759 11 K 4.4876 7.7976 122.1215 55.4736 33.9740 175.2519 12 T 5.1818 8.5503 123.2890 61.7532 71.0641 173.4047 13 I 4.6546 8.8242 119.6084 59.5161 40.9737 174.4532 14 T 4.9346 8.3688 118.8679 61.9202 71.0065 173.9071 15 L 4.7952 8.4394 123.3830 52.9272 46.1956 174.9213 16 E 4.9627 8.6572 122.8742 54.9508 30.7804 175.2992 17 V 4.7155 8.6863 119.3104 60.0146 36.4409 174.2089 18 E 4.7353 9.2620 121.3596 53.9481 32.0118 176.0193 19 P 4.2563 0.0000 0.0000 65.5073 31.5777 178.3426 20 S 4.3666 7.9258 110.5252 59.3736 63.6875 174.2174 21 D 4.4932 8.2337 123.6083 54.2888 41.3675 176.1725 22 T 4.6183 8.2173 113.4125 61.4712 71.1513 175.8103 23 I 3.6885 8.5533 123.8300 64.4343 37.0913 178.2792 24 E 3.9139 8.3316 120.2426 59.5407 29.4628 178.5042 25 N 4.2907 8.2132 116.8173 56.6367 38.9722 176.8787 26 V 3.5775 7.9464 119.6828 66.0227 31.5320 178.2183 27 K 4.3808 8.4701 119.2836 58.7906 31.7559 179.2182 28 A 3.9738 8.0535 121.2318 55.1464 18.1826 179.8499 29 K 3.9074 8.1968 116.9662 59.5992 32.0003 179.7137 30 I 3.7586 7.7775 120.3074 64.2346 36.9685 178.1868 31 Q 4.0392 8.2975 120.7378 59.2788 28.6425 177.9654 32 D 4.3287 8.1941 119.3116 56.7735 40.8663 177.8860 33 K 4.2758 7.6796 118.7271 57.4999 32.8920 177.2995 34 E 4.6317 8.5188 115.9491 55.2039 31.4024 177.1312 35 G 3.9225 8.2090 106.8099 45.0414 0.0000 173.4557 36 I 3.9677 7.3769 120.9216 59.7990 37.8397 174.1484 37 P 4.3437 0.0000 0.0000 62.0433 31.9907 175.4500 38 P 4.2627 0.0000 0.0000 65.8289 31.3477 177.9075 39 D 4.5030 8.0099 114.8567 55.0108 39.6376 176.6211 40 Q 4.2791 8.2290 118.8895 56.5350 29.4724 174.7030 41 Q 4.6964 8.1199 119.2387 54.5089 30.5987 174.5107 42 R 4.6711 8.9528 125.2018 54.5543 32.0268 174.2928 43 L 5.2001 8.4770 126.1389 53.1410 44.2772 175.4223 44 I 4.9842 8.6747 124.0392 59.5568 40.4969 175.0695 45 F 4.7178 8.9801 127.2372 57.7830 42.5170 174.1339 46 A 3.4468 8.9161 129.9094 53.2336 15.7839 177.8498 47 G 3.8957 8.2636 105.3775 46.7711 0.0000 173.9365 48 K 4.6537 7.8248 119.7652 54.3057 34.8045 176.0256 49 Q 4.7843 8.1903 128.5826 55.2802 29.4427 174.7056 *51 E 4.1977 8.5768 114.1327 56.0583 31.0256 176.1052 52 D 4.4193 8.9823 123.5797 57.5349 41.0225 178.7757 53 G 3.7519 7.9679 105.1704 46.7642 0.0000 173.8093 54 R 4.3793 7.8420 119.7329 55.7313 31.3287 175.3640 55 T 5.0534 8.4671 109.1945 59.7483 71.3577 175.5739 56 L 4.0544 8.4871 122.6819 58.2523 41.4796 180.1934 57 S 4.1591 8.2822 113.9814 61.5981 62.5943 176.2297 58 D 4.2659 7.7680 121.2144 56.7142 40.4562 177.3622 59 Y 4.5329 7.7998 115.0146 56.5491 38.1927 175.1228 60 N 4.2346 8.1329 117.4727 54.5027 37.9841 174.2429 61 I 3.7086 7.0990 115.1093 60.3698 37.1850 176.2474 62 Q 4.5149 8.2822 124.9662 53.3632 30.8107 175.1105 63 K 3.9214 8.2711 118.0413 58.7736 32.6646 176.7361 64 E 4.0112 9.1109 119.9754 57.1729 27.6885 175.0545 65 S 4.5116 7.7641 115.7208 58.9798 63.4490 173.5512 66 T 5.6017 8.0775 117.9020 61.2597 71.4795 172.9259 *68 H 4.7035 8.3210 117.3874 56.0966 30.3883 172.3900 69 L 5.0151 8.8012 125.6827 53.4175 43.5032 175.4765 70 V 4.4820 8.7727 126.8003 61.0807 34.4633 174.0205 71 L 5.1954 8.4702 127.0651 53.3101 43.8637 176.1010 72 R 4.4195 8.8983 120.3173 55.2695 32.0184 175.7296 73 L 3.7253 8.7373 122.7227 55.9646 41.7788 174.9790 74 R 4.3786 7.9005 114.8572 57.6954 31.6239 177.5534 75 G 3.9862 7.8299 103.7770 45.4579 0.0000 173.8614 76 G 4.4523 7.5769 113.5824 45.1186 0.0000 172.8474 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 1 M 8.16 4.45 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 2 Q 8.29 4.67 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 1.68 2.04 0.00 3 I 9.15 4.90 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.82 0.00 0.00 4 F 9.10 5.25 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.04 4.34 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 1.04 0.00 0.00 0.92 0.00 0.00 6 K 8.63 4.63 0.00 1.89 1.70 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 7 T 8.78 5.01 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 8 L 8.50 4.17 0.00 1.65 1.76 0.93 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 9 T 7.60 4.05 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 1.22 0.00 0.00 10 G 7.75 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 11 K 7.80 4.49 0.00 1.81 1.69 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 12 T 8.55 5.18 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 1.42 0.00 0.00 13 I 8.82 4.65 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.93 0.00 0.00 14 T 8.37 4.93 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 0.98 0.00 0.00 15 L 8.44 4.80 0.00 1.45 1.43 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.96 0.00 1.89 1.79 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 2.17 2.34 0.00 17 V 8.69 4.72 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 0.67 0.00 0.00 0.91 0.00 0.00 18 E 9.26 4.74 0.00 1.82 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 0.00 2.20 2.38 0.00 19 P 0.00 4.26 0.00 2.16 2.09 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.93 4.37 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.49 0.00 2.78 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 22 T 8.22 4.62 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 1.22 0.00 0.00 23 I 8.55 3.69 2.22 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 1.76 1.25 0.96 0.00 0.00 24 E 8.33 3.91 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 25 N 8.21 4.29 0.00 2.81 2.93 0.00 0.00 6.92 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 26 V 7.95 3.58 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 0.94 0.00 0.00 0.96 0.00 0.00 27 K 8.47 4.38 0.00 2.00 1.84 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.47 7.81 28 A 8.05 3.97 1.36 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 0.00 0.00 0.00 29 K 8.20 3.91 0.00 1.97 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.70 7.81 30 I 7.78 3.76 2.13 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.91 0.00 0.00 31 Q 8.30 4.04 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 32 D 8.19 4.33 0.00 2.88 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 33 K 7.68 4.28 0.00 1.68 1.81 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.45 7.81 34 E 8.52 4.63 0.00 2.10 1.94 0.00 0.00 0.00 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 2.42 0.00 35 G 8.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 3.97 1.87 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 1.42 0.58 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.12 0.00 3.59 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 2.12 2.09 0.00 39 D 8.01 4.50 0.00 2.78 2.79 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 40 Q 8.23 4.28 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 8.12 4.70 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 42 R 8.95 4.67 0.00 1.86 1.91 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 L 8.48 5.20 0.00 1.58 1.50 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.67 4.98 1.93 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 1.12 0.62 0.96 0.00 0.00 45 F 8.98 4.72 0.00 2.91 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 46 A 8.92 3.45 0.93 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 0.00 0.00 47 G 8.26 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 4.65 0.00 1.96 1.80 0.00 1.96 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.60 7.81 49 Q 8.19 4.78 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 *51 E 8.58 4.20 0.00 2.29 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 2.36 2.45 0.00 52 D 8.98 4.42 0.00 2.75 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 53 G 7.97 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 0.00 0.00 0.00 54 R 7.84 4.38 0.00 2.17 2.01 0.00 3.12 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.86 0.00 55 T 8.47 5.05 4.49 0.00 0.00 0.00 0.00 0.00 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 56 L 8.49 4.05 0.00 1.86 1.72 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.16 0.00 4.04 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 58 D 7.77 4.27 0.00 2.54 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.80 4.53 0.00 3.20 3.05 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 60 N 8.13 4.23 0.00 2.90 3.03 0.00 0.00 7.13 7.51 0.00 0.00 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 I 7.10 3.71 1.75 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.55 0.00 0.00 62 Q 8.28 4.51 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 63 K 8.27 3.92 0.00 1.86 1.83 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.51 7.81 64 E 9.11 4.01 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 65 S 7.76 4.51 0.00 3.83 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 5.60 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 1.20 0.00 0.00 *68 H 8.32 4.70 0.00 3.14 3.28 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.80 5.02 0.00 1.62 1.57 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.77 4.48 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.47 5.20 0.00 1.78 1.55 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.90 4.42 0.00 1.86 2.05 0.00 3.14 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 73 L 8.74 3.73 0.00 1.77 1.76 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.90 4.38 0.00 1.82 1.94 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 75 G 7.83 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 76 G 7.58 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.