NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4819 8.3344 115.4442 58.0382 64.9535 175.0251 2 W 3.2335 8.3048 128.3623 57.6804 29.0009 171.8538 3 M 4.9645 8.6961 117.2506 53.4085 35.9732 175.6266 4 S 4.8494 8.8779 119.6687 58.3219 64.1090 173.7176 5 T 4.6499 7.8108 112.2991 60.7356 71.2075 173.6739 6 V 4.1572 7.6590 120.6103 60.2128 35.0121 176.3458 7 G 2.3093 8.5600 108.3445 44.7630 0.0000 173.4722 8 G 2.0000 5.9289 111.3094 45.6799 0.0000 174.2011 9 N 4.5832 7.9648 120.6555 53.6697 38.9161 176.0661 10 S 4.0264 7.7919 116.1019 60.2055 63.4407 175.2552 11 G 3.7570 7.6624 107.2149 45.2399 0.0000 173.5263 12 G 4.0330 8.0084 105.9226 44.8479 0.0000 173.8312 13 A 4.6735 7.7773 120.1776 49.1073 21.9853 176.3288 14 P 5.2888 0.0000 0.0000 62.3261 32.6935 176.5472 15 C 4.2465 8.7440 121.8802 57.0270 40.8430 173.2065 16 V 4.1181 8.1450 124.8803 61.7973 31.6908 174.9211 17 F 5.4676 8.7243 126.9361 55.0999 41.4106 173.5744 18 P 5.2041 0.0000 0.0000 62.3806 32.5674 175.0807 19 F 5.8292 9.1901 118.9492 55.0102 40.6351 174.5926 20 T 5.6605 8.7259 119.0972 61.8335 70.2670 173.1351 21 F 5.3146 9.3724 128.7668 57.1240 42.2411 175.0707 22 L 3.6683 9.5092 125.3886 55.9473 39.7378 175.5957 23 G 4.1072 7.7206 107.4286 44.9680 0.0000 174.2294 24 N 4.9732 8.5242 117.3867 51.2310 41.6727 174.0728 25 K 4.5155 8.3175 121.6582 56.0004 33.3174 175.7234 26 Y 4.2459 9.1284 124.4844 56.3951 39.0487 176.5539 27 E 4.2719 8.8876 124.1307 56.9056 30.4553 175.5107 28 S 4.1783 7.3942 111.3431 55.8534 66.1743 173.7765 29 C 4.8777 8.5216 117.4537 57.5806 38.8935 172.5088 30 T 4.7166 8.4813 115.2101 60.8741 70.4948 173.8278 31 S 4.8947 8.3157 115.0695 57.6209 63.5261 173.6071 32 A 4.3295 7.7800 124.0052 54.1405 18.4086 179.3133 33 G 4.1091 9.2198 109.3235 45.6244 0.0000 173.5631 34 R 4.6794 7.7990 118.1064 54.6233 32.4982 175.8542 35 S 4.7445 8.6815 116.8604 58.2566 63.2205 174.2694 36 D 4.6017 7.3745 118.9191 52.1271 40.7685 176.3916 37 G 4.3352 7.5262 120.2036 45.2403 0.0000 173.4478 38 K 3.7969 7.9557 119.8688 56.7684 32.2872 176.4587 39 M 4.7290 8.3636 123.9089 54.6468 34.0564 175.7291 40 W 5.5028 9.2819 119.2635 56.0795 32.2393 171.1497 41 C 4.3409 9.7602 111.9760 54.5261 45.6151 173.5641 42 A 4.9901 5.8000 123.6077 52.1166 19.2202 177.9180 43 T 4.7872 8.8292 109.9992 60.5580 69.1380 174.6012 44 T 4.6947 7.4302 110.2123 59.8105 72.2488 173.6916 45 A 4.0974 8.8697 125.9226 54.8066 18.3208 176.9489 46 N 5.0432 8.0102 116.7679 51.9146 40.1077 174.2434 47 Y 4.1551 8.9962 128.4202 60.5282 39.3245 177.2448 48 D 4.5992 8.6634 118.6923 57.4695 40.8347 177.3297 49 D 4.5996 8.0332 117.7944 56.6982 41.5694 177.7399 50 D 4.3274 7.9594 118.5704 55.7038 41.2473 177.1165 51 R 2.5100 7.4639 116.8235 56.7967 28.3205 176.3697 52 K 4.7508 7.2605 116.1527 54.4512 34.8870 176.5354 53 W 5.9080 8.6281 121.1821 55.1091 32.5931 173.9075 54 G 3.9870 9.2123 103.5077 44.9278 0.0000 173.4844 55 F 5.4424 9.1219 123.2835 57.7124 40.3344 174.0952 56 C 4.7292 9.3253 122.3181 55.9968 43.9122 173.8005 57 P 4.4911 0.0000 0.0000 62.2567 31.3881 175.5370 58 D 4.3716 8.8124 119.1209 55.3328 41.1650 176.5033 59 Q 4.5974 8.6069 126.4651 55.8732 29.4258 176.0462 60 G 3.7525 7.7803 112.2795 45.9021 0.0000 174.4170 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 4.48 0.00 4.17 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 0.00 2 W 8.30 3.23 0.00 3.73 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 3 M 8.70 4.96 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.65 0.00 4 S 8.88 4.85 0.00 3.76 3.85 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 5 T 7.81 4.65 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 1.28 0.00 0.00 6 V 7.66 4.16 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 1.06 0.00 0.00 7 G 8.56 2.31 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 0.00 8 G 5.93 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 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.96 4.58 0.00 2.66 2.64 0.00 0.00 6.74 7.24 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 10 S 7.79 4.03 0.00 3.90 3.93 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 11 G 7.66 3.76 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 0.00 0.00 0.00 12 G 8.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.67 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 14 P 0.00 5.29 0.00 2.03 1.95 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.84 0.00 15 C 8.74 4.25 0.00 2.55 2.35 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 16 V 8.14 4.12 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 0.77 0.00 0.00 0.96 0.00 0.00 17 F 8.72 5.47 0.00 3.07 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 18 P 0.00 5.20 0.00 2.12 2.12 0.00 3.59 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 2.03 2.15 0.00 19 F 9.19 5.83 0.00 3.27 3.43 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 20 T 8.73 5.66 4.40 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 0.00 0.00 0.00 1.39 0.00 0.00 21 F 9.37 5.31 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.51 3.67 0.00 1.45 1.52 -0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.72 4.11 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 0.00 0.00 0.00 24 N 8.52 4.97 0.00 2.27 2.24 0.00 0.00 6.96 7.71 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 25 K 8.32 4.52 0.00 1.52 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 26 Y 9.13 4.25 0.00 1.43 2.44 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 0.00 27 E 8.89 4.27 0.00 1.85 1.90 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 2.25 2.23 0.00 28 S 7.39 4.18 0.00 3.82 3.65 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 29 C 8.52 4.88 0.00 3.03 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 30 T 8.48 4.72 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 -0.14 0.00 0.00 31 S 8.32 4.89 0.00 4.05 4.02 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 32 A 7.78 4.33 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.22 4.11 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 0.00 0.00 0.00 34 R 7.80 4.68 0.00 2.02 2.16 0.00 3.19 0.00 0.00 3.68 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.79 0.00 35 S 8.68 4.74 0.00 3.83 3.83 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 0.00 0.00 0.00 0.00 36 D 7.37 4.60 0.00 2.76 2.62 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 37 G 7.53 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 3.80 0.00 1.21 0.77 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.28 7.81 39 M 8.36 4.73 0.00 2.05 1.97 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 2.76 2.53 0.00 40 W 9.28 5.50 0.00 3.95 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 41 C 9.76 4.34 0.00 2.50 3.21 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 42 A 5.80 4.99 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 43 T 8.83 4.79 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 1.24 0.00 0.00 44 T 7.43 4.69 4.38 0.00 0.00 0.00 0.00 0.00 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 45 A 8.87 4.10 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 46 N 8.01 5.04 0.00 2.79 2.77 0.00 0.00 6.87 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 9.00 4.16 0.00 3.48 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.66 4.60 0.00 3.02 2.81 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 0.00 0.00 0.00 0.00 49 D 8.03 4.60 0.00 2.71 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 50 D 7.96 4.33 0.00 2.63 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 51 R 7.46 2.51 0.00 1.71 1.78 0.00 3.25 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 52 K 7.26 4.75 0.00 1.63 1.68 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.48 7.81 53 W 8.63 5.91 0.00 3.58 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 54 G 9.21 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 55 F 9.12 5.44 0.00 2.91 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 56 C 9.33 4.73 0.00 3.10 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 57 P 0.00 4.49 0.00 2.29 2.06 0.00 3.95 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 2.07 2.06 0.00 58 D 8.81 4.37 0.00 2.67 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 59 Q 8.61 4.60 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 60 G 7.78 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