NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2784 8.4293 121.4704 55.3282 30.9319 175.7293 5 P 4.3800 0.0000 0.0000 61.4196 33.0999 176.1288 6 C 4.4633 8.2281 123.7569 58.5703 29.3120 175.4577 7 V 3.8270 7.5529 122.7747 63.2613 31.7769 177.8884 8 E 4.0635 8.1639 119.7949 59.2401 29.2484 178.9612 9 S 4.2009 7.7416 116.0129 60.7105 63.1915 176.5909 10 L 3.6134 7.7480 122.6249 57.3751 41.5220 179.5587 11 V 3.6651 7.5398 117.9343 65.6683 31.0062 178.1355 12 S 4.2528 8.1663 114.4022 61.5352 63.0115 176.4726 13 Q 3.9912 7.8654 121.6815 58.7107 28.4602 178.6052 14 Y 4.3330 7.5275 117.3668 61.2505 38.1357 178.1685 15 F 4.5420 8.3161 117.4178 59.7111 39.1176 177.4540 16 Q 4.3417 8.1016 119.3879 57.8619 28.6979 178.2208 17 T 4.1188 7.7550 118.3828 65.7329 68.4443 177.0536 18 V 3.7560 7.7228 120.0341 66.0127 31.1250 178.3098 19 T 3.9088 7.4382 114.4057 66.7263 68.1925 176.3036 20 D 4.4122 7.7477 120.3617 57.6331 40.8235 178.5305 21 Y 4.7927 7.2878 118.7254 60.6396 37.8393 178.8745 22 G 3.7068 8.3091 106.7389 47.6038 0.0000 176.0465 23 K 4.0976 8.3109 121.0043 59.3481 31.8144 179.2080 24 D 4.5312 8.4209 119.5733 57.3721 40.8768 178.8016 25 L 4.1353 8.0092 119.5208 57.8757 41.5026 179.5129 26 M 4.1825 7.9951 118.7504 58.5597 31.4668 178.6806 27 E 4.0219 8.4239 118.7937 59.2801 29.4052 179.3250 28 K 4.1496 8.1336 117.0336 58.1114 31.8994 178.3071 29 V 4.2302 7.2170 116.3200 63.4100 32.5191 177.4567 30 K 4.4997 8.4747 119.3073 58.2181 32.0819 179.2065 31 S 4.2868 7.7555 114.7186 60.9523 62.3544 174.8454 32 P 4.3241 0.0000 0.0000 64.8994 30.9679 178.0236 33 E 4.2577 7.9494 117.5479 58.2794 30.0668 176.8778 34 L 4.9972 7.5960 117.9575 52.5233 43.3094 174.6068 35 Q 4.5004 7.8059 122.8532 55.5269 36.6428 175.5065 36 A 3.9923 8.9887 118.5750 55.7194 19.6635 178.4426 37 E 3.6869 7.7906 117.4737 56.9577 29.1001 178.3899 38 A 3.6701 7.5565 120.1276 55.7576 18.9150 179.9308 39 K 3.9265 7.4360 115.4861 59.2775 32.1822 179.8013 40 S 4.4219 7.3212 115.3313 60.8315 62.8031 176.0797 41 Y 4.3924 6.6329 120.1579 60.6263 37.3437 177.8992 42 F 4.6487 7.4785 119.9975 59.9354 38.7787 177.5994 43 E 4.0732 8.2032 117.7218 59.5640 29.2570 179.4058 44 K 4.1699 7.9736 117.2767 59.4549 32.3142 179.2460 45 S 4.3055 8.3779 114.6432 61.4930 62.8291 176.7071 46 K 4.2631 7.9865 121.6129 58.5469 31.5432 178.0235 47 E 4.3105 7.7587 117.4501 56.5799 29.8472 177.0692 48 Q 4.3950 7.7479 118.5310 56.8504 32.0412 177.4733 49 L 4.0093 7.9696 118.8099 58.2956 41.9932 179.2196 50 T 3.9548 7.9912 115.7265 66.1244 68.5907 175.3811 51 P 4.3681 0.0000 0.0000 65.0139 31.1379 178.5542 52 L 4.0900 7.6424 117.8010 58.4563 40.4956 179.1232 53 I 3.9680 7.1943 118.2326 64.0362 37.3953 178.0354 54 K 4.1960 8.0633 118.1404 58.0749 31.7563 179.1087 55 K 4.0024 8.0481 120.5160 58.9997 32.0623 178.0047 56 A 4.2623 7.9199 120.3814 54.0277 18.0384 179.2837 57 G 3.5505 7.9030 105.2953 47.8168 0.0000 175.7076 58 T 4.2542 7.5702 116.9981 62.3706 67.6705 175.5789 59 E 3.9332 7.5303 120.5080 58.7874 30.4185 177.1306 60 L 4.4892 7.7020 118.1771 56.9763 42.6344 179.1326 61 V 3.6761 7.4495 118.1818 66.1868 31.1670 177.8684 62 N 4.4455 7.9456 115.8080 56.2007 38.4406 177.1704 63 F 4.4032 7.8062 119.1630 60.5610 38.9904 177.4991 64 L 4.2671 7.8362 117.9453 58.0374 41.4423 179.6244 65 S 4.1819 8.2308 112.4219 61.6087 62.5663 175.5257 66 Y 3.9699 8.2248 119.5837 61.2802 37.5032 178.8535 67 F 4.2954 8.3835 118.6078 60.5259 39.1395 177.9543 68 V 3.6992 8.0640 117.9675 66.0241 31.2930 177.9839 69 E 4.0049 8.3258 118.3407 59.2868 29.1745 178.5747 70 L 4.5317 7.7859 115.4699 55.3422 42.0024 178.0255 71 G 4.1159 7.7491 104.8082 44.6979 0.0000 174.5241 72 T 4.4524 7.6453 116.5025 65.2673 69.9341 176.4401 73 Q 4.0264 7.6924 118.1961 58.6486 28.8225 176.5004 74 P 4.3438 0.0000 0.0000 65.3120 31.7132 177.6269 75 A 4.1383 7.9244 120.1832 55.0878 18.7219 177.2528 76 T 4.0997 7.6503 115.9941 63.9851 68.4372 174.3364 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 E 8.43 4.28 0.00 1.94 1.99 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 2.19 2.31 0.00 5 P 0.00 4.38 0.00 2.30 2.03 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 6 C 8.23 4.46 0.00 3.00 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 7 V 7.55 3.83 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 0.82 0.00 0.00 0.94 0.00 0.00 8 E 8.16 4.06 0.00 2.02 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 2.41 2.37 0.00 9 S 7.74 4.20 0.00 3.95 4.08 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 0.00 0.00 0.00 0.00 10 L 7.75 3.61 0.00 1.70 1.33 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.54 3.67 2.16 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 1.37 0.00 0.00 1.06 0.00 0.00 12 S 8.17 4.25 0.00 4.10 4.18 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 13 Q 7.87 3.99 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 14 Y 7.53 4.33 0.00 3.08 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.54 0.00 3.11 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 16 Q 8.10 4.34 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 17 T 7.75 4.12 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 0.72 0.00 0.00 18 V 7.72 3.76 2.39 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 1.17 0.00 0.00 1.09 0.00 0.00 19 T 7.44 3.91 4.46 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 1.22 0.00 0.00 20 D 7.75 4.41 0.00 2.60 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 21 Y 7.29 4.79 0.00 3.24 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 22 G 8.31 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 0.00 0.00 0.00 0.00 23 K 8.31 4.10 0.00 2.02 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 24 D 8.42 4.53 0.00 2.95 2.77 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 25 L 8.01 4.14 0.00 1.94 1.74 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.00 4.18 0.00 2.10 2.29 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 2.88 2.60 0.00 27 E 8.42 4.02 0.00 2.18 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 0.00 2.34 2.58 0.00 28 K 8.13 4.15 0.00 1.92 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.69 7.81 29 V 7.22 4.23 2.19 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 1.08 0.00 0.00 1.01 0.00 0.00 30 K 8.47 4.50 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.49 7.81 31 S 7.76 4.29 0.00 4.07 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 32 P 0.00 4.32 0.00 2.42 2.34 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 33 E 7.95 4.26 0.00 2.24 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 0.00 2.34 2.57 0.00 34 L 7.60 5.00 0.00 1.60 1.59 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.81 4.50 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 36 A 8.99 3.99 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 37 E 7.79 3.69 0.00 2.28 1.87 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 2.32 2.28 0.00 38 A 7.56 3.67 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 39 K 7.44 3.93 0.00 2.06 1.94 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.68 1.50 7.81 40 S 7.32 4.42 0.00 3.96 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 41 Y 6.63 4.39 0.00 2.66 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 42 F 7.48 4.65 0.00 3.34 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.07 0.00 2.20 2.03 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 2.45 2.67 0.00 44 K 7.97 4.17 0.00 1.82 1.92 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.66 7.81 45 S 8.38 4.31 0.00 4.13 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 46 K 7.99 4.26 0.00 2.04 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.75 7.81 47 E 7.76 4.31 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 48 Q 7.75 4.39 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 49 L 7.97 4.01 0.00 1.94 1.68 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.99 3.95 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 51 P 0.00 4.37 0.00 2.16 2.10 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 52 L 7.64 4.09 0.00 1.82 1.81 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.19 3.97 2.02 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 1.53 1.56 0.92 0.00 0.00 54 K 8.06 4.20 0.00 1.86 1.84 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 55 K 8.05 4.00 0.00 2.00 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 56 A 7.92 4.26 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 57 G 7.90 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 4.25 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 59 E 7.53 3.93 0.00 1.91 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 0.00 2.28 2.28 0.00 60 L 7.70 4.49 0.00 1.92 1.78 0.97 0.96 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 61 V 7.45 3.68 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 1.05 0.00 0.00 0.94 0.00 0.00 62 N 7.95 4.45 0.00 2.46 2.64 0.00 0.00 7.17 8.13 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 63 F 7.81 4.40 0.00 3.43 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 64 L 7.84 4.27 0.00 2.22 1.85 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.23 4.18 0.00 4.01 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 66 Y 8.22 3.97 0.00 2.98 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 67 F 8.38 4.30 0.00 3.26 3.08 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 0.00 0.00 0.00 0.00 68 V 8.06 3.70 2.29 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 1.08 0.00 0.00 1.05 0.00 0.00 69 E 8.33 4.00 0.00 2.17 1.93 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 2.30 2.56 0.00 70 L 7.79 4.53 0.00 1.76 1.74 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.75 4.12 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 0.00 0.00 0.00 72 T 7.65 4.45 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 1.22 0.00 0.00 73 Q 7.69 4.03 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 74 P 0.00 4.34 0.00 2.05 2.12 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 75 A 7.92 4.14 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 76 T 7.65 4.10 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 1.21 0.00 0.00