NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0076 8.0549 114.0559 60.7460 33.7480 174.8680 6 T 4.2549 7.8876 116.3565 61.2946 69.4832 171.9317 7 K 4.5175 8.3927 125.6196 53.9692 35.8474 176.4395 8 C 4.4124 8.5847 120.4170 56.8146 44.8557 171.4424 9 N 4.2822 9.1446 127.6262 54.2116 37.3074 175.9341 10 I 4.1914 8.6621 111.8404 60.3784 39.9253 173.2203 11 T 4.6948 8.0036 119.7811 61.4469 70.4423 170.9992 12 C 4.8997 8.2702 116.9985 54.3406 43.7054 172.8595 13 S 4.4183 7.9963 114.5165 59.8513 64.0566 174.2013 14 K 4.1230 7.6820 121.5342 56.0993 33.3156 177.1281 15 M 4.8084 8.2522 122.5071 54.3396 34.3174 175.1483 16 T 4.9212 8.3604 114.4015 62.2293 72.5812 174.6185 17 S 4.2541 8.6809 119.4080 57.4482 64.3867 172.8954 18 K 2.0000 7.7719 122.4037 55.4615 31.2476 175.6700 19 I 3.7432 5.7379 127.0386 59.2092 38.2398 174.4900 20 P 4.1419 0.0000 0.0000 63.0662 31.7514 177.8194 21 V 3.6800 8.5341 116.3734 64.1365 31.7628 178.3246 22 A 4.0651 7.8778 121.5848 54.6395 18.4923 178.2351 23 L 4.2692 7.9761 115.1841 56.1077 42.1953 176.7821 24 L 4.8374 7.6593 119.6123 54.1165 42.3194 176.4509 25 I 4.5731 8.1003 114.7923 61.1015 39.3802 174.6553 26 H 4.8721 7.9997 120.6342 55.9501 32.9469 171.6795 27 Y 5.9455 8.0656 119.6425 55.7493 41.3404 173.9016 28 Q 4.4656 8.3367 116.2160 55.0415 31.6677 173.7917 29 Q 4.8273 8.6898 120.6286 55.7651 30.0463 174.9738 30 N 4.7664 8.7549 118.4778 52.2161 39.3767 174.5051 31 Q 4.1980 8.5192 117.1832 55.3296 29.7803 177.3892 32 A 3.9719 8.6804 123.4678 55.7171 18.4555 179.9676 33 S 4.3628 7.9259 109.0126 60.4879 62.9674 175.9998 34 C 4.4756 8.1444 118.2398 58.3113 41.2481 173.8793 35 G 3.8639 7.6610 104.8145 43.3687 0.0000 176.4277 36 K 3.9784 8.5043 124.4794 55.9784 32.4358 175.7536 37 R 4.3623 8.6116 124.2601 55.4013 31.0202 175.3784 38 A 4.8196 8.5352 125.2613 50.2289 23.0947 174.3222 39 I 4.7978 8.7532 121.9877 59.7532 39.8039 174.8700 40 I 4.7044 9.1519 128.7580 60.3025 38.6872 174.6611 41 L 5.2550 9.3598 128.2851 53.2285 43.9399 175.1575 42 E 5.2621 9.3312 124.9545 54.6801 32.4442 175.6407 43 T 4.9553 8.6859 117.2757 60.4395 70.9868 175.9041 44 R 3.9397 9.2304 121.8273 59.8104 30.0167 178.3527 45 Q 4.2528 8.0737 112.7061 56.4136 28.8757 175.6611 46 H 4.1512 8.5883 114.5297 56.7998 26.7453 175.2610 47 R 4.2471 7.8945 118.0311 55.9126 31.5605 175.4714 48 L 5.1996 7.7895 120.2281 53.0929 44.3025 175.9620 49 F 5.0603 9.5631 121.5447 55.8364 43.6007 172.7365 50 C 5.3878 8.9540 119.6757 55.2811 43.5855 172.2061 51 A 4.8477 8.9684 126.5512 50.1681 23.0472 174.7017 52 D 4.7994 8.4799 120.2061 52.3347 41.3639 175.5555 53 P 4.2558 0.0000 0.0000 64.5384 31.5741 177.6305 54 K 4.0707 7.9550 118.3490 58.5539 32.5408 177.7951 55 E 4.2127 7.9038 119.8125 55.7635 31.1547 177.6446 56 Q 3.9999 8.6558 123.6643 58.6594 29.2928 178.3914 57 W 4.2045 8.1217 117.5393 59.0807 28.2304 178.5618 58 V 2.7082 6.5971 118.8952 65.4343 30.9271 177.8734 59 K 3.7294 7.4911 117.7073 59.4737 31.7789 179.0445 60 D 4.2842 8.3038 119.0494 57.2249 40.7962 178.4173 61 A 4.0151 8.2507 121.5610 55.7079 18.3951 179.5311 62 M 3.2548 8.2422 117.1218 58.4766 31.6803 179.1425 63 Q 3.9911 8.0899 117.3813 58.9756 29.1628 177.8626 64 H 4.1846 8.5162 119.6213 59.4152 29.9120 177.1520 65 L 4.1045 8.0888 120.6051 58.1400 41.2593 179.1938 66 D 4.5090 8.1436 117.6654 57.3685 40.8893 178.3800 67 R 4.2900 7.7081 115.4448 56.6024 30.4347 176.3589 68 Q 4.2187 8.4550 125.8730 56.0835 29.2628 174.7240 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 V 8.05 4.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 6 T 7.89 4.25 4.24 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 1.21 0.00 0.00 7 K 8.39 4.52 0.00 1.71 1.71 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.33 7.81 8 C 8.58 4.41 0.00 2.93 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 9 N 9.14 4.28 0.00 2.69 2.52 0.00 0.00 7.15 7.94 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 10 I 8.66 4.19 1.87 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 1.31 0.97 0.91 0.00 0.00 11 T 8.00 4.69 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 12 C 8.27 4.90 0.00 3.10 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 13 S 8.00 4.42 0.00 4.01 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 14 K 7.68 4.12 0.00 1.94 1.91 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.53 7.81 15 M 8.25 4.81 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 16 T 8.36 4.92 4.51 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 0.00 0.00 0.00 0.97 0.00 0.00 17 S 8.68 4.25 0.00 3.68 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 18 K 7.77 2.00 0.00 0.79 1.26 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.95 0.80 7.81 19 I 5.74 3.74 1.82 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.51 0.80 0.00 0.00 20 P 0.00 4.14 0.00 2.11 1.95 0.00 3.44 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 21 V 8.53 3.68 2.06 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 0.87 0.00 0.00 0.79 0.00 0.00 22 A 7.88 4.07 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 23 L 7.98 4.27 0.00 1.88 1.75 0.90 0.41 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 24 L 7.66 4.84 0.00 1.83 1.69 1.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.10 4.57 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.93 0.00 0.00 26 H 8.00 4.87 0.00 3.18 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.07 5.95 0.00 2.89 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 28 Q 8.34 4.47 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 29 Q 8.69 4.83 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 30 N 8.75 4.77 0.00 2.96 3.02 0.00 0.00 7.36 6.99 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 31 Q 8.52 4.20 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 32 A 8.68 3.97 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 33 S 7.93 4.36 0.00 3.87 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 34 C 8.14 4.48 0.00 3.01 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 35 G 7.66 3.86 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 0.00 0.00 0.00 36 K 8.50 3.98 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 37 R 8.61 4.36 0.00 1.81 1.80 0.00 3.03 0.00 0.00 3.88 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 38 A 8.54 4.82 1.21 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 0.00 0.00 39 I 8.75 4.80 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.96 0.00 0.00 40 I 9.15 4.70 1.92 0.00 0.00 0.89 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 0.88 1.01 0.00 0.00 41 L 9.36 5.25 0.00 1.93 1.80 1.09 0.87 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 42 E 9.33 5.26 0.00 2.08 1.85 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 2.17 2.22 0.00 43 T 8.69 4.96 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 1.56 0.00 0.00 44 R 9.23 3.94 0.00 1.82 2.11 0.00 3.35 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 45 Q 8.07 4.25 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 46 H 8.59 4.15 0.00 3.22 3.46 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.89 4.25 0.00 1.78 1.41 0.00 3.03 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 48 L 7.79 5.20 0.00 1.33 1.47 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.56 5.06 0.00 2.95 2.97 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 50 C 8.95 5.39 0.00 3.07 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 51 A 8.97 4.85 1.01 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 0.00 0.00 52 D 8.48 4.80 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.13 2.07 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 54 K 7.95 4.07 0.00 1.76 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.33 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 55 E 7.90 4.21 0.00 1.87 1.70 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 2.40 2.32 0.00 56 Q 8.66 4.00 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.75 0.00 57 W 8.12 4.20 0.00 3.59 3.29 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 0.00 58 V 6.60 2.71 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 0.61 0.00 0.00 -0.52 0.00 0.00 59 K 7.49 3.73 0.00 1.88 1.75 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.56 7.81 60 D 8.30 4.28 0.00 2.90 2.75 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 61 A 8.25 4.02 1.41 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 0.00 0.00 62 M 8.24 3.25 0.00 1.29 1.87 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.14 0.00 63 Q 8.09 3.99 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 64 H 8.52 4.18 0.00 3.35 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.09 4.10 0.00 2.19 1.97 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.14 4.51 0.00 2.97 2.80 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 0.00 0.00 0.00 67 R 7.71 4.29 0.00 1.89 1.92 0.00 3.07 0.00 0.00 3.13 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 68 Q 8.45 4.22 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00