NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3373 8.2993 120.1342 56.4415 34.2607 175.3747 3 S 4.4894 7.4711 109.9247 56.3805 65.5491 172.7177 4 L 4.1115 8.7302 121.5715 57.3572 42.4695 178.7909 5 G 4.2749 7.6726 104.2331 43.8652 0.0000 171.4043 6 R 4.5851 8.4191 117.7798 54.2852 32.6865 175.0636 7 H 4.8220 8.7456 121.4504 54.2907 32.1287 172.1382 8 L 4.4008 8.6766 127.1825 53.2236 42.5825 176.1439 9 V 4.0693 8.2916 123.9354 61.1602 31.7916 174.3763 10 A 4.7847 8.3333 129.9213 50.1848 21.3416 174.8797 11 E 4.3935 8.7416 121.1830 54.5209 31.0192 175.5062 12 F 4.7730 8.4974 123.0154 55.8872 40.6117 174.8446 13 Y 4.8982 8.1734 122.6037 56.9463 40.7547 174.7056 14 E 3.8065 8.8222 118.1625 57.7594 27.0898 174.7833 15 C 4.3834 7.9336 114.5264 58.7498 29.6685 173.9335 16 D 4.4483 8.4384 119.5971 54.3511 40.9899 176.6664 17 R 4.0025 8.5788 127.3858 59.1961 30.2586 178.5922 18 E 4.1249 8.2688 118.2575 59.2804 29.5775 179.1740 19 V 3.6152 8.2301 118.3132 66.0945 31.3983 178.0787 20 L 4.1324 7.8276 117.4707 57.0353 41.3841 177.9641 21 D 5.1142 7.5498 116.0635 53.0282 42.0566 175.7368 22 N 4.8051 7.8943 118.8680 51.0579 38.8271 175.2363 23 V 3.6782 8.1752 126.3924 64.5472 31.3484 178.3049 24 Q 3.8456 7.9972 118.2229 58.7920 28.6875 178.1427 25 L 3.9238 8.4259 121.5947 58.0760 42.0218 178.9745 26 I 3.6632 7.8635 119.9119 64.3419 37.0708 178.0003 27 E 2.5400 7.5089 119.5620 58.5450 29.2769 178.5569 28 Q 3.8344 7.5705 119.1534 59.4514 29.1916 178.3678 29 E 4.0446 8.4764 119.8053 59.4580 29.4342 179.3548 30 M 4.1604 8.2894 119.3110 58.2745 32.0494 178.9100 31 K 4.0767 8.1779 118.7529 59.4056 32.1994 179.2134 32 Q 4.0049 8.2212 119.7483 59.1643 29.0412 178.1620 33 A 4.1257 8.3148 121.6570 55.0351 18.1561 179.4652 34 A 3.9740 7.8662 118.5907 55.3758 18.7691 178.9294 35 Y 4.1683 8.1841 118.0444 61.0683 38.7291 178.1755 36 E 3.9580 8.6004 118.6977 59.2762 29.6039 179.1194 37 S 4.3176 7.8868 113.0495 59.4254 63.3908 175.3771 38 G 3.7422 7.7940 110.0958 44.7938 0.0000 173.2934 39 A 4.4369 7.2776 121.0035 51.8645 19.6901 177.4426 40 T 4.4580 9.0491 117.2659 62.5438 70.4444 174.2724 41 I 4.3466 8.3572 126.8941 61.1683 37.7546 175.3322 42 V 4.1184 8.9876 127.5863 64.7591 32.5099 175.4251 43 T 4.7417 7.5487 112.4851 61.3007 71.2150 171.6061 44 S 5.2363 8.3726 118.1366 57.2990 65.8292 173.1322 45 T 4.7405 8.7660 121.2649 60.8845 70.7618 172.1992 46 F 5.2325 9.0492 126.8076 55.8583 42.5663 173.7224 47 H 4.7753 9.5118 122.9505 54.2195 32.7647 172.3379 48 R 4.7504 7.9822 125.3318 54.8099 31.0577 175.2753 49 F 4.8080 8.8292 125.5897 56.4648 40.5567 175.4845 50 L 4.8565 8.4115 120.8702 52.1848 44.1160 175.4634 51 P 4.2804 0.0000 0.0000 65.2318 31.5854 175.5425 52 Y 4.9496 7.0740 114.8075 55.8814 40.9658 173.2997 53 G 4.4005 8.8123 107.9144 44.1923 0.0000 173.3724 54 V 5.1886 8.2942 120.4432 61.4281 34.8285 174.0409 55 S 5.0013 9.2186 123.4801 57.0515 66.2144 173.3051 56 G 3.5794 8.2415 108.2495 45.0055 0.0000 172.8243 57 V 4.4091 7.3886 121.2978 59.5786 35.2255 174.2770 58 V 4.6633 8.2930 123.3736 61.0402 33.5938 174.7618 59 V 4.0300 8.5779 129.8916 62.5019 32.4978 175.0676 60 I 5.1980 8.3431 120.5467 59.2039 41.0866 173.6879 61 S 4.7031 9.1022 116.2914 56.1798 67.1668 174.3864 62 E 4.0987 8.8947 118.1683 57.1242 29.2423 177.5499 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 2 K 8.30 4.34 0.00 1.74 1.94 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 S 7.47 4.49 0.00 4.01 3.79 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 4 L 8.73 4.11 0.00 1.66 1.77 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.67 4.27 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 0.00 6 R 8.42 4.59 0.00 1.78 1.83 0.00 3.16 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 7 H 8.75 4.82 0.00 3.01 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.68 4.40 0.00 1.70 1.62 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.29 4.07 2.02 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 0.77 0.00 0.00 0.71 0.00 0.00 10 A 8.33 4.78 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 11 E 8.74 4.39 0.00 1.76 1.26 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 2.21 2.30 0.00 12 F 8.50 4.77 0.00 2.77 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.17 4.90 0.00 2.95 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 14 E 8.82 3.81 0.00 2.14 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 0.00 2.25 2.37 0.00 15 C 7.93 4.38 0.00 3.02 2.94 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 16 D 8.44 4.45 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.58 4.00 0.00 1.81 1.96 0.00 3.24 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 18 E 8.27 4.12 0.00 2.15 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 2.41 2.31 0.00 19 V 8.23 3.62 2.27 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 1.06 0.00 0.00 1.03 0.00 0.00 20 L 7.83 4.13 0.00 1.86 1.76 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.55 5.11 0.00 2.65 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 22 N 7.89 4.81 0.00 2.93 2.80 0.00 0.00 6.97 7.76 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 23 V 8.18 3.68 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 0.76 0.00 0.00 0.99 0.00 0.00 24 Q 8.00 3.85 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 25 L 8.43 3.92 0.00 1.79 1.78 0.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.86 3.66 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 1.06 0.00 0.00 27 E 7.51 2.54 0.00 1.16 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 1.98 1.53 0.00 28 Q 7.57 3.83 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 29 E 8.48 4.04 0.00 1.98 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 2.56 2.49 0.00 30 M 8.29 4.16 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.96 0.00 31 K 8.18 4.08 0.00 1.92 1.87 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.58 7.81 32 Q 8.22 4.00 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 33 A 8.31 4.13 1.43 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 34 A 7.87 3.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.18 4.17 0.00 3.09 3.23 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 36 E 8.60 3.96 0.00 2.10 2.02 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 2.73 2.54 0.00 37 S 7.89 4.32 0.00 4.05 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 38 G 7.79 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 39 A 7.28 4.44 1.26 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 0.00 0.00 40 T 9.05 4.46 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 1.23 0.00 0.00 41 I 8.36 4.35 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.96 0.00 0.00 42 V 8.99 4.12 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 0.72 0.00 0.00 0.94 0.00 0.00 43 T 7.55 4.74 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 1.21 0.00 0.00 44 S 8.37 5.24 0.00 4.00 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 45 T 8.77 4.74 4.23 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 1.10 0.00 0.00 46 F 9.05 5.23 0.00 2.90 2.94 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 47 H 9.51 4.78 0.00 2.96 2.87 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.98 4.75 0.00 1.77 1.67 0.00 3.40 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 49 F 8.83 4.81 0.00 3.21 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 L 8.41 4.86 0.00 1.61 1.51 0.91 1.03 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 51 P 0.00 4.28 0.00 1.78 1.94 0.00 3.37 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 0.49 1.35 0.00 52 Y 7.07 4.95 0.00 3.08 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 53 G 8.81 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 0.00 0.00 0.00 0.00 54 V 8.29 5.19 2.30 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 1.03 0.00 0.00 1.10 0.00 0.00 55 S 9.22 5.00 0.00 4.12 3.81 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 56 G 8.24 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 4.41 1.92 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 0.59 0.00 0.00 0.84 0.00 0.00 58 V 8.29 4.66 2.14 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 0.93 0.00 0.00 1.16 0.00 0.00 59 V 8.58 4.03 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 0.80 0.00 0.00 0.90 0.00 0.00 60 I 8.34 5.20 1.95 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 1.40 0.85 0.99 0.00 0.00 61 S 9.10 4.70 0.00 3.81 3.96 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 0.00 0.00 0.00 62 E 8.89 4.10 0.00 1.97 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 2.32 2.34 0.00