NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3531 8.1744 110.9428 61.7538 70.5218 174.0299 6 N 4.7369 8.1436 119.5441 52.1920 38.5176 171.3055 7 S 4.8081 8.5566 119.0161 56.0270 66.8931 173.1769 8 D 4.8623 8.5271 121.1987 54.9932 41.8066 175.5120 9 F 5.3309 8.1079 114.1203 55.2906 41.6011 173.7788 10 V 4.4831 8.9557 118.7030 61.0213 34.9682 174.0553 11 V 4.8857 8.5977 125.9292 61.2320 34.0252 174.2993 12 I 4.9004 9.0751 128.5049 59.4341 40.4217 174.0948 13 K 5.0136 9.2362 129.1780 54.4116 34.4206 174.9667 14 A 4.5122 8.8061 130.0379 52.0427 19.2298 177.5270 15 L 4.6921 8.9303 122.4078 54.7238 42.5024 176.1087 16 E 4.6963 7.7415 115.5334 54.5917 32.4455 174.4881 17 D 4.3685 8.3962 119.4537 55.7955 41.2998 176.7966 18 G 3.8568 8.4917 109.3849 46.0708 0.0000 173.9451 19 V 3.8754 7.5272 119.5955 62.9008 32.8773 174.4746 20 N 5.3583 9.1190 124.9573 51.4484 41.4053 173.5854 21 V 4.6712 8.6918 124.1115 61.1998 33.9172 174.1946 22 I 4.6823 8.6087 129.3007 59.3589 40.0054 174.7999 23 G 4.1710 8.8633 115.1885 45.0278 0.0000 172.3096 24 L 5.5264 8.6744 125.3125 52.8569 44.2367 176.2315 25 T 4.6159 8.7911 114.6703 61.7876 69.3481 174.2541 26 R 4.3148 7.7749 125.4913 56.7119 29.6618 175.0251 27 G 3.7407 8.8401 109.5268 44.0645 0.0000 173.8993 28 A 4.2152 8.6380 121.4027 54.2348 18.6323 177.5089 29 D 4.7993 7.2977 113.2711 52.8771 42.6453 175.5890 30 T 4.7532 8.3789 122.4846 61.9546 70.7021 173.2194 31 R 4.5989 8.6252 121.8460 54.4964 33.7928 174.0389 32 F 5.2672 8.4485 118.8165 57.7995 39.0917 175.4263 33 H 4.9710 9.0519 118.6166 56.2804 30.2894 174.1116 34 H 4.8137 7.6852 117.5981 55.0513 33.3622 172.1060 35 S 4.7372 8.1713 118.8125 56.4787 64.7700 172.4981 36 E 4.4140 9.3052 130.0587 54.8439 30.8414 175.0104 37 K 4.6835 8.6439 127.3225 55.9298 33.3074 176.2141 38 L 4.8240 9.0709 126.1502 53.1083 43.9804 176.3199 39 D 4.9784 9.1507 124.2721 52.6560 43.0115 176.0881 40 K 4.0702 8.8168 122.1575 58.4780 32.3164 177.1077 41 G 4.0184 9.3366 115.7903 45.2087 0.0000 173.5345 42 E 4.2620 8.1172 119.4353 56.3073 30.8019 176.0574 43 V 4.9535 8.2662 121.4646 61.0295 34.5934 174.3154 44 L 4.7948 9.1060 129.1956 53.2417 45.1708 174.8724 45 I 5.0843 8.5205 126.1642 59.5828 39.4835 174.7366 46 A 4.6937 9.1143 129.2054 50.1768 22.0329 175.3269 47 Q 4.7775 8.6440 121.0204 54.8411 30.4798 175.8173 48 F 4.7523 8.3018 120.2713 58.1591 39.8247 175.0156 49 T 4.6698 8.7751 111.1655 60.2516 71.8928 173.1195 50 E 3.9943 8.9287 121.5624 59.4784 29.6970 177.2648 51 H 4.5750 8.1384 113.6802 56.4318 29.8172 174.2106 52 T 5.2170 8.0343 116.4067 61.9767 71.3925 174.3240 53 S 4.9801 8.9984 120.1283 58.0035 64.8239 173.4608 54 A 4.9701 7.8754 121.2159 51.2576 22.4592 175.2607 55 I 5.0231 8.6395 121.0734 59.3354 40.7334 174.7355 56 K 4.5919 8.9861 127.7573 54.4734 34.9664 174.6870 57 V 4.7546 8.3651 126.1906 61.1637 33.7956 174.5350 58 R 4.5269 8.8170 126.9021 55.2894 33.0348 175.5277 59 G 4.0479 9.0226 109.1569 43.8716 0.0000 172.6375 60 K 4.5596 8.9744 120.4665 55.9736 32.9517 175.5914 61 A 5.1388 8.9142 128.4239 50.7302 23.6009 173.6913 62 Y 4.7205 9.0991 121.4451 56.1155 40.6803 174.5903 63 I 5.0667 8.3055 127.5385 59.5295 40.9079 174.5117 64 Q 5.0502 8.9799 125.0751 54.3915 31.9993 174.8719 65 T 4.9141 8.5127 112.7447 59.5249 72.3977 174.4831 66 R 3.7231 8.5534 120.4529 59.3141 29.8706 176.5269 67 H 4.6675 7.8353 112.7837 55.0942 29.6736 173.6329 68 G 3.7650 7.3982 105.6940 44.0030 0.0000 172.6669 69 V 4.4982 8.0735 119.4557 61.7721 33.0637 176.4423 70 I 4.6689 8.4074 125.6658 59.4997 42.1059 173.1850 71 E 5.1183 8.5392 125.2094 54.4572 32.4052 175.8585 72 S 4.6020 8.7141 119.1764 57.8009 65.1196 172.8404 73 E 4.8988 8.6750 120.6992 54.1789 31.8206 176.4894 74 G 4.1606 8.6633 118.0585 45.7214 0.0000 173.8602 75 K 4.1766 8.5075 123.1721 56.5203 32.9499 175.8313 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 T 8.17 4.35 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 6 N 8.14 4.74 0.00 2.76 2.76 0.00 0.00 7.12 6.75 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 7 S 8.56 4.81 0.00 4.15 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 8 D 8.53 4.86 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 5.33 0.00 3.05 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 10 V 8.96 4.48 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 1.02 0.00 0.00 0.78 0.00 0.00 11 V 8.60 4.89 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 1.11 0.00 0.00 1.18 0.00 0.00 12 I 9.08 4.90 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.51 0.92 0.00 0.00 13 K 9.24 5.01 0.00 1.85 1.78 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81 14 A 8.81 4.51 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 15 L 8.93 4.69 0.00 1.65 1.73 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.74 4.70 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 17 D 8.40 4.37 0.00 2.69 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 18 G 8.49 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 19 V 7.53 3.88 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 0.79 0.00 0.00 0.99 0.00 0.00 20 N 9.12 5.36 0.00 2.57 2.59 0.00 0.00 6.26 8.54 0.00 0.00 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 8.69 4.67 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 0.92 0.00 0.00 0.90 0.00 0.00 22 I 8.61 4.68 1.43 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.48 -0.07 0.00 0.00 23 G 8.86 4.17 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 0.00 0.00 0.00 24 L 8.67 5.53 0.00 1.92 1.71 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.79 4.62 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 26 R 7.77 4.31 0.00 1.93 1.98 0.00 3.22 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.84 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 28 A 8.64 4.22 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 29 D 7.30 4.80 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.38 4.75 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 1.27 0.00 0.00 31 R 8.63 4.60 0.00 1.79 1.91 0.00 2.79 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 32 F 8.45 5.27 0.00 2.93 2.85 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 0.00 0.00 0.00 33 H 9.05 4.97 0.00 3.14 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.69 4.81 0.00 3.34 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.17 4.74 0.00 3.76 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 36 E 9.31 4.41 0.00 2.17 1.81 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 2.26 2.33 0.00 37 K 8.64 4.68 0.00 1.67 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.60 1.44 7.81 38 L 9.07 4.82 0.00 1.51 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.15 4.98 0.00 2.59 2.58 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 40 K 8.82 4.07 0.00 1.90 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.55 7.81 41 G 9.34 4.02 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 0.00 0.00 0.00 42 E 8.12 4.26 0.00 2.03 1.88 0.00 0.00 0.00 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 2.35 0.00 43 V 8.27 4.95 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 0.95 0.00 0.00 44 L 9.11 4.79 0.00 1.73 1.45 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 5.08 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.78 0.00 0.00 46 A 9.11 4.69 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 47 Q 8.64 4.78 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 48 F 8.30 4.75 0.00 3.05 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 49 T 8.78 4.67 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 1.26 0.00 0.00 50 E 8.93 3.99 0.00 1.92 1.96 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 2.12 2.29 0.00 51 H 8.14 4.58 0.00 3.27 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.03 5.22 4.38 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 1.42 0.00 0.00 53 S 9.00 4.98 0.00 3.88 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 54 A 7.88 4.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.64 5.02 1.87 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.84 0.00 0.00 56 K 8.99 4.59 0.00 1.72 1.38 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.30 7.81 57 V 8.37 4.75 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.89 0.00 0.00 58 R 8.82 4.53 0.00 1.73 1.75 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 59 G 9.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.97 4.56 0.00 1.89 1.72 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.91 5.14 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 62 Y 9.10 4.72 0.00 3.06 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 63 I 8.31 5.07 1.89 0.00 0.00 0.82 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 0.57 0.91 0.00 0.00 64 Q 8.98 5.05 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 65 T 8.51 4.91 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 1.16 0.00 0.00 66 R 8.55 3.72 0.00 1.60 1.76 0.00 3.16 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 67 H 7.84 4.67 0.00 3.18 3.25 0.00 5.69 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 68 G 7.40 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 0.00 0.00 0.00 69 V 8.07 4.50 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 0.17 0.00 0.00 0.86 0.00 0.00 70 I 8.41 4.67 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.42 0.84 0.00 0.00 71 E 8.54 5.12 0.00 1.83 1.82 0.00 0.00 0.00 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 2.15 0.00 72 S 8.71 4.60 0.00 3.95 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 73 E 8.67 4.90 0.00 1.84 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 2.20 2.27 0.00 74 G 8.66 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.51 4.18 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.45 7.81