#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9f n ALA 3 N 12.22 -2.12 -2.90 0.00 0.00 -1.26 -5.15 120.51 121.30 1c9f n ALA 3 Ca 0.57 -0.84 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 1c9f n ALA 3 Cb 0.29 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.38 1c9f n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1c9f s VAL 4 N 0.13 0.11 -0.07 0.00 0.11 -1.26 -5.12 120.40 114.30 1c9f s VAL 4 Ca 0.21 -0.91 -0.30 0.00 -2.93 0.00 0.00 61.98 58.05 1c9f s VAL 4 Cb 0.29 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1c9f s VAL 4 CO -0.14 -0.50 1.26 -0.22 -3.33 0.00 0.00 175.10 172.17 1c9f s LEU 5 N -1.80 4.27 -0.58 2.54 0.20 -1.26 -4.92 118.68 117.12 1c9f s LEU 5 Ca -0.09 1.86 0.02 0.00 0.69 0.00 0.00 54.13 56.60 1c9f s LEU 5 Cb -0.04 -3.55 0.42 0.00 -0.43 0.00 0.00 46.19 42.59 1c9f s LEU 5 CO -0.02 -0.65 1.64 0.54 -0.29 0.00 0.00 176.35 177.57 1c9f n ARG 6 N 5.57 3.08 -3.17 1.98 5.12 -1.26 -4.88 116.66 123.10 1c9f n ARG 6 Ca 0.12 -3.81 0.05 0.00 -1.93 0.00 0.00 57.85 52.28 1c9f n ARG 6 Cb 0.45 -2.27 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 1c9f n ARG 6 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1c9f s GLN 7 N -3.78 0.05 -0.02 5.56 -2.07 -1.26 -5.13 119.66 113.01 1c9f s GLN 7 Ca 0.55 0.11 -0.30 0.00 -1.82 0.00 0.00 55.36 53.89 1c9f s GLN 7 Cb 0.45 0.06 -0.05 0.00 -1.09 0.00 0.00 33.01 32.38 1c9f s GLN 7 CO -0.14 -0.04 1.29 -1.25 -1.32 0.00 0.00 175.29 173.82 1c9f s PRO 8 N 2.68 4.33 0.82 9.60 0.04 -1.26 -4.74 135.00 146.46 1c9f s PRO 8 Ca -0.06 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1c9f s PRO 8 Cb -0.06 -3.54 0.10 0.00 0.04 0.00 0.00 34.50 31.04 1c9f s PRO 8 CO -0.10 -0.48 1.18 0.15 0.04 0.00 0.00 177.00 177.78 1c9f s LYS 9 N 2.17 1.78 0.03 4.56 -0.14 -0.93 -4.72 119.74 122.48 1c9f s LYS 9 Ca 0.60 -0.04 0.01 0.00 -1.36 0.00 0.00 55.97 55.17 1c9f s LYS 9 Cb -0.28 -1.97 -0.02 0.00 -1.68 0.00 0.00 37.83 33.88 1c9f s LYS 9 CO 0.25 -1.68 -0.05 0.00 -0.76 0.00 0.00 175.35 173.11 1c9f s VAL 11 N -1.71 -0.06 -0.78 0.00 -7.23 0.26 0.19 120.40 111.07 1c9f s VAL 11 Ca -0.11 0.16 -0.23 0.00 -1.81 0.00 0.00 61.98 59.99 1c9f s VAL 11 Cb -0.08 -0.37 0.07 0.00 0.56 0.00 0.00 36.38 36.56 1c9f s VAL 11 CO -0.01 0.06 1.13 -0.54 -0.31 0.00 0.00 175.10 175.43 1c9f s LYS 12 N 1.31 3.29 -1.05 4.82 -0.14 -0.39 -1.43 119.74 126.15 1c9f s LYS 12 Ca -0.09 -0.94 -0.23 0.00 -1.36 0.00 0.00 55.97 53.36 1c9f s LYS 12 Cb -0.11 -4.51 0.01 0.00 -1.68 0.00 0.00 37.83 31.55 1c9f s LYS 12 CO -0.08 -1.93 1.70 -1.17 -0.76 0.00 0.00 175.35 173.11 1c9f s LEU 13 N 4.25 3.40 0.48 3.17 2.96 -1.00 -2.37 118.68 129.58 1c9f s LEU 13 Ca 0.30 -1.41 -0.14 0.00 -0.22 0.00 0.00 54.13 52.66 1c9f s LEU 13 Cb -0.10 -2.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.94 1c9f s LEU 13 CO 0.05 -2.01 0.92 -0.60 -1.32 0.00 0.00 176.35 173.39 1c9f s ARG 14 N 5.63 3.88 -0.11 1.98 6.06 0.45 0.75 118.95 137.58 1c9f s ARG 14 Ca 0.57 0.79 -0.04 0.00 -2.50 0.00 0.00 55.73 54.55 1c9f s ARG 14 Cb -0.01 -2.22 0.06 0.00 0.06 0.00 0.00 34.95 32.84 1c9f s ARG 14 CO -0.02 -0.21 0.17 0.00 -2.50 0.00 0.00 175.30 172.74 1c9f s ALA 15 N -2.57 -0.13 0.53 6.12 0.00 -0.99 -0.17 121.76 124.56 1c9f s ALA 15 Ca 0.56 0.42 0.23 0.00 0.00 0.00 0.00 51.96 53.18 1c9f s ALA 15 Cb -0.10 -0.93 1.51 0.00 0.00 0.00 0.00 23.12 23.59 1c9f s ALA 15 CO 0.32 -0.74 2.17 -0.07 0.00 0.00 0.00 175.76 177.45 1c9f h LEU 16 N 8.36 0.00 -0.50 0.00 3.38 -1.87 0.29 115.31 124.96 1c9f h LEU 16 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1c9f h LEU 16 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1c9f h LEU 16 CO 0.18 0.03 0.00 1.57 0.09 0.00 0.00 178.44 180.31 1c9f n HIS 17 N -4.13 0.17 -3.18 1.13 -0.00 -1.26 -4.84 115.22 103.11 1c9f n HIS 17 Ca -0.03 -0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.07 1c9f n HIS 17 Cb 0.12 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 1c9f n HIS 17 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1c9f n SER 18 N -0.14 1.18 -0.28 0.26 7.64 0.09 -5.06 113.62 117.31 1c9f n SER 18 Ca 0.04 -0.18 0.05 0.00 1.01 0.00 0.00 58.87 59.79 1c9f n SER 18 Cb 0.12 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.43 1c9f n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c9f n ALA 19 N -3.00 2.25 0.00 -0.43 0.00 -1.26 -4.95 120.51 113.12 1c9f n ALA 19 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.78 1c9f n ALA 19 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1c9f n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f s LYS 21 N -0.01 1.83 -0.61 0.00 0.00 -1.26 -2.34 119.74 117.35 1c9f s LYS 21 Ca 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 55.97 53.92 1c9f s LYS 21 Cb 0.00 -0.59 0.15 0.00 0.00 0.00 0.00 37.83 37.39 1c9f s LYS 21 CO 0.00 -0.42 0.38 0.12 0.00 0.00 0.00 175.35 175.43 1c9f s PHE 22 N -3.28 3.36 -0.92 1.78 5.36 0.23 -4.83 117.98 119.68 1c9f s PHE 22 Ca 0.28 -3.25 -0.26 0.00 -0.96 0.00 0.00 56.93 52.73 1c9f s PHE 22 Cb 0.04 -2.75 -0.19 0.00 -0.34 0.00 0.00 43.02 39.79 1c9f s PHE 22 CO 0.15 -0.64 2.28 0.41 -1.46 0.00 0.00 175.22 175.96 1c9f n GLY 23 N 2.52 -0.30 3.89 13.12 0.00 -1.26 -2.39 105.19 120.78 1c9f n GLY 23 Ca 0.13 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 1c9f n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c9f s VAL 24 N 16.00 5.21 0.08 1.61 0.11 -0.52 -4.86 120.40 138.04 1c9f s VAL 24 Ca 0.88 0.05 0.05 0.00 -2.93 0.00 0.00 61.98 60.04 1c9f s VAL 24 Cb -0.10 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.11 1c9f s VAL 24 CO 0.13 0.14 -0.14 0.00 -3.33 0.00 0.00 175.10 171.90 1c9f s ALA 25 N -1.54 1.26 -0.27 1.54 0.00 -1.26 -0.58 121.76 120.92 1c9f s ALA 25 Ca 0.37 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 50.99 1c9f s ALA 25 Cb -0.13 -0.10 0.15 0.00 0.00 0.00 0.00 23.12 23.05 1c9f s ALA 25 CO 0.23 0.16 1.17 0.00 0.00 0.00 0.00 175.76 177.31 1c9f s ALA 26 N -1.48 -2.05 0.04 0.00 0.00 -0.24 -4.95 121.76 113.08 1c9f s ALA 26 Ca 0.01 1.78 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 1c9f s ALA 26 Cb -0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 1c9f s ALA 26 CO 0.02 -0.21 1.18 0.00 0.00 0.00 0.00 175.76 176.76 1c9f h ARG 27 N 3.48 -0.15 -6.08 0.00 -0.00 -1.85 -2.47 114.38 107.30 1c9f h ARG 27 Ca -0.25 0.01 -0.58 0.00 -0.50 0.00 0.00 59.98 58.66 1c9f h ARG 27 Cb 1.18 0.03 -0.10 0.00 0.00 0.00 0.00 29.97 31.09 1c9f h ARG 27 CO 0.17 -0.10 1.12 -1.12 0.00 0.00 0.00 179.97 180.04 1c9f s SER 28 N -3.42 6.30 0.53 7.04 0.01 -1.26 -4.15 113.70 118.75 1c9f s SER 28 Ca -0.05 -0.93 0.44 0.00 1.31 0.00 0.00 55.95 56.72 1c9f s SER 28 Cb 0.03 -2.54 1.64 0.00 0.21 0.00 0.00 66.02 65.36 1c9f s SER 28 CO 0.20 -1.64 1.62 0.00 0.41 0.00 0.00 173.24 173.84 1c9f h GLN 30 N 0.02 0.00 -0.11 0.00 -0.00 -1.88 0.15 115.11 113.28 1c9f h GLN 30 Ca 0.85 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 59.32 1c9f h GLN 30 Cb 3.27 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 30.74 1c9f h GLN 30 CO -0.10 0.00 -0.68 1.49 0.00 0.00 0.00 178.83 179.54 1c9f h GLU 31 N 0.00 0.45 -0.12 1.69 4.57 0.18 -2.80 114.58 118.54 1c9f h GLU 31 Ca 0.23 -0.34 -0.11 0.00 -1.18 0.00 0.00 59.36 57.96 1c9f h GLU 31 Cb 0.96 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1c9f h GLU 31 CO -0.00 0.97 -0.41 -0.07 -1.18 0.00 0.00 179.01 178.31 1c9f h LEU 32 N 0.32 0.29 0.21 1.64 3.38 -0.80 -1.48 115.31 118.87 1c9f h LEU 32 Ca -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1c9f h LEU 32 Cb 1.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1c9f h LEU 32 CO 0.12 0.68 -0.10 -0.07 0.09 0.00 0.00 178.44 179.16 1c9f h LEU 33 N 0.23 -0.24 0.78 1.67 3.38 -1.29 0.15 115.31 119.99 1c9f h LEU 33 Ca 0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1c9f h LEU 33 Cb 0.83 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1c9f h LEU 33 CO 0.07 0.16 -0.38 0.03 0.09 0.00 0.00 178.44 178.41 1c9f h ARG 34 N -0.68 -1.01 -0.49 1.13 2.47 -1.49 -2.03 114.38 112.28 1c9f h ARG 34 Ca -0.03 0.07 0.14 0.00 -1.26 0.00 0.00 59.98 58.90 1c9f h ARG 34 Cb 0.48 0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 29.01 1c9f h ARG 34 CO 0.05 -0.67 0.42 0.87 0.56 0.00 0.00 179.97 181.19 1c9f h LYS 35 N -1.10 0.00 -0.43 0.04 1.57 -1.38 0.29 116.57 115.56 1c9f h LYS 35 Ca -0.11 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1c9f h LYS 35 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1c9f h LYS 35 CO 0.18 0.00 0.10 0.78 -0.57 0.00 0.00 179.45 179.94 1c9f h GLY 36 N 0.00 0.73 2.00 3.86 0.00 -0.09 -2.36 103.07 107.21 1c9f h GLY 36 Ca 0.23 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1c9f h GLY 36 CO -0.00 0.43 -0.05 0.00 0.00 0.00 0.00 176.54 176.92 1c9f h VAL 38 N 0.00 1.43 0.00 0.00 2.07 -0.89 0.21 116.25 119.07 1c9f h VAL 38 Ca -0.00 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.09 1c9f h VAL 38 Cb 0.73 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1c9f h VAL 38 CO 0.01 0.35 -0.54 -0.09 0.02 0.00 0.00 177.57 177.31 1c9f h ARG 39 N -0.46 0.00 -0.01 1.57 9.65 -1.48 -3.05 114.38 120.59 1c9f h ARG 39 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1c9f h ARG 39 Cb 0.59 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1c9f h ARG 39 CO 0.01 0.54 -0.24 1.19 2.80 0.00 0.00 179.97 184.27 1c9f n PHE 40 N -3.45 0.00 -3.52 2.20 3.01 -0.85 -4.99 117.46 109.87 1c9f n PHE 40 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 1c9f n PHE 40 Cb 0.66 -0.07 0.01 0.00 -0.01 0.00 0.00 39.48 40.07 1c9f n PHE 40 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1c9f n GLN 41 N -0.24 -1.61 -3.90 -1.08 1.13 0.71 -4.93 117.38 107.47 1c9f n GLN 41 Ca 0.13 1.12 -0.34 0.00 -1.94 0.00 0.00 57.00 55.97 1c9f n GLN 41 Cb 0.39 -3.30 -0.13 0.00 0.11 0.00 0.00 30.24 27.31 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1c9f s LEU 42 N -4.20 4.42 0.70 1.08 1.98 -0.96 -5.04 118.68 116.65 1c9f s LEU 42 Ca 0.08 -1.65 -0.13 0.00 -2.89 0.00 0.00 54.13 49.54 1c9f s LEU 42 Cb -0.01 -1.72 0.02 0.00 0.66 0.00 0.00 46.19 45.13 1c9f s LEU 42 CO 0.85 -0.36 1.09 -2.16 -1.89 0.00 0.00 176.35 173.88 1c9f s PRO 43 N 1.15 2.70 -0.07 0.98 0.04 -1.26 -4.98 135.00 133.56 1c9f s PRO 43 Ca 0.01 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.16 1c9f s PRO 43 Cb -0.21 -1.95 -0.29 0.00 0.04 0.00 0.00 34.50 32.10 1c9f s PRO 43 CO -0.03 -1.31 0.58 1.98 0.04 0.00 0.00 177.00 178.26 1c9f h MET 44 N -0.50 0.33 0.03 4.56 4.05 -1.99 -3.33 114.93 118.08 1c9f h MET 44 Ca -0.45 -0.56 -0.00 0.00 -0.28 0.00 0.00 59.70 58.41 1c9f h MET 44 Cb 1.23 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 32.24 1c9f h MET 44 CO 0.54 1.24 -0.01 -1.00 0.23 0.00 0.00 176.91 177.91 1c9f h PRO 45 N 0.09 -0.04 -2.52 0.39 0.13 -2.05 -3.37 132.00 124.64 1c9f h PRO 45 Ca -0.36 0.00 -0.80 0.00 -0.87 0.00 0.00 66.00 63.97 1c9f h PRO 45 Cb 2.07 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.93 1c9f h PRO 45 CO 0.14 0.65 0.85 0.41 -0.23 0.00 0.00 178.00 179.82 1c9f n GLY 46 N 1.26 5.72 3.24 1.56 0.00 -1.26 -4.95 105.19 110.75 1c9f n GLY 46 Ca -0.08 -2.63 0.02 0.00 0.00 0.00 0.00 46.02 43.33 1c9f n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1c9f n SER 47 N 0.50 -1.04 -3.65 1.61 2.88 -1.25 -4.56 113.62 108.11 1c9f n SER 47 Ca 0.38 -1.28 -0.02 0.00 -1.33 0.00 0.00 58.87 56.62 1c9f n SER 47 Cb 0.30 1.63 -0.07 0.00 -0.75 0.00 0.00 64.21 65.31 1c9f n SER 47 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1c9f s ARG 48 N -2.02 0.08 0.32 -1.46 3.52 0.10 -4.68 118.95 114.82 1c9f s ARG 48 Ca 0.24 0.11 0.08 0.00 -0.13 0.00 0.00 55.73 56.03 1c9f s ARG 48 Cb -0.01 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 1c9f s ARG 48 CO 0.00 -0.01 0.17 -0.51 -0.81 0.00 0.00 175.30 174.14 1c9f s LEU 49 N 0.34 3.41 -0.21 -0.88 1.43 -0.36 -1.02 118.68 121.39 1c9f s LEU 49 Ca 0.03 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 1c9f s LEU 49 Cb -0.04 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.30 1c9f s LEU 49 CO -0.14 -0.25 0.53 0.00 0.23 0.00 0.00 176.35 176.73 1c9f s LEU 51 N 0.66 3.68 0.53 0.00 1.02 0.54 -1.11 118.68 123.99 1c9f s LEU 51 Ca -0.03 1.63 0.35 0.00 0.02 0.00 0.00 54.13 56.09 1c9f s LEU 51 Cb -0.05 -3.52 1.90 0.00 0.02 0.00 0.00 46.19 44.54 1c9f s LEU 51 CO -0.04 -1.57 2.07 0.22 0.02 0.00 0.00 176.35 177.04 1c9f h TYR 52 N 12.49 0.00 -0.27 0.29 3.20 -1.53 0.12 116.97 131.27 1c9f h TYR 52 Ca -0.36 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.57 1c9f h TYR 52 Cb 1.18 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.38 1c9f h TYR 52 CO 0.94 0.00 -0.27 1.49 -1.64 0.00 0.00 178.16 178.68 1c9f h GLU 53 N 0.00 -0.25 0.00 1.82 4.81 -1.88 -3.32 114.58 115.76 1c9f h GLU 53 Ca 0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1c9f h GLU 53 Cb 0.02 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.35 1c9f h GLU 53 CO 0.00 -0.17 -0.62 -3.47 -0.73 0.00 0.00 179.01 174.02 1c9f n ASP 54 N -5.39 0.49 -0.79 1.04 -0.08 -1.08 -4.35 116.55 106.39 1c9f n ASP 54 Ca -0.00 -2.13 -0.08 0.00 -1.51 0.00 0.00 54.79 51.07 1c9f n ASP 54 Cb 0.31 -0.25 -0.01 0.00 2.34 0.00 0.00 41.12 43.50 1c9f n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c9f n GLY 55 N 0.02 0.39 3.68 0.27 0.00 0.35 -4.48 105.19 105.41 1c9f n GLY 55 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1c9f n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c9f s THR 56 N -2.36 2.48 -0.09 2.61 2.01 -0.73 -4.71 115.64 114.86 1c9f s THR 56 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1c9f s THR 56 Cb 0.00 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1c9f s THR 56 CO 0.00 -0.20 -0.13 -1.83 -0.69 0.00 0.00 174.62 171.76 1c9f s GLU 57 N -4.85 2.91 0.31 4.92 1.03 -1.26 -0.34 118.70 121.42 1c9f s GLU 57 Ca 0.64 -0.68 -0.16 0.00 0.03 0.00 0.00 54.97 54.80 1c9f s GLU 57 Cb -0.19 -2.50 0.02 0.00 -0.80 0.00 0.00 34.13 30.66 1c9f s GLU 57 CO 0.58 0.45 0.68 0.08 -1.33 0.00 0.00 175.26 175.71 1c9f s VAL 58 N -0.26 0.00 0.17 1.83 1.01 0.53 -4.83 120.40 118.86 1c9f s VAL 58 Ca 0.02 -1.12 0.06 0.00 0.00 0.00 0.00 61.98 60.94 1c9f s VAL 58 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1c9f s VAL 58 CO 0.03 0.00 -0.13 0.42 0.00 0.00 0.00 175.10 175.42 1c9f s THR 59 N -3.39 1.50 -0.77 3.92 -4.23 -1.26 -1.23 115.64 110.18 1c9f s THR 59 Ca 0.16 -2.07 0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1c9f s THR 59 Cb -0.04 -1.89 0.09 0.00 1.34 0.00 0.00 72.50 72.00 1c9f s THR 59 CO 0.10 -0.60 1.28 -0.90 -0.54 0.00 0.00 174.62 173.96 1c9f n ASP 60 N -0.13 0.18 -0.71 3.99 5.68 -1.26 -0.85 116.55 123.45 1c9f n ASP 60 Ca -0.10 0.57 0.07 0.00 -0.50 0.00 0.00 54.79 54.84 1c9f n ASP 60 Cb 0.60 -0.60 0.13 0.00 -1.14 0.00 0.00 41.12 40.10 1c9f n ASP 60 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1c9f n ASP 61 N -1.73 2.68 -0.05 -1.12 2.03 -1.26 -4.56 116.55 112.54 1c9f n ASP 61 Ca 0.00 -1.79 -0.07 0.00 0.52 0.00 0.00 54.79 53.45 1c9f n ASP 61 Cb 0.05 -0.14 -0.05 0.00 -0.72 0.00 0.00 41.12 40.27 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c9f n PHE 63 N -2.81 0.56 0.00 0.00 3.72 -0.94 -4.82 117.46 113.17 1c9f n PHE 63 Ca -0.18 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1c9f n PHE 63 Cb 0.69 -2.37 0.00 0.00 -0.94 0.00 0.00 39.48 36.86 1c9f n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1c9f n PRO 64 N 8.49 0.00 -3.22 -1.08 -0.04 -1.26 -4.80 135.00 133.09 1c9f n PRO 64 Ca 0.66 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.87 1c9f n PRO 64 Cb 0.03 -0.13 -0.06 0.00 -0.04 0.00 0.00 33.50 33.30 1c9f n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c9f n GLY 65 N 2.19 4.26 3.14 0.55 0.00 -1.26 -4.64 105.19 109.42 1c9f n GLY 65 Ca 0.00 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 1c9f n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c9f n LEU 66 N 0.68 -3.47 0.00 0.99 4.77 -1.26 -4.96 117.00 113.75 1c9f n LEU 66 Ca 0.27 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1c9f n LEU 66 Cb 0.48 -0.83 0.10 0.00 -2.33 0.00 0.00 43.42 40.84 1c9f n LEU 66 CO 0.30 -4.25 0.32 -0.81 -1.33 0.00 0.00 177.39 171.62 1c9f n PRO 67 N 0.87 -1.36 -1.52 3.23 -0.04 -1.26 -4.89 135.00 130.03 1c9f n PRO 67 Ca 0.00 -0.83 -0.34 0.00 -0.04 0.00 0.00 63.50 62.29 1c9f n PRO 67 Cb 0.61 -0.67 0.08 0.00 -0.04 0.00 0.00 33.50 33.48 1c9f n PRO 67 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1c9f s ASN 68 N -2.96 4.40 -1.63 3.54 2.20 -1.26 -2.50 114.94 116.73 1c9f s ASN 68 Ca 0.32 2.30 -0.19 0.00 -0.94 0.00 0.00 52.86 54.35 1c9f s ASN 68 Cb -0.02 -2.58 0.18 0.00 -2.00 0.00 0.00 41.25 36.83 1c9f s ASN 68 CO 0.24 -2.12 0.60 0.47 -2.94 0.00 0.00 177.10 173.34 1c9f n ASP 69 N -2.61 -2.34 -4.43 3.54 9.92 0.51 -4.65 116.55 116.48 1c9f n ASP 69 Ca 0.13 -0.96 -0.59 0.00 -0.53 0.00 0.00 54.79 52.83 1c9f n ASP 69 Cb 0.50 -1.99 -0.10 0.00 -0.64 0.00 0.00 41.12 38.89 1c9f n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1c9f n ALA 70 N -3.98 0.10 -2.61 2.24 0.00 -0.75 -3.95 120.51 111.56 1c9f n ALA 70 Ca 0.09 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 1c9f n ALA 70 Cb 0.47 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 1c9f n ALA 70 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1c9f s GLU 71 N 5.25 3.35 0.22 0.00 0.41 -1.26 -1.26 118.70 125.40 1c9f s GLU 71 Ca 1.13 -0.09 0.10 0.00 -0.41 0.00 0.00 54.97 55.70 1c9f s GLU 71 Cb -1.31 -4.09 -0.04 0.00 -1.78 0.00 0.00 34.13 26.91 1c9f s GLU 71 CO 0.65 -1.81 -0.09 -0.51 -0.49 0.00 0.00 175.26 173.01 1c9f s LEU 72 N 4.96 2.97 -0.06 1.80 1.02 -1.00 -1.51 118.68 126.86 1c9f s LEU 72 Ca 0.37 -0.66 0.00 0.00 0.02 0.00 0.00 54.13 53.86 1c9f s LEU 72 Cb -0.09 -1.59 0.02 0.00 0.02 0.00 0.00 46.19 44.55 1c9f s LEU 72 CO 0.20 0.07 -0.05 -0.22 0.02 0.00 0.00 176.35 176.37 1c9f s LEU 73 N -3.14 1.17 0.16 1.79 2.96 -0.27 -0.41 118.68 120.95 1c9f s LEU 73 Ca 0.27 -0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 53.71 1c9f s LEU 73 Cb -0.08 -0.55 -0.08 0.00 0.50 0.00 0.00 46.19 45.98 1c9f s LEU 73 CO 0.16 -0.09 1.24 -0.22 -1.32 0.00 0.00 176.35 176.13 1c9f s LEU 74 N 1.26 4.42 0.10 -0.68 2.96 0.76 -2.27 118.68 125.23 1c9f s LEU 74 Ca -0.05 2.25 -0.09 0.00 -0.22 0.00 0.00 54.13 56.02 1c9f s LEU 74 Cb -0.14 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.95 1c9f s LEU 74 CO -0.02 -0.45 0.22 -0.22 -1.32 0.00 0.00 176.35 174.55 1c9f s LEU 75 N 0.11 1.29 0.28 -0.68 0.20 -0.19 -3.29 118.68 116.40 1c9f s LEU 75 Ca 0.56 -0.67 -0.07 0.00 0.69 0.00 0.00 54.13 54.64 1c9f s LEU 75 Cb -0.34 1.11 -0.01 0.00 -0.43 0.00 0.00 46.19 46.53 1c9f s LEU 75 CO 0.35 -0.76 0.43 0.42 -0.29 0.00 0.00 176.35 176.50 1c9f s THR 76 N -3.87 0.00 0.61 3.68 -4.23 -1.25 0.01 115.64 110.59 1c9f s THR 76 Ca 0.07 -1.56 0.29 0.00 -1.18 0.00 0.00 61.69 59.30 1c9f s THR 76 Cb 0.04 -2.42 0.35 0.00 1.34 0.00 0.00 72.50 71.82 1c9f s THR 76 CO -0.09 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.88 1c9f h ALA 77 N 2.26 1.96 -0.45 3.99 0.00 -1.83 1.19 119.26 126.38 1c9f h ALA 77 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1c9f h ALA 77 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1c9f h ALA 77 CO 0.39 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.44 1c9f n GLY 78 N -1.43 2.16 3.27 0.00 0.00 -1.26 -4.89 105.19 103.03 1c9f n GLY 78 Ca 0.05 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1c9f n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c9f s GLU 79 N -1.92 0.88 0.03 1.61 2.02 0.41 -5.15 118.70 116.59 1c9f s GLU 79 Ca 0.37 -0.59 -0.12 0.00 0.02 0.00 0.00 54.97 54.66 1c9f s GLU 79 Cb 0.25 0.38 0.01 0.00 0.10 0.00 0.00 34.13 34.88 1c9f s GLU 79 CO 0.16 -0.30 0.25 0.99 0.02 0.00 0.00 175.26 176.38 1c9f s THR 80 N -2.97 0.09 -0.14 3.63 2.01 -1.26 -4.02 115.64 112.98 1c9f s THR 80 Ca -0.02 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1c9f s THR 80 Cb 0.01 -0.85 0.04 0.00 0.01 0.00 0.00 72.50 71.70 1c9f s THR 80 CO -0.06 -0.41 -0.04 0.86 -0.69 0.00 0.00 174.62 174.28 1c9f s TRP 81 N -2.31 1.39 0.00 4.92 -0.00 -1.26 -5.06 118.94 116.62 1c9f s TRP 81 Ca -0.07 -0.80 0.00 0.00 -0.00 0.00 0.00 56.10 55.23 1c9f s TRP 81 Cb -0.02 -1.17 0.00 0.00 -0.00 0.00 0.00 33.47 32.28 1c9f s TRP 81 CO -0.02 -0.54 0.72 0.72 -0.00 0.00 0.00 176.95 177.84 1c9f n HIS 82 N 4.96 0.00 0.00 5.86 8.25 -1.26 -4.92 115.22 128.11 1c9f n HIS 82 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1c9f n HIS 82 Cb 0.49 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1c9f n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c9f n GLY 83 N -0.36 2.43 3.53 -1.41 0.00 -1.26 -4.60 105.19 103.53 1c9f n GLY 83 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1c9f n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c9f s TYR 84 N -2.00 2.95 0.33 1.61 6.14 -1.26 -4.88 117.35 120.24 1c9f s TYR 84 Ca 0.00 0.07 -0.25 0.00 0.64 0.00 0.00 57.07 57.53 1c9f s TYR 84 Cb 0.00 -3.76 -0.10 0.00 0.42 0.00 0.00 41.96 38.52 1c9f s TYR 84 CO 0.00 -1.08 0.94 0.14 0.64 0.00 0.00 175.55 176.19 1c9f s VAL 85 N 3.40 4.24 -0.99 3.14 -7.23 -1.26 -4.86 120.40 116.84 1c9f s VAL 85 Ca 0.29 1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 62.23 1c9f s VAL 85 Cb -0.13 -3.96 0.32 0.00 0.56 0.00 0.00 36.38 33.17 1c9f s VAL 85 CO 0.21 0.09 1.71 -0.24 -0.31 0.00 0.00 175.10 176.57 1c9f n SER 86 N 0.43 7.00 -0.65 4.85 2.88 -1.26 -5.22 113.62 121.66 1c9f n SER 86 Ca 0.02 -3.66 0.13 0.00 -1.33 0.00 0.00 58.87 54.03 1c9f n SER 86 Cb 0.51 -1.12 0.38 0.00 -0.75 0.00 0.00 64.21 63.22 1c9f n SER 86 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14