#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 0.32 0.00 -2.53 0.00 0.00 -1.26 -5.18 120.51 111.86 1c9f n ALA 3 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 1c9f n ALA 3 Cb 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 1c9f n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1c9f s VAL 4 N 0.00 2.59 -0.21 0.00 1.01 -1.26 -4.94 120.40 117.59 1c9f s VAL 4 Ca 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 61.98 59.76 1c9f s VAL 4 Cb 0.00 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1c9f s VAL 4 CO 0.00 -0.30 0.08 0.18 0.00 0.00 0.00 175.10 175.07 1c9f n LEU 5 N -0.78 -6.26 -1.97 3.92 4.77 -1.26 -4.80 117.00 110.62 1c9f n LEU 5 Ca -0.05 1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 57.25 1c9f n LEU 5 Cb 0.61 -2.88 -0.06 0.00 -2.33 0.00 0.00 43.42 38.76 1c9f n LEU 5 CO 0.41 -2.88 1.37 0.54 -1.33 0.00 0.00 177.39 175.50 1c9f n ARG 6 N 0.89 1.80 0.00 3.23 5.12 -1.26 -4.71 116.66 121.74 1c9f n ARG 6 Ca -0.14 -1.18 0.00 0.00 -1.93 0.00 0.00 57.85 54.60 1c9f n ARG 6 Cb 0.22 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 1c9f n ARG 6 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1c9f n GLN 7 N 1.43 0.00 -2.48 5.56 1.13 -1.26 -5.14 117.38 116.62 1c9f n GLN 7 Ca 0.31 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.95 1c9f n GLN 7 Cb 0.66 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.98 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1c9f s PRO 8 N 0.00 4.50 0.61 -1.09 0.04 -1.26 -4.78 135.00 133.02 1c9f s PRO 8 Ca 0.00 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1c9f s PRO 8 Cb 0.00 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1c9f s PRO 8 CO 0.00 -0.12 1.02 0.15 0.04 0.00 0.00 177.00 178.08 1c9f s LYS 9 N 0.55 3.61 0.04 4.56 -0.14 -0.87 -4.75 119.74 122.74 1c9f s LYS 9 Ca 0.55 0.73 0.03 0.00 -1.36 0.00 0.00 55.97 55.91 1c9f s LYS 9 Cb -0.29 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 33.74 1c9f s LYS 9 CO 0.31 -0.54 -0.09 0.00 -0.76 0.00 0.00 175.35 174.27 1c9f s VAL 11 N -1.31 -0.02 -0.98 0.00 -7.23 0.25 0.21 120.40 111.31 1c9f s VAL 11 Ca -0.08 0.08 -0.20 0.00 -1.81 0.00 0.00 61.98 59.96 1c9f s VAL 11 Cb -0.10 -0.38 0.11 0.00 0.56 0.00 0.00 36.38 36.57 1c9f s VAL 11 CO 0.01 0.03 1.26 -0.54 -0.31 0.00 0.00 175.10 175.54 1c9f s LYS 12 N 0.73 3.63 -1.20 4.82 -0.14 0.43 -1.39 119.74 126.62 1c9f s LYS 12 Ca -0.05 -1.60 -0.22 0.00 -1.36 0.00 0.00 55.97 52.74 1c9f s LYS 12 Cb -0.06 -5.08 -0.07 0.00 -1.68 0.00 0.00 37.83 30.94 1c9f s LYS 12 CO -0.05 -1.92 1.92 -0.11 -0.76 0.00 0.00 175.35 174.43 1c9f n LEU 13 N 7.29 3.28 -4.88 3.17 7.94 -0.94 -1.90 117.00 130.95 1c9f n LEU 13 Ca 0.28 -3.26 -0.29 0.00 -1.11 0.00 0.00 56.01 51.63 1c9f n LEU 13 Cb 0.49 -1.74 -0.00 0.00 0.53 0.00 0.00 43.42 42.70 1c9f n LEU 13 CO 0.56 -1.62 0.57 -0.60 -1.11 0.00 0.00 177.39 175.19 1c9f s ARG 14 N 6.23 3.61 -0.18 1.96 6.06 0.47 -0.60 118.95 136.51 1c9f s ARG 14 Ca 0.67 0.50 -0.07 0.00 -2.50 0.00 0.00 55.73 54.32 1c9f s ARG 14 Cb -0.00 -2.24 0.08 0.00 0.06 0.00 0.00 34.95 32.84 1c9f s ARG 14 CO 0.13 -0.34 0.38 0.00 -2.50 0.00 0.00 175.30 172.97 1c9f s ALA 15 N -2.87 -1.00 -1.13 6.12 0.00 -0.74 -0.57 121.76 121.56 1c9f s ALA 15 Ca 0.52 1.38 0.25 0.00 0.00 0.00 0.00 51.96 54.10 1c9f s ALA 15 Cb -0.11 -1.16 1.12 0.00 0.00 0.00 0.00 23.12 22.97 1c9f s ALA 15 CO 0.46 -0.61 1.80 1.28 0.00 0.00 0.00 175.76 178.69 1c9f n LEU 16 N 5.11 0.00 -1.03 0.00 4.77 -1.21 -2.80 117.00 121.84 1c9f n LEU 16 Ca -0.12 0.43 0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1c9f n LEU 16 Cb 0.51 -0.43 0.24 0.00 -2.33 0.00 0.00 43.42 41.41 1c9f n LEU 16 CO 0.03 -0.07 0.70 1.57 -1.33 0.00 0.00 177.39 178.29 1c9f n HIS 17 N -1.43 0.76 -2.28 -1.77 -0.00 -1.26 -4.18 115.22 105.06 1c9f n HIS 17 Ca 0.08 -0.37 -0.01 0.00 0.46 0.00 0.00 57.72 57.87 1c9f n HIS 17 Cb 0.26 -0.02 -0.02 0.00 -0.12 0.00 0.00 29.99 30.09 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 1.06 0.05 -3.15 0.26 7.64 -1.12 -5.02 113.62 113.35 1c9f n SER 18 Ca 0.18 -2.00 -0.11 0.00 1.01 0.00 0.00 58.87 57.95 1c9f n SER 18 Cb 0.48 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.23 -1.35 -3.59 -0.43 0.00 -1.23 -4.74 120.51 109.39 1c9f n ALA 19 Ca -0.10 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.28 1c9f n ALA 19 Cb 0.93 -0.30 0.01 0.00 0.00 0.00 0.00 19.45 20.10 1c9f n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f n LYS 21 N -0.52 0.10 -3.12 0.00 2.85 -1.26 -1.80 118.16 114.41 1c9f n LYS 21 Ca 0.01 -0.52 -0.11 0.00 -1.05 0.00 0.00 58.31 56.64 1c9f n LYS 21 Cb 0.35 0.47 -0.04 0.00 -0.65 0.00 0.00 35.03 35.17 1c9f n LYS 21 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1c9f s PHE 22 N -3.64 -0.80 -0.70 5.58 5.36 0.23 -4.90 117.98 119.12 1c9f s PHE 22 Ca 0.06 -0.81 -0.26 0.00 -0.96 0.00 0.00 56.93 54.96 1c9f s PHE 22 Cb 0.00 -0.10 -0.08 0.00 -0.34 0.00 0.00 43.02 42.51 1c9f s PHE 22 CO 0.04 -1.10 2.22 0.20 -1.46 0.00 0.00 175.22 175.12 1c9f s GLY 23 N 1.05 -0.34 0.10 13.12 0.00 -1.26 -2.21 107.32 117.78 1c9f s GLY 23 Ca 0.25 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1c9f s GLY 23 CO -0.07 3.92 0.17 0.54 0.00 0.00 0.00 173.10 177.65 1c9f s VAL 24 N 12.12 4.92 0.08 1.40 0.11 -0.48 -4.90 120.40 133.64 1c9f s VAL 24 Ca 0.85 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 59.24 1c9f s VAL 24 Cb -0.13 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.25 1c9f s VAL 24 CO 0.14 0.05 -0.12 0.00 -3.33 0.00 0.00 175.10 171.84 1c9f s ALA 25 N -1.56 1.05 -0.29 1.54 0.00 -1.26 -0.59 121.76 120.65 1c9f s ALA 25 Ca 0.32 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1c9f s ALA 25 Cb -0.12 -0.03 0.15 0.00 0.00 0.00 0.00 23.12 23.13 1c9f s ALA 25 CO 0.25 0.06 1.13 0.00 0.00 0.00 0.00 175.76 177.20 1c9f s ALA 26 N -1.69 -2.19 0.10 0.00 0.00 0.43 -4.91 121.76 113.50 1c9f s ALA 26 Ca -0.01 1.94 -0.29 0.00 0.00 0.00 0.00 51.96 53.60 1c9f s ALA 26 Cb -0.08 -1.65 -0.11 0.00 0.00 0.00 0.00 23.12 21.28 1c9f s ALA 26 CO 0.01 -0.25 1.47 -0.09 0.00 0.00 0.00 175.76 176.91 1c9f h ARG 27 N 4.62 -0.49 -6.21 0.00 2.43 -1.86 -2.31 114.38 110.55 1c9f h ARG 27 Ca -0.28 0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.39 1c9f h ARG 27 Cb 1.18 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.77 1c9f h ARG 27 CO 0.16 -0.33 1.20 -1.12 -1.51 0.00 0.00 179.97 178.37 1c9f s SER 28 N -4.52 6.10 0.57 -3.80 0.01 -1.26 -4.15 113.70 106.65 1c9f s SER 28 Ca -0.13 -0.65 0.43 0.00 1.31 0.00 0.00 55.95 56.91 1c9f s SER 28 Cb 0.06 -2.56 1.52 0.00 0.21 0.00 0.00 66.02 65.25 1c9f s SER 28 CO 0.52 -1.86 1.54 0.00 0.41 0.00 0.00 173.24 173.86 1c9f h GLN 30 N 0.00 0.00 0.10 0.00 4.15 -1.90 -2.28 115.11 115.18 1c9f h GLN 30 Ca 0.78 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 60.19 1c9f h GLN 30 Cb 3.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 31.05 1c9f h GLN 30 CO -0.01 0.00 -0.05 0.93 -1.93 0.00 0.00 178.83 177.77 1c9f h GLU 31 N 0.00 -0.13 -0.45 1.69 5.08 0.14 -2.16 114.58 118.74 1c9f h GLU 31 Ca 0.01 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1c9f h GLU 31 Cb 0.07 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1c9f h GLU 31 CO -0.00 0.33 0.27 -0.07 -1.00 0.00 0.00 179.01 178.54 1c9f h LEU 32 N -0.66 0.53 0.38 1.33 3.38 -1.58 0.13 115.31 118.81 1c9f h LEU 32 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1c9f h LEU 32 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1c9f h LEU 32 CO 0.02 0.41 -0.18 -0.07 0.09 0.00 0.00 178.44 178.71 1c9f h LEU 33 N 0.62 -0.43 0.40 1.67 3.38 -1.40 0.12 115.31 119.67 1c9f h LEU 33 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1c9f h LEU 33 Cb -0.03 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1c9f h LEU 33 CO -0.03 -0.19 -0.30 0.03 0.09 0.00 0.00 178.44 178.04 1c9f h ARG 34 N -0.73 -0.64 -0.94 1.13 2.47 -1.34 -1.03 114.38 113.29 1c9f h ARG 34 Ca -0.05 0.04 0.27 0.00 -1.26 0.00 0.00 59.98 58.98 1c9f h ARG 34 Cb 0.39 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.82 1c9f h ARG 34 CO 0.09 -0.43 0.73 0.87 0.56 0.00 0.00 179.97 181.79 1c9f h LYS 35 N -0.67 0.00 -0.10 0.04 1.57 -1.11 0.18 116.57 116.48 1c9f h LYS 35 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1c9f h LYS 35 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1c9f h LYS 35 CO 0.02 0.00 0.05 0.78 -0.57 0.00 0.00 179.45 179.73 1c9f h GLY 36 N 0.00 0.16 2.00 3.86 0.00 0.55 -1.39 103.07 108.25 1c9f h GLY 36 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1c9f h GLY 36 CO -0.00 0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1c9f h VAL 38 N 0.00 1.76 0.00 0.00 2.07 -0.58 0.18 116.25 119.68 1c9f h VAL 38 Ca 0.00 -2.33 -0.12 0.00 0.82 0.00 0.00 66.70 65.06 1c9f h VAL 38 Cb 0.42 3.34 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1c9f h VAL 38 CO 0.00 0.61 -0.59 0.03 0.02 0.00 0.00 177.57 177.64 1c9f h ARG 39 N -0.92 0.00 0.00 1.57 -0.00 -1.25 -3.01 114.38 110.78 1c9f h ARG 39 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1c9f h ARG 39 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.02 1c9f h ARG 39 CO 0.02 0.59 -0.78 1.19 0.00 0.00 0.00 179.97 180.98 1c9f n PHE 40 N -3.68 0.10 -3.06 3.04 3.01 -0.70 -5.02 117.46 111.15 1c9f n PHE 40 Ca -0.01 0.03 -0.14 0.00 1.01 0.00 0.00 57.45 58.35 1c9f n PHE 40 Cb 0.62 -0.26 0.01 0.00 -0.01 0.00 0.00 39.48 39.85 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 -1.66 -2.15 -3.87 -1.08 1.13 0.60 -4.98 117.38 105.37 1c9f n GLN 41 Ca 0.04 1.85 -0.30 0.00 -1.94 0.00 0.00 57.00 56.66 1c9f n GLN 41 Cb 0.37 -3.82 -0.16 0.00 0.11 0.00 0.00 30.24 26.74 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 -2.08 2.22 0.82 1.08 1.98 -1.01 -5.03 118.68 116.67 1c9f s LEU 42 Ca 0.19 -1.13 -0.12 0.00 -2.89 0.00 0.00 54.13 50.18 1c9f s LEU 42 Cb -0.03 -1.01 0.08 0.00 0.66 0.00 0.00 46.19 45.89 1c9f s LEU 42 CO 0.67 -0.27 1.13 -2.16 -1.89 0.00 0.00 176.35 173.83 1c9f s PRO 43 N 1.52 1.89 -0.14 0.98 0.04 -1.26 -4.97 135.00 133.07 1c9f s PRO 43 Ca -0.03 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 1c9f s PRO 43 Cb -0.18 -1.92 -0.25 0.00 0.04 0.00 0.00 34.50 32.19 1c9f s PRO 43 CO -0.08 -1.69 0.44 1.98 0.04 0.00 0.00 177.00 177.69 1c9f h MET 44 N -1.13 0.16 -6.30 4.56 4.05 -2.00 -3.37 114.93 110.90 1c9f h MET 44 Ca -0.47 -0.27 -0.55 0.00 -0.28 0.00 0.00 59.70 58.12 1c9f h MET 44 Cb 1.30 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 32.17 1c9f h MET 44 CO 0.63 1.13 0.46 -1.25 0.23 0.00 0.00 176.91 178.11 1c9f s PRO 45 N -2.44 4.47 0.00 0.39 0.04 -1.26 -3.70 135.00 132.51 1c9f s PRO 45 Ca -0.23 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1c9f s PRO 45 Cb 0.05 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1c9f s PRO 45 CO 0.71 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.97 1c9f n GLY 46 N 3.03 1.79 2.90 0.56 0.00 -1.26 -4.97 105.19 107.23 1c9f n GLY 46 Ca 0.07 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 1.72 0.45 -3.65 1.61 2.88 -1.24 0.33 113.62 115.71 1c9f n SER 47 Ca 0.00 -1.56 -0.02 0.00 -1.33 0.00 0.00 58.87 55.96 1c9f n SER 47 Cb 0.00 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 62.74 1c9f n SER 47 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1c9f s ARG 48 N -4.88 0.01 0.35 -1.46 0.52 0.13 -4.65 118.95 108.97 1c9f s ARG 48 Ca 0.54 0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.83 1c9f s ARG 48 Cb -0.02 0.00 -0.03 0.00 0.52 0.00 0.00 34.95 35.42 1c9f s ARG 48 CO 0.37 -0.00 0.22 -0.51 0.02 0.00 0.00 175.30 175.40 1c9f s LEU 49 N -0.05 3.39 0.09 2.53 1.43 -0.39 -1.11 118.68 124.57 1c9f s LEU 49 Ca 0.08 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 1c9f s LEU 49 Cb -0.05 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.28 1c9f s LEU 49 CO -0.17 -0.37 0.44 0.00 0.23 0.00 0.00 176.35 176.49 1c9f s LEU 51 N -2.40 4.19 0.22 0.00 1.02 0.58 -1.03 118.68 121.27 1c9f s LEU 51 Ca -0.01 1.08 0.24 0.00 0.02 0.00 0.00 54.13 55.46 1c9f s LEU 51 Cb 0.00 -3.12 0.92 0.00 0.02 0.00 0.00 46.19 44.01 1c9f s LEU 51 CO -0.07 -0.33 1.73 0.00 0.02 0.00 0.00 176.35 177.70 1c9f n TYR 52 N 4.99 0.78 0.04 0.29 4.19 -0.98 -1.01 117.16 125.46 1c9f n TYR 52 Ca 0.02 0.28 -0.13 0.00 3.31 0.00 0.00 57.90 61.38 1c9f n TYR 52 Cb 0.49 -0.95 -0.06 0.00 0.49 0.00 0.00 39.34 39.31 1c9f n TYR 52 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1c9f h GLU 53 N 0.00 -0.52 0.00 2.98 4.81 -1.92 -3.36 114.58 116.57 1c9f h GLU 53 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1c9f h GLU 53 Cb 0.48 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1c9f h GLU 53 CO 0.00 -0.35 0.00 -3.47 -0.73 0.00 0.00 179.01 174.46 1c9f n ASP 54 N -5.44 0.38 -0.03 1.04 2.03 -1.24 -4.33 116.55 108.95 1c9f n ASP 54 Ca -0.05 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 54.13 1c9f n ASP 54 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1c9f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c9f n GLY 55 N -0.06 1.45 3.86 0.27 0.00 -0.18 -4.23 105.19 106.29 1c9f n GLY 55 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.07 1.93 -0.03 2.61 2.01 -0.69 -4.75 115.64 114.65 1c9f s THR 56 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1c9f s THR 56 Cb 0.00 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 1c9f s THR 56 CO 0.00 0.00 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.13 1c9f s GLU 57 N -5.74 1.68 0.30 4.92 2.02 -1.26 -0.30 118.70 120.32 1c9f s GLU 57 Ca 0.72 -0.67 -0.15 0.00 0.02 0.00 0.00 54.97 54.88 1c9f s GLU 57 Cb -0.06 -1.55 0.02 0.00 0.10 0.00 0.00 34.13 32.64 1c9f s GLU 57 CO 0.53 0.35 0.64 0.08 0.02 0.00 0.00 175.26 176.89 1c9f s VAL 58 N -0.26 0.00 0.24 2.63 1.01 0.52 -4.79 120.40 119.74 1c9f s VAL 58 Ca 0.03 -1.18 0.11 0.00 0.00 0.00 0.00 61.98 60.94 1c9f s VAL 58 Cb -0.09 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1c9f s VAL 58 CO 0.01 0.00 -0.20 0.42 0.00 0.00 0.00 175.10 175.33 1c9f s THR 59 N -3.46 2.27 -1.22 3.92 -4.23 -1.26 -1.27 115.64 110.39 1c9f s THR 59 Ca 0.17 -2.25 0.09 0.00 -1.18 0.00 0.00 61.69 58.52 1c9f s THR 59 Cb -0.04 -2.18 0.12 0.00 1.34 0.00 0.00 72.50 71.74 1c9f s THR 59 CO 0.10 -0.37 1.23 -0.90 -0.54 0.00 0.00 174.62 174.14 1c9f n ASP 60 N -0.31 0.00 -0.00 3.99 5.75 -1.26 -1.96 116.55 122.75 1c9f n ASP 60 Ca -0.08 0.32 0.06 0.00 -0.01 0.00 0.00 54.79 55.09 1c9f n ASP 60 Cb 0.59 -0.39 -0.09 0.00 -1.03 0.00 0.00 41.12 40.20 1c9f n ASP 60 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1c9f n ASP 61 N -1.39 1.85 0.09 -1.12 2.03 -1.26 -4.57 116.55 112.18 1c9f n ASP 61 Ca 0.03 -0.15 -0.23 0.00 0.52 0.00 0.00 54.79 54.97 1c9f n ASP 61 Cb 0.09 1.46 -0.15 0.00 -0.72 0.00 0.00 41.12 41.80 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 -3.60 0.76 0.00 0.00 3.72 -1.07 -4.82 117.46 112.44 1c9f n PHE 63 Ca -0.22 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1c9f n PHE 63 Cb 1.08 -2.40 0.00 0.00 -0.94 0.00 0.00 39.48 37.22 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 8.41 0.00 -3.17 -1.08 -0.04 -1.26 -4.76 135.00 133.10 1c9f n PRO 64 Ca 0.61 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.77 1c9f n PRO 64 Cb 0.08 -0.02 -0.05 0.00 -0.04 0.00 0.00 33.50 33.47 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 2.96 5.20 3.35 0.55 0.00 -1.26 -4.89 105.19 111.09 1c9f n GLY 65 Ca 0.00 -2.75 -0.39 0.00 0.00 0.00 0.00 46.02 42.88 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 0.52 -1.72 0.00 0.99 4.77 -1.26 -4.96 117.00 115.34 1c9f n LEU 66 Ca 0.31 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 1c9f n LEU 66 Cb 0.38 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1c9f n LEU 66 CO 0.44 -4.02 0.00 -0.81 -1.33 0.00 0.00 177.39 171.67 1c9f n PRO 67 N 0.83 0.82 -2.58 3.23 -0.04 -1.26 -4.92 135.00 131.08 1c9f n PRO 67 Ca 0.10 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.22 1c9f n PRO 67 Cb 0.47 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.36 6.53 -1.35 3.54 4.22 -1.26 -3.46 114.94 121.80 1c9f s ASN 68 Ca 0.00 1.80 -0.16 0.00 -2.14 0.00 0.00 52.86 52.36 1c9f s ASN 68 Cb 0.00 -2.54 0.15 0.00 1.28 0.00 0.00 41.25 40.14 1c9f s ASN 68 CO 0.00 -0.65 0.47 -0.67 -2.04 0.00 0.00 177.10 174.21 1c9f n ASP 69 N -1.02 -2.07 -4.72 3.54 2.03 0.56 -4.70 116.55 110.17 1c9f n ASP 69 Ca 0.08 -0.70 -0.59 0.00 0.52 0.00 0.00 54.79 54.10 1c9f n ASP 69 Cb 0.53 -1.80 -0.08 0.00 -0.72 0.00 0.00 41.12 39.06 1c9f n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c9f n ALA 70 N -3.65 -0.44 -2.61 -1.67 0.00 -0.63 -3.98 120.51 107.53 1c9f n ALA 70 Ca 0.07 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.49 1c9f n ALA 70 Cb 0.48 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 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 3.39 3.46 0.17 0.00 8.01 -1.26 -0.43 118.70 132.05 1c9f s GLU 71 Ca 0.99 0.07 0.07 0.00 0.01 0.00 0.00 54.97 56.12 1c9f s GLU 71 Cb -1.15 -4.01 -0.04 0.00 -4.31 0.00 0.00 34.13 24.62 1c9f s GLU 71 CO 0.69 -1.51 -0.00 -0.51 0.01 0.00 0.00 175.26 173.93 1c9f s LEU 72 N 4.34 3.31 -0.03 1.80 1.02 -0.80 -2.33 118.68 125.99 1c9f s LEU 72 Ca 0.38 -0.40 -0.00 0.00 0.02 0.00 0.00 54.13 54.13 1c9f s LEU 72 Cb -0.10 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.18 1c9f s LEU 72 CO 0.24 0.09 0.02 -0.22 0.02 0.00 0.00 176.35 176.50 1c9f s LEU 73 N -2.93 0.96 0.17 1.79 2.96 -0.20 -0.39 118.68 121.03 1c9f s LEU 73 Ca 0.27 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 1c9f s LEU 73 Cb -0.09 -0.17 -0.08 0.00 0.50 0.00 0.00 46.19 46.35 1c9f s LEU 73 CO 0.18 -0.14 1.16 -0.22 -1.32 0.00 0.00 176.35 176.01 1c9f s LEU 74 N 1.25 4.46 0.10 -0.68 2.96 0.26 -2.22 118.68 124.80 1c9f s LEU 74 Ca -0.07 2.15 -0.14 0.00 -0.22 0.00 0.00 54.13 55.85 1c9f s LEU 74 Cb -0.13 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.98 1c9f s LEU 74 CO -0.03 -0.32 0.34 -0.22 -1.32 0.00 0.00 176.35 174.80 1c9f s LEU 75 N -0.15 0.72 0.23 -0.68 0.20 -0.27 -3.35 118.68 115.38 1c9f s LEU 75 Ca 0.52 -0.35 -0.09 0.00 0.69 0.00 0.00 54.13 54.90 1c9f s LEU 75 Cb -0.31 1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 47.00 1c9f s LEU 75 CO 0.35 -0.77 0.35 0.42 -0.29 0.00 0.00 176.35 176.41 1c9f s THR 76 N -3.52 0.00 0.47 3.68 -4.23 -1.25 0.19 115.64 110.98 1c9f s THR 76 Ca 0.02 -1.61 0.29 0.00 -1.18 0.00 0.00 61.69 59.20 1c9f s THR 76 Cb 0.02 -2.28 0.48 0.00 1.34 0.00 0.00 72.50 72.06 1c9f s THR 76 CO -0.10 -0.02 1.75 0.00 -0.54 0.00 0.00 174.62 175.71 1c9f h ALA 77 N 2.40 2.72 -0.22 3.99 0.00 -0.39 1.96 119.26 129.72 1c9f h ALA 77 Ca -0.30 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1c9f h ALA 77 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1c9f h ALA 77 CO 0.42 -1.14 0.00 0.41 0.00 0.00 0.00 179.25 178.94 1c9f n GLY 78 N -1.61 1.69 3.26 0.00 0.00 -1.26 -4.85 105.19 102.42 1c9f n GLY 78 Ca 0.28 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1c9f n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1c9f s GLU 79 N -1.65 0.81 0.25 1.61 2.12 0.67 -5.16 118.70 117.35 1c9f s GLU 79 Ca 0.20 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 55.01 1c9f s GLU 79 Cb 0.14 0.35 -0.02 0.00 0.26 0.00 0.00 34.13 34.86 1c9f s GLU 79 CO 0.07 -0.26 0.32 -0.08 -0.54 0.00 0.00 175.26 174.77 1c9f s THR 80 N -2.48 0.00 -0.05 -1.70 -1.32 -1.26 -3.98 115.64 104.85 1c9f s THR 80 Ca -0.05 -1.74 -0.02 0.00 -1.21 0.00 0.00 61.69 58.66 1c9f s THR 80 Cb -0.01 -2.43 0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1c9f s THR 80 CO -0.03 0.00 0.09 0.86 -2.21 0.00 0.00 174.62 173.33 1c9f s TRP 81 N -3.85 -0.03 0.00 9.09 -0.00 -1.26 -5.04 118.94 117.86 1c9f s TRP 81 Ca 0.32 0.35 0.00 0.00 -0.00 0.00 0.00 56.10 56.77 1c9f s TRP 81 Cb 0.03 -0.34 0.00 0.00 -0.00 0.00 0.00 33.47 33.16 1c9f s TRP 81 CO 0.14 -0.19 0.27 0.72 -0.00 0.00 0.00 176.95 177.89 1c9f n HIS 82 N 4.99 0.00 0.00 5.86 8.25 -1.26 -4.97 115.22 128.09 1c9f n HIS 82 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1c9f n HIS 82 Cb 0.50 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 0.98 0.09 3.58 -1.41 0.00 -1.26 -4.63 105.19 102.54 1c9f n GLY 83 Ca 0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 3.23 0.51 1.61 5.04 -1.26 -4.90 117.35 119.57 1c9f s TYR 84 Ca 0.00 0.13 -0.13 0.00 -2.44 0.00 0.00 57.07 54.63 1c9f s TYR 84 Cb 0.00 -2.51 -0.06 0.00 0.35 0.00 0.00 41.96 39.74 1c9f s TYR 84 CO 0.00 -0.26 0.92 0.14 -1.34 0.00 0.00 175.55 175.01 1c9f s VAL 85 N 1.90 4.67 -0.81 3.14 -7.23 -1.26 -4.86 120.40 115.94 1c9f s VAL 85 Ca 0.10 0.90 0.01 0.00 -1.81 0.00 0.00 61.98 61.19 1c9f s VAL 85 Cb -0.16 -3.77 0.20 0.00 0.56 0.00 0.00 36.38 33.21 1c9f s VAL 85 CO 0.11 -0.76 0.66 -0.55 -0.31 0.00 0.00 175.10 174.24 1c9f s SER 86 N -3.43 5.49 0.00 4.85 0.15 -1.26 -5.19 113.70 114.31 1c9f s SER 86 Ca 0.55 -3.80 0.00 0.00 0.70 0.00 0.00 55.95 53.40 1c9f s SER 86 Cb -0.10 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1c9f s SER 86 CO 0.37 -0.13 0.06 -0.67 1.20 0.00 0.00 173.24 174.07