NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2507 8.3301 115.2857 58.0498 64.3293 174.2616 2 A 4.0087 7.2601 121.9189 48.7729 20.8734 173.7564 *2054 Q 4.1437 8.4016 114.1391 57.3959 30.0926 173.0066 2055 D 4.3614 8.9571 121.1217 55.8658 40.0929 173.3994 2056 L 3.5160 7.7086 114.8575 54.9724 40.5429 175.0501 2057 R 4.3430 7.7594 121.2389 56.1795 31.5391 176.8462 2058 M 5.7547 8.7812 121.7008 53.4471 32.8778 174.3810 2059 S 4.6697 8.5868 123.6918 56.9560 67.1437 172.0191 2060 Y 4.6233 7.7957 118.1117 58.6710 39.2583 175.1396 2061 C 5.2000 8.8419 124.4914 55.5299 46.0482 171.8151 2062 Y 5.2030 9.0105 123.9768 56.9851 39.2499 176.4136 2063 A 4.5988 8.6614 124.0922 53.0229 20.0669 177.7867 2064 K 4.6969 8.6444 115.1328 55.1115 36.1212 175.4909 2065 F 5.1852 9.3068 126.3179 56.6052 41.8943 175.8082 2066 E 4.0409 8.1495 132.5625 58.9171 28.2966 177.1505 2067 G 4.0374 6.8156 99.6735 46.0227 0.0000 173.0665 2068 G 3.9655 5.8676 117.8997 45.0453 0.0000 173.9604 2069 K 4.4899 6.3503 117.8212 55.9558 35.0557 175.1217 2070 C 5.3527 8.2258 114.1591 57.0990 45.0994 172.7684 2071 S 4.6972 9.4436 115.5942 59.1735 67.4091 174.0251 2072 S 4.0130 8.6112 113.4472 58.4147 59.3787 168.6229 2073 P 4.5120 0.0000 0.0000 61.2531 32.5613 176.5773 2074 K 4.0203 8.3843 123.2297 56.4445 32.4335 176.8673 2075 S 4.1769 8.9342 120.9396 61.6929 62.8472 175.4806 2076 R 4.5018 7.7961 116.6730 55.2230 31.2952 174.8475 2077 N 5.3196 8.2724 116.0682 51.9989 39.9916 173.2814 2078 H 5.0975 9.0719 116.2681 53.9707 34.2436 172.8884 2079 S 5.5031 8.8637 115.2325 57.8647 63.3636 176.0098 2080 K 2.0000 7.8342 122.6683 59.3384 31.4749 179.5314 2081 Q 3.6049 7.3300 118.6411 58.8035 28.8911 177.8321 2082 E 3.9619 7.8707 119.2643 58.6723 29.4511 179.1181 2083 C 4.2638 7.9822 118.8574 59.7848 42.2367 173.9777 2084 C 4.5826 7.8394 115.5481 57.5003 34.6745 173.8420 2085 C 4.4022 8.1887 117.3596 58.2377 41.5549 175.8184 2086 A 4.0180 7.7425 121.3192 53.5284 18.9578 177.9677 2087 L 4.2993 7.5756 113.8696 54.9576 43.0514 177.7566 2088 K 4.2259 6.7939 112.6278 57.1601 29.8492 175.0742 2089 G 4.3021 7.5398 120.3514 45.7497 0.0000 172.9200 2090 E 4.7066 9.5917 119.6343 56.7723 33.1297 175.5011 2091 G 4.4277 8.0311 104.4744 44.8613 0.0000 171.1133 2092 W 5.5899 8.7605 128.5233 56.7549 34.7271 174.7170 2093 G 3.1269 6.8864 109.8337 44.4481 0.0000 173.6315 2094 D 4.7901 8.4209 119.6317 55.7717 39.5840 176.2387 2095 P 4.4713 0.0000 0.0000 61.6226 30.0275 175.1273 2096 C 3.6970 6.8138 118.5083 54.9354 39.1998 172.5203 2097 E 4.4894 9.0466 126.8385 53.8666 32.1594 174.7131 2098 L 3.5815 7.8396 126.5175 55.7382 42.2721 177.4757 2099 C 4.7106 8.6564 124.4073 55.9898 41.0882 172.2315 2100 P 4.6698 0.0000 0.0000 62.4928 32.3938 175.2708 2101 T 4.8535 8.0311 107.5979 59.2918 71.5419 173.3822 2102 E 3.8771 7.2241 120.8733 55.5882 30.0662 174.2650 2103 P 4.5641 0.0000 0.0000 62.5703 32.2637 175.2655 2104 D 4.3447 7.8872 118.1738 55.6589 41.5404 176.9702 2105 E 3.9601 9.1148 125.8411 59.6581 29.7130 178.9003 2106 A 4.0878 8.1550 120.0241 55.2181 18.6025 178.5678 2107 F 3.9200 8.0328 118.7567 62.1254 39.4287 177.7552 2108 R 4.4277 8.1605 116.0848 58.5697 29.0783 178.0316 2109 Q 3.9278 7.7991 120.0175 58.3296 28.8786 177.0817 2110 I 4.5042 7.1875 110.7487 60.0718 39.3936 174.6789 2111 C 4.4405 7.1203 118.0537 53.8323 40.5912 172.6241 2112 P 4.0904 0.0000 0.0000 65.3678 31.2823 177.7941 2113 Y 4.3937 7.3023 113.9889 59.7600 38.4509 175.3132 2114 G 4.1368 7.9911 104.0937 42.9069 0.0000 173.0322 2115 S 4.6959 8.0046 114.7731 57.4538 62.5890 173.4962 2116 G 3.7419 9.0779 126.4615 45.3712 0.0000 173.3880 2117 I 3.6170 9.3465 119.6203 61.3507 38.0939 174.0394 2118 I 4.6061 7.5159 115.9791 60.1599 38.1434 177.3200 2119 V 3.2983 8.2728 118.6826 64.0617 31.5926 178.1948 2120 G 3.9077 7.8394 114.0821 44.2613 0.0000 170.7235 2121 P 4.4289 0.0000 0.0000 64.1102 31.7957 175.9096 2122 D 4.4679 8.6601 119.3888 55.1638 39.7711 172.6975 2123 D 4.9884 8.8508 113.9395 51.0907 41.6459 175.5683 2124 S 5.0446 9.0215 112.9858 57.5120 63.8972 176.1387 2125 A 4.1102 8.2489 123.0012 52.8285 18.4835 176.8663 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 S 8.33 4.25 0.00 3.83 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 2 A 7.26 4.01 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 *2054 Q 8.40 4.14 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.12 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 2055 D 8.96 4.36 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2056 L 7.71 3.52 0.00 1.71 1.87 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 2057 R 7.76 4.34 0.00 1.90 2.23 0.00 3.44 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 2058 M 8.78 5.75 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2059 S 8.59 4.67 0.00 2.76 3.30 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 0.00 0.00 0.00 0.00 2060 Y 7.80 4.62 0.00 2.86 2.49 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 0.00 2061 C 8.84 5.20 0.00 3.24 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 2062 Y 9.01 5.20 0.00 3.11 3.16 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 0.00 0.00 0.00 2063 A 8.66 4.60 1.33 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 2064 K 8.64 4.70 0.00 1.85 1.93 0.00 1.30 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.49 7.81 2065 F 9.31 5.19 0.00 2.94 3.24 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 2066 E 8.15 4.04 0.00 1.85 1.67 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 0.00 2.20 2.31 0.00 2067 G 6.82 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 2068 G 5.87 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 0.00 0.00 0.00 2069 K 6.35 4.49 0.00 1.79 1.80 0.00 1.45 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.34 7.81 2070 C 8.23 5.35 0.00 2.52 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 0.00 0.00 0.00 0.00 2071 S 9.44 4.70 0.00 3.88 3.77 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 0.00 0.00 0.00 2072 S 8.61 4.01 0.00 4.09 4.06 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 2073 P 0.00 4.51 0.00 1.63 0.49 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 2074 K 8.38 4.02 0.00 2.07 1.84 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.51 7.81 2075 S 8.93 4.18 0.00 3.87 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 2076 R 7.80 4.50 0.00 1.85 1.85 0.00 3.33 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 2077 N 8.27 5.32 0.00 2.66 2.39 0.00 0.00 5.78 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2078 H 9.07 5.10 0.00 3.16 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2079 S 8.86 5.50 0.00 3.65 3.66 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 2080 K 7.83 2.00 0.00 0.79 0.74 0.00 1.08 0.00 0.00 1.30 0.00 0.00 2.67 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.64 0.84 7.81 2081 Q 7.33 3.60 0.00 1.91 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.76 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 2082 E 7.87 3.96 0.00 2.00 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 2.42 2.38 0.00 2083 C 7.98 4.26 0.00 3.30 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 2084 C 7.84 4.58 0.00 2.90 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 2085 C 8.19 4.40 0.00 2.95 2.86 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 2086 A 7.74 4.02 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 2087 L 7.58 4.30 0.00 1.82 1.71 0.75 0.92 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 2088 K 6.79 4.23 0.00 1.82 2.11 0.00 1.75 0.00 0.00 1.60 0.00 0.00 3.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.52 7.81 2089 G 7.54 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2090 E 9.59 4.71 0.00 2.07 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 0.00 2.30 2.63 0.00 2091 G 8.03 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2092 W 8.76 5.59 0.00 3.37 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 2093 G 6.89 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2094 D 8.42 4.79 0.00 3.01 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 2095 P 0.00 4.47 0.00 2.16 2.09 0.00 3.47 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 2096 C 6.81 3.70 0.00 2.33 2.93 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 2097 E 9.05 4.49 0.00 1.99 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 2.38 2.44 0.00 2098 L 7.84 3.58 0.00 0.78 1.38 0.91 1.07 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 2099 C 8.66 4.71 0.00 2.95 3.02 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 0.00 0.00 0.00 2100 P 0.00 4.67 0.00 2.36 2.10 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 2101 T 8.03 4.85 4.15 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 1.24 0.00 0.00 2102 E 7.22 3.88 0.00 1.20 1.12 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 1.73 1.92 0.00 2103 P 0.00 4.56 0.00 2.18 2.11 0.00 3.73 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 2104 D 7.89 4.34 0.00 2.82 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 2105 E 9.11 3.96 0.00 2.01 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 2.30 2.41 0.00 2106 A 8.16 4.09 1.39 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 0.00 0.00 0.00 0.00 0.00 2107 F 8.03 3.92 0.00 3.35 3.32 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 2108 R 8.16 4.43 0.00 2.23 2.33 0.00 3.21 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 2109 Q 7.80 3.93 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 2110 I 7.19 4.50 1.57 0.00 0.00 0.64 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 1.51 0.72 0.00 0.00 2111 C 7.12 4.44 0.00 2.55 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 2112 P 0.00 4.09 0.00 1.95 2.07 0.00 2.79 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 2113 Y 7.30 4.39 0.00 3.00 2.91 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 2114 G 7.99 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 2115 S 8.00 4.70 0.00 4.07 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 2116 G 9.08 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2117 I 9.35 3.62 1.82 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.41 0.92 0.00 0.00 2118 I 7.52 4.61 1.89 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 1.47 0.53 0.93 0.00 0.00 2119 V 8.27 3.30 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 0.66 0.00 0.00 0.95 0.00 0.00 2120 G 7.84 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 2121 P 0.00 4.43 0.00 2.20 2.09 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 2122 D 8.66 4.47 0.00 2.73 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 2123 D 8.85 4.99 0.00 2.88 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 2124 S 9.02 5.04 0.00 4.14 3.94 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 0.00 0.00 0.00 2125 A 8.25 4.11 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.