NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4986 8.3049 120.3272 54.2785 34.1124 175.3771 2 S 4.4656 7.5527 110.1482 57.7286 66.7376 173.4572 3 T 4.5838 8.2081 119.8939 62.2479 73.1453 173.6557 4 K 4.2128 8.2111 121.4988 56.3153 33.0795 173.5065 5 L 4.5152 8.0643 124.1677 55.4812 42.0220 174.5107 6 Y 4.3390 8.0870 118.4620 56.9633 39.9594 174.8959 7 G 4.3570 8.4194 119.2457 45.6497 0.0000 171.8982 8 D 4.3337 7.8113 116.9971 54.4007 41.9977 176.2490 9 V 3.8222 8.5011 123.7597 64.6270 32.1535 177.8978 10 N 5.4242 8.1327 113.9381 52.0609 37.6906 173.9859 11 D 4.9031 7.9138 114.5687 55.3227 38.6105 173.7729 12 D 4.7044 8.4050 117.8095 55.7640 41.7539 175.4902 13 G 4.2951 7.8221 107.6069 45.1980 0.0000 172.4898 14 K 4.5905 7.4969 116.4301 56.1724 35.2676 174.0835 15 V 4.4226 8.0432 121.5855 60.9451 32.0138 174.6911 16 N 4.8364 8.1772 123.4313 51.9300 39.9113 174.4802 17 S 4.0728 9.0578 111.9278 62.0593 62.6156 177.3470 18 T 3.8802 7.9823 115.8889 66.7358 68.5493 175.5812 19 D 4.8356 8.1259 120.0826 54.5104 41.5943 178.7207 20 A 4.0060 7.6805 125.3153 55.0655 18.0092 180.5429 21 V 3.5457 7.8987 110.5340 65.0254 31.6679 178.6044 22 A 4.0707 7.9858 119.4504 54.7150 18.2016 178.8360 23 L 3.8629 7.7144 118.9347 58.3902 42.2465 178.9140 24 K 3.8438 8.8150 119.4902 59.9999 31.9105 179.0022 25 R 4.0314 7.5528 116.4316 59.0427 30.2143 177.9900 26 Y 4.7622 8.4880 121.5508 59.6359 38.7533 177.2052 27 V 3.7309 8.9025 120.1432 66.3457 31.5876 178.1060 28 L 4.1991 7.6869 117.4906 56.3251 42.0440 177.0900 29 R 4.4534 7.3254 112.8444 55.6174 32.9092 174.9846 30 S 4.3557 8.1789 116.0961 57.2706 61.6114 173.8949 31 G 3.8358 7.5916 111.4457 46.9962 0.0000 172.8625 32 I 3.8808 7.5665 112.0010 60.5729 38.0731 174.9818 33 S 4.7725 8.4694 116.8728 56.7098 64.4666 173.8450 34 I 4.8516 8.0256 117.4166 59.0000 40.9339 175.5489 35 N 4.7050 8.0079 118.3185 53.1251 36.5522 176.6613 36 T 3.8090 7.7852 114.2472 64.4365 67.5587 174.2377 37 D 4.2146 6.6399 117.7895 57.2006 41.6266 177.1120 38 N 4.8564 7.6601 115.3079 52.6116 38.4760 177.5878 39 A 3.7160 7.6513 122.5969 56.1537 19.2898 178.4220 40 D 4.6973 7.6658 115.2299 53.9325 42.2180 176.7953 41 L 4.7480 8.1923 122.7059 54.9114 43.6399 176.9968 42 N 4.8658 8.6138 113.0766 53.4207 40.2658 174.0394 43 E 4.4031 8.3728 114.5538 56.7976 27.2514 175.3710 44 D 4.7703 9.6403 120.0315 55.2502 43.3491 176.9151 45 G 4.3184 8.5679 109.5408 45.8383 0.0000 174.1103 46 R 4.6240 7.9189 117.0701 55.9641 35.4718 177.2135 47 V 5.2304 8.4556 114.5035 58.9448 33.5626 174.4849 48 N 4.5240 8.8173 120.5843 53.9260 37.9221 177.8035 49 S 5.8702 7.5586 125.9562 59.3623 63.4469 179.3644 50 T 4.0048 7.9038 116.5432 66.4361 68.5074 176.4571 51 D 4.5520 8.0786 120.2974 57.1655 40.4764 177.9215 52 L 3.9034 8.1497 120.1819 59.2724 41.9166 178.6660 53 G 3.7130 7.9694 102.0724 48.2024 0.0000 174.6789 54 I 3.6856 7.7951 118.7596 63.7006 37.6210 177.7337 55 L 4.2113 8.6163 119.8041 57.8999 41.3696 179.5100 56 K 4.1030 9.1995 117.5573 58.7173 32.4824 178.2350 57 R 4.1572 7.8213 120.3676 58.8693 30.6883 176.9725 58 Y 4.4099 8.7106 118.5246 59.3269 38.4355 177.5571 59 I 3.1679 7.3902 113.8305 62.7013 37.3864 177.2889 60 L 3.9877 7.7092 121.8131 57.9444 41.9052 176.0444 61 K 4.3316 8.2404 122.6818 57.5175 36.2826 176.6049 62 E 3.8487 8.1595 119.0129 58.6474 29.4973 175.0183 63 I 4.1297 6.7918 119.2772 62.1426 36.9522 174.0533 64 D 5.4785 7.6129 135.0000 55.3536 41.4724 177.1142 65 T 4.0931 7.1844 109.8332 61.9230 69.7242 169.7055 66 L 3.0771 7.7807 130.7947 53.4849 42.0137 173.3123 67 P 4.4238 0.0000 0.0000 62.5596 30.0103 175.9061 68 Y 4.0479 7.7363 119.5337 59.6553 38.4031 175.6725 69 K 3.0064 5.7867 125.2400 55.6301 30.0400 172.9193 70 N 4.6943 8.9078 123.8689 52.4585 39.6492 175.1963 71 G 3.6145 9.0660 113.6820 45.3376 0.0000 173.0616 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 1 M 8.30 4.50 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 S 7.55 4.47 0.00 3.89 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 3 T 8.21 4.58 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 4 K 8.21 4.21 0.00 1.67 1.71 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.35 7.81 5 L 8.06 4.52 0.00 1.95 1.63 1.02 0.57 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 6 Y 8.09 4.34 0.00 2.94 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 7 G 8.42 4.36 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 0.00 8 D 7.81 4.33 0.00 2.70 2.55 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 9 V 8.50 3.82 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 0.99 0.00 0.00 0.90 0.00 0.00 10 N 8.13 5.42 0.00 2.83 2.85 0.00 0.00 6.15 8.21 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 11 D 7.91 4.90 0.00 2.79 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 12 D 8.40 4.70 0.00 2.60 2.87 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 13 G 7.82 4.30 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 0.00 14 K 7.50 4.59 0.00 1.93 1.99 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.23 7.81 15 V 8.04 4.42 2.20 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 0.84 0.00 0.00 0.87 0.00 0.00 16 N 8.18 4.84 0.00 2.67 2.85 0.00 0.00 5.74 7.60 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 17 S 9.06 4.07 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.98 3.88 4.22 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 1.20 0.00 0.00 19 D 8.13 4.84 0.00 2.66 2.64 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 20 A 7.68 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.55 2.09 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 0.81 0.00 0.00 0.90 0.00 0.00 22 A 7.99 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.86 0.00 1.91 1.81 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.82 3.84 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 25 R 7.55 4.03 0.00 2.07 2.02 0.00 3.28 0.00 0.00 3.43 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 26 Y 8.49 4.76 0.00 3.15 3.09 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 27 V 8.90 3.73 2.15 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 0.94 0.00 0.00 1.08 0.00 0.00 28 L 7.69 4.20 0.00 1.86 1.70 0.97 0.65 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 29 R 7.33 4.45 0.00 1.87 1.94 0.00 2.89 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 30 S 8.18 4.36 0.00 3.70 3.70 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 0.00 0.00 0.00 31 G 7.59 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 3.88 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.94 0.00 0.00 33 S 8.47 4.77 0.00 3.86 3.83 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 34 I 8.03 4.85 1.95 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.77 0.97 0.00 0.00 35 N 8.01 4.70 0.00 2.76 2.80 0.00 0.00 7.34 7.25 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 36 T 7.79 3.81 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 1.29 0.00 0.00 37 D 6.64 4.21 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.66 4.86 0.00 2.61 2.88 0.00 0.00 5.75 7.37 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 39 A 7.65 3.72 1.24 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 0.00 0.00 40 D 7.67 4.70 0.00 2.88 2.51 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 0.00 41 L 8.19 4.75 0.00 1.73 1.66 0.40 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.61 4.87 0.00 3.08 2.79 0.00 0.00 7.27 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 43 E 8.37 4.40 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 2.24 2.28 0.00 44 D 9.64 4.77 0.00 2.62 2.71 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 45 G 8.57 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 0.00 0.00 0.00 0.00 46 R 7.92 4.62 0.00 1.61 1.54 0.00 2.21 0.00 0.00 2.59 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.23 0.00 47 V 8.46 5.23 2.18 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 0.59 0.00 0.00 0.93 0.00 0.00 48 N 8.82 4.52 0.00 2.83 2.99 0.00 0.00 6.44 7.68 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 49 S 7.56 5.87 0.00 3.99 3.98 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 50 T 7.90 4.00 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 1.24 0.00 0.00 51 D 8.08 4.55 0.00 2.82 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 52 L 8.15 3.90 0.00 1.71 1.69 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.97 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 54 I 7.80 3.69 1.93 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 1.67 1.34 1.11 0.00 0.00 55 L 8.62 4.21 0.00 1.93 1.60 1.10 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.20 4.10 0.00 1.85 1.88 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.46 7.81 57 R 7.82 4.16 0.00 1.90 1.99 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 58 Y 8.71 4.41 0.00 3.00 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 59 I 7.39 3.17 1.47 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.09 -0.73 0.00 0.00 60 L 7.71 3.99 0.00 1.81 1.72 0.93 0.54 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 61 K 8.24 4.33 0.00 1.89 1.96 0.00 1.39 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.40 7.81 62 E 8.16 3.85 0.00 2.25 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 0.00 2.42 2.34 0.00 63 I 6.79 4.13 2.06 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 1.02 0.00 0.00 64 D 7.61 5.48 0.00 2.74 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.18 4.09 4.22 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 1.17 0.00 0.00 66 L 7.78 3.08 0.00 0.27 0.86 -0.40 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.42 0.00 2.08 1.96 0.00 3.86 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 1.96 2.11 0.00 68 Y 7.74 4.05 0.00 3.06 3.09 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 69 K 5.79 3.01 0.00 1.73 1.75 0.00 1.48 0.00 0.00 1.47 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.38 7.81 70 N 8.91 4.69 0.00 3.00 2.90 0.00 0.00 7.36 8.02 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 71 G 9.07 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00