NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4781 8.3349 116.7995 58.7992 63.2943 173.9119 5 S 4.4874 8.4325 119.7139 57.8456 63.0888 174.4981 6 L 4.2124 7.9655 124.2770 57.7784 42.2410 177.7645 7 Y 4.0537 8.0300 119.3754 60.6596 37.5564 177.3065 8 K 4.2721 7.7818 118.9451 58.5508 31.8635 178.7877 9 T 4.1155 7.1277 109.6536 63.4223 69.0742 176.2739 10 F 4.2030 7.5635 119.3781 59.1567 39.4133 177.4720 11 F 4.6687 7.0636 115.0592 55.8242 40.3386 174.9741 12 K 3.9117 8.0150 111.3808 58.2897 29.0474 173.7067 13 R 3.9832 8.5511 113.2438 56.4666 28.7070 176.3472 14 N 5.0805 7.7528 112.7599 51.4771 41.5991 174.2613 15 A 4.2717 8.2665 122.8944 51.5373 19.3257 177.5887 16 V 3.2007 7.8300 119.7979 62.0316 32.0399 176.8150 17 F 4.6691 8.3621 126.3286 57.4030 40.8266 176.2124 18 V 3.3425 8.6019 121.3967 66.2878 31.0419 178.8803 19 G 3.6256 7.9545 104.7539 48.0359 0.0000 175.7301 20 T 3.9587 7.9305 117.9473 66.4260 68.5395 176.3216 21 I 3.6449 7.8432 121.6509 64.5016 37.0237 178.1150 22 F 4.6750 8.1601 117.9949 61.0144 38.7510 177.6957 23 A 4.1901 8.4270 120.1816 55.4046 18.2254 180.0454 24 G 3.6184 8.4611 103.7969 47.6092 0.0000 175.7348 25 A 4.1337 8.2108 123.2039 55.1795 18.3989 179.7903 26 F 3.9263 8.3293 116.3551 60.6323 39.0914 178.0112 27 V 3.6713 7.7581 117.9191 66.0754 31.3011 177.4576 28 F 4.0432 8.9552 120.5654 61.4471 38.8816 176.5003 29 Q 4.0518 8.5197 119.0761 59.8565 28.6798 179.5183 30 T 3.9269 7.7926 115.7568 66.7182 68.5399 176.8036 31 V 3.5260 7.8221 120.0977 65.9341 31.5919 177.4077 32 F 3.8008 8.0284 120.3326 61.4809 38.9976 176.9409 33 D 4.0905 7.6986 115.8090 57.7612 41.0560 178.1553 34 T 3.8913 7.6019 115.9933 66.6394 68.3160 176.2615 35 A 3.9425 7.9941 122.4096 55.2992 18.4784 179.7070 36 I 3.5822 7.4245 117.8982 64.7109 37.1460 178.7772 37 T 3.9197 8.2911 116.8268 66.8849 68.3967 176.7598 38 S 4.1543 8.3416 117.1331 61.4707 62.8747 176.6915 39 W 4.0444 8.6214 131.3555 60.3760 30.2003 177.5325 40 Y 3.9744 8.6154 119.2571 60.7189 38.4978 177.3768 41 E 3.9993 8.7079 119.9730 59.2586 29.5842 178.7681 42 N 4.1554 7.8517 116.7944 57.0764 38.8811 176.2837 43 H 3.7200 7.3317 118.0015 58.2301 29.8952 175.5419 44 N 4.7612 7.1515 118.1488 51.4654 40.0196 174.3504 45 K 4.1816 7.2460 121.8352 57.9205 32.8557 175.6116 46 G 4.0879 10.1039 114.7414 45.5914 0.0000 174.8192 47 K 4.1774 7.3891 117.3152 58.3021 32.9880 178.2084 48 L 4.2628 7.5774 117.9626 54.1234 43.4779 177.7918 49 W 4.3858 8.7503 130.3294 60.5771 30.5806 178.3307 50 K 3.6263 8.1069 118.0104 59.7031 31.3172 178.7664 51 D 4.2429 7.8509 117.0459 57.3173 41.0519 178.6155 52 V 3.5743 7.3674 118.5180 65.6409 31.2831 178.0715 53 K 3.3497 7.2571 118.6823 58.7649 32.0991 178.5000 54 A 4.0452 7.4069 121.3549 54.9522 18.1386 179.2306 55 K 4.2695 7.1502 111.8465 57.1778 31.9184 177.4517 56 I 4.0615 7.1477 125.9926 61.4068 37.5544 175.2815 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 4 S 8.33 4.48 0.00 3.96 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 5 S 8.43 4.49 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.97 4.21 0.00 1.81 1.77 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.03 4.05 0.00 3.17 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 8 K 7.78 4.27 0.00 2.06 1.87 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.59 7.81 9 T 7.13 4.12 3.71 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 1.08 0.00 0.00 10 F 7.56 4.20 0.00 1.87 1.64 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 11 F 7.06 4.67 0.00 2.59 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 12 K 8.02 3.91 0.00 1.82 1.79 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.24 7.81 13 R 8.55 3.98 0.00 2.08 2.13 0.00 3.06 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 14 N 7.75 5.08 0.00 2.91 2.59 0.00 0.00 6.84 7.23 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 15 A 8.27 4.27 1.27 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 0.00 0.00 16 V 7.83 3.20 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 0.40 0.00 0.00 0.15 0.00 0.00 17 F 8.36 4.67 0.00 3.06 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 18 V 8.60 3.34 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.77 0.00 0.00 19 G 7.95 3.63 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 0.00 0.00 0.00 20 T 7.93 3.96 4.35 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 1.30 0.00 0.00 21 I 7.84 3.64 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.02 0.84 0.00 0.00 22 F 8.16 4.68 0.00 3.23 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.43 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 3.62 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 0.00 0.00 0.00 25 A 8.21 4.13 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 3.93 0.00 3.20 3.19 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 0.00 27 V 7.76 3.67 2.33 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 1.07 0.00 0.00 1.07 0.00 0.00 28 F 8.96 4.04 0.00 3.21 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 29 Q 8.52 4.05 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 30 T 7.79 3.93 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 1.23 0.00 0.00 31 V 7.82 3.53 2.01 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 0.97 0.00 0.00 1.03 0.00 0.00 32 F 8.03 3.80 0.00 1.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.70 4.09 0.00 2.98 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 34 T 7.60 3.89 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 1.21 0.00 0.00 35 A 7.99 3.94 1.25 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 0.00 0.00 0.00 36 I 7.42 3.58 1.55 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.17 0.79 0.00 0.00 37 T 8.29 3.92 4.37 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 1.25 0.00 0.00 38 S 8.34 4.15 0.00 4.12 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 39 W 8.62 4.04 0.00 3.42 3.26 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 40 Y 8.62 3.97 0.00 3.20 3.22 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 0.00 0.00 0.00 0.00 41 E 8.71 4.00 0.00 2.07 1.95 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 2.40 2.54 0.00 42 N 7.85 4.16 0.00 2.88 2.68 0.00 0.00 6.86 7.77 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 43 H 7.33 3.72 0.00 1.90 2.54 0.00 5.96 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.15 4.76 0.00 2.37 2.56 0.00 0.00 6.48 6.81 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 45 K 7.25 4.18 0.00 1.79 1.61 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.31 7.81 46 G 10.10 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.39 4.18 0.00 1.83 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.35 7.81 48 L 7.58 4.26 0.00 1.92 1.61 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.75 4.39 0.00 3.37 3.10 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 50 K 8.11 3.63 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.57 7.81 51 D 7.85 4.24 0.00 2.72 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 52 V 7.37 3.57 1.91 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 0.98 0.00 0.00 1.06 0.00 0.00 53 K 7.26 3.35 0.00 0.79 1.44 0.00 1.79 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.23 1.18 7.81 54 A 7.41 4.05 1.19 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 0.00 0.00 0.00 55 K 7.15 4.27 0.00 1.90 1.80 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.56 7.81 56 I 7.15 4.06 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 1.32 0.82 0.92 0.00 0.00