NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.6658 8.4293 120.3936 55.3671 30.4593 175.3533 5 P 4.5328 0.0000 0.0000 59.1351 31.8228 169.7874 6 V 4.2388 8.6197 124.6091 60.9408 34.9591 175.6438 7 P 4.2657 0.0000 0.0000 60.7271 33.6226 176.2710 8 K 4.3575 7.5818 123.7109 56.9335 36.5817 175.9896 9 K 4.4315 7.5084 126.5833 54.8551 33.3054 172.6335 10 K 3.4847 8.2795 117.6768 61.6987 32.5547 177.9164 11 T 3.4438 7.1704 111.3112 64.0337 66.2497 172.7054 12 S 3.7188 8.7287 116.7356 57.2906 63.6351 172.0975 13 K 3.8226 9.1198 118.7006 60.6191 31.5794 179.8926 14 A 3.1629 7.6221 112.6562 51.9157 20.0982 178.8450 15 R 3.8285 7.2231 116.8733 59.1739 30.1140 179.6773 16 R 3.7350 8.1112 119.9942 58.6667 30.5314 177.5092 17 D 4.3224 9.1975 119.3918 57.3602 40.9184 180.2933 18 A 3.6576 8.3932 120.0975 54.6673 19.3951 178.9032 19 R 3.8273 8.3732 116.9288 58.8596 30.1970 178.4131 20 R 4.1467 8.4794 119.1461 60.4229 29.8986 177.8310 21 S 4.2448 8.5004 115.3894 60.8141 62.7089 175.0504 22 H 4.2361 8.5594 125.6690 59.3318 29.9853 176.4302 23 H 3.8476 8.4469 115.2198 55.0098 28.0881 175.0291 24 A 3.6012 6.3018 128.8197 51.6795 19.3357 178.2034 25 L 4.3162 8.0889 120.3243 55.5236 43.6542 175.0178 26 T 4.3269 7.8588 107.9247 60.9693 70.7518 170.0670 27 P 4.7947 0.0000 0.0000 60.5416 33.4646 172.3398 28 P 4.7930 0.0000 0.0000 61.3266 32.8109 175.0049 29 T 4.3702 8.3201 118.5807 62.8168 69.3590 174.0865 30 L 5.0825 8.2193 124.9403 53.4809 45.9327 176.7291 31 V 4.5167 8.7032 114.9678 59.9684 35.7724 172.4495 32 P 5.8500 0.0000 0.0000 60.9871 34.7120 175.5112 33 C 4.3263 10.0901 121.6896 56.5598 43.8075 173.0264 34 P 4.1868 0.0000 0.0000 64.7608 31.3119 175.4878 35 E 4.6265 7.5315 116.5129 58.0912 32.6610 177.5100 36 C 4.9182 7.3061 119.2774 58.9526 27.1866 174.5199 37 K 4.2442 8.3361 125.6689 56.7885 33.9003 176.9773 38 A 3.8916 7.3334 123.8319 45.6605 24.9794 176.5845 39 M 4.6176 8.5704 114.4343 55.7135 31.5759 175.6765 40 K 4.7182 9.0997 126.9225 53.8565 34.7757 172.8635 41 P 5.0017 0.0000 0.0000 60.6172 33.1447 173.7903 42 P 4.1849 0.0000 0.0000 60.6946 34.0667 178.3763 43 H 4.3058 8.7579 126.0402 57.6016 26.8139 174.1071 44 T 4.7241 8.1928 113.8553 61.6094 72.9423 176.5903 45 V 4.0750 9.4070 114.8616 60.4541 30.5841 178.3309 46 C 5.3078 9.2084 120.6585 55.6318 29.1986 172.6298 47 P 4.8043 0.0000 0.0000 61.8730 31.5227 176.0517 48 E 4.5873 9.6754 130.8887 57.6244 37.4300 177.7947 49 C 3.8939 9.0109 128.1381 58.7845 43.2067 175.5204 50 G 4.0316 8.1989 108.3278 45.7475 0.0000 173.0643 51 Y 4.4928 7.1361 120.3731 56.6727 40.7274 173.2156 52 Y 4.4110 9.1368 113.4204 56.7349 39.6470 173.5897 53 A 2.5800 7.8555 122.4984 53.0602 18.9813 176.3246 54 G 3.9090 7.7268 111.6167 46.5299 0.0000 171.7299 55 R 4.4249 8.1702 121.1192 54.9981 30.8917 178.3645 56 K 4.2150 8.3595 122.4122 56.5213 32.5108 177.1680 57 V 4.2176 7.2655 112.1595 60.4195 33.9234 175.6422 58 L 4.0954 8.5008 125.2903 56.5959 40.0023 172.2191 59 E 5.4513 8.4861 129.9768 55.5764 31.7210 177.2457 60 V 3.8363 8.2292 122.5382 61.3241 30.8349 170.1805 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 H 8.43 4.67 0.00 3.10 2.84 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.53 0.00 2.21 1.94 0.00 3.67 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 6 V 8.62 4.24 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 0.79 0.00 0.00 0.93 0.00 0.00 7 P 0.00 4.27 0.00 2.12 2.04 0.00 3.70 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 1.99 2.12 0.00 8 K 7.58 4.36 0.00 1.68 1.77 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.29 7.81 9 K 7.51 4.43 0.00 1.87 1.78 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 1.27 7.81 10 K 8.28 3.48 0.00 1.89 2.05 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.13 7.81 11 T 7.17 3.44 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 12 S 8.73 3.72 0.00 3.99 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 13 K 9.12 3.82 0.00 1.80 1.87 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.49 7.81 14 A 7.62 3.16 1.29 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 0.00 0.00 15 R 7.22 3.83 0.00 2.02 2.32 0.00 2.81 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 16 R 8.11 3.74 0.00 2.02 2.09 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 17 D 9.20 4.32 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 3.66 1.35 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 0.00 0.00 19 R 8.37 3.83 0.00 1.89 2.02 0.00 3.16 0.00 0.00 3.10 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 20 R 8.48 4.15 0.00 2.05 1.98 0.00 3.16 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 21 S 8.50 4.24 0.00 4.09 3.80 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 22 H 8.56 4.24 0.00 3.10 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.45 3.85 0.00 3.57 2.99 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 6.30 3.60 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.32 0.00 1.60 1.63 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.86 4.33 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 27 P 0.00 4.79 0.00 2.19 2.09 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 28 P 0.00 4.79 0.00 2.19 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 29 T 8.32 4.37 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 30 L 8.22 5.08 0.00 1.45 1.51 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.70 4.52 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 0.78 0.00 0.00 1.03 0.00 0.00 32 P 0.00 5.85 0.00 2.06 2.00 0.00 3.41 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 33 C 10.09 4.33 0.00 3.03 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 34 P 0.00 4.19 0.00 2.28 2.24 0.00 3.75 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 2.14 2.02 0.00 35 E 7.53 4.63 0.00 2.26 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 0.00 2.03 2.20 0.00 36 C 7.31 4.92 0.00 2.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.24 0.00 1.78 1.53 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 A 7.33 3.89 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 M 8.57 4.62 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 40 K 9.10 4.72 0.00 1.83 1.71 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.33 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.56 1.42 7.81 41 P 0.00 5.00 0.00 2.14 2.04 0.00 3.87 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 1.96 2.01 0.00 42 P 0.00 4.18 0.00 2.07 1.46 0.00 3.96 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 43 H 8.76 4.31 0.00 3.10 3.30 0.00 5.58 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.19 4.72 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 V 9.41 4.08 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 0.88 0.00 0.00 0.97 0.00 0.00 46 C 9.21 5.31 0.00 3.17 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 47 P 0.00 4.80 0.00 2.17 2.18 0.00 3.78 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 1.97 1.99 0.00 48 E 9.68 4.59 0.00 1.77 1.12 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 2.10 2.16 0.00 49 C 9.01 3.89 0.00 2.90 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 50 G 8.20 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 51 Y 7.14 4.49 0.00 2.91 2.83 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 52 Y 9.14 4.41 0.00 2.90 2.99 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 53 A 7.86 2.58 1.12 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 54 G 7.73 3.91 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 0.00 0.00 0.00 55 R 8.17 4.42 0.00 1.89 1.77 0.00 3.19 0.00 0.00 3.11 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.14 0.00 56 K 8.36 4.22 0.00 2.05 2.25 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.46 7.81 57 V 7.27 4.22 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 0.72 0.00 0.00 0.99 0.00 0.00 58 L 8.50 4.10 0.00 1.61 1.99 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.49 5.45 0.00 2.04 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 2.04 2.06 0.00 60 V 8.23 3.84 2.07 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 0.66 0.00 0.00 0.93 0.00 0.00