#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 -0.45 -3.10 -3.44 0.00 0.00 -1.26 -5.02 120.51 107.23 1c9f n ALA 3 Ca 0.00 0.62 -0.27 0.00 0.00 0.00 0.00 53.44 53.79 1c9f n ALA 3 Cb 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 1c9f n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1c9f n VAL 4 N -0.12 -0.79 -3.64 0.00 3.14 -1.26 -5.06 118.33 110.60 1c9f n VAL 4 Ca 0.05 -3.66 -0.39 0.00 -2.96 0.00 0.00 64.34 57.38 1c9f n VAL 4 Cb 0.20 -1.74 -0.09 0.00 -1.06 0.00 0.00 33.84 31.15 1c9f n VAL 4 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1c9f s LEU 5 N -0.24 5.55 -0.18 6.55 2.01 -1.26 -4.94 118.68 126.17 1c9f s LEU 5 Ca 0.32 -2.52 -0.03 0.00 0.01 0.00 0.00 54.13 51.91 1c9f s LEU 5 Cb 0.04 -1.93 -0.01 0.00 0.01 0.00 0.00 46.19 44.30 1c9f s LEU 5 CO -0.19 -0.49 2.63 0.54 1.01 0.00 0.00 176.35 179.85 1c9f n ARG 6 N 4.01 1.78 0.00 1.70 5.12 -1.26 -4.59 116.66 123.41 1c9f n ARG 6 Ca 0.04 -1.18 0.00 0.00 -1.93 0.00 0.00 57.85 54.78 1c9f n ARG 6 Cb 0.40 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 1c9f n ARG 6 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1c9f n GLN 7 N 1.36 0.00 -2.31 5.56 7.27 -1.26 -5.14 117.38 122.86 1c9f n GLN 7 Ca 0.30 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.96 1c9f n GLN 7 Cb 0.65 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.27 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1c9f s PRO 8 N 0.00 4.42 0.34 3.69 0.04 -1.26 -4.82 135.00 137.40 1c9f s PRO 8 Ca 0.00 1.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1c9f s PRO 8 Cb 0.00 -3.26 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 1c9f s PRO 8 CO 0.00 -0.23 0.83 0.15 0.04 0.00 0.00 177.00 177.79 1c9f s LYS 9 N 0.34 4.21 0.04 4.56 -0.14 -0.95 -4.76 119.74 123.03 1c9f s LYS 9 Ca 0.57 0.94 0.07 0.00 -1.36 0.00 0.00 55.97 56.20 1c9f s LYS 9 Cb -0.34 -2.49 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 1c9f s LYS 9 CO 0.34 0.16 -0.19 0.00 -0.76 0.00 0.00 175.35 174.90 1c9f s VAL 11 N -0.89 0.11 -0.80 0.00 -7.23 0.03 0.11 120.40 111.72 1c9f s VAL 11 Ca 0.14 -0.44 -0.15 0.00 -1.81 0.00 0.00 61.98 59.72 1c9f s VAL 11 Cb -0.10 -0.17 0.20 0.00 0.56 0.00 0.00 36.38 36.86 1c9f s VAL 11 CO 0.04 -0.21 0.77 -0.54 -0.31 0.00 0.00 175.10 174.85 1c9f s LYS 12 N -0.68 3.53 -1.01 4.82 -0.14 -0.58 -0.62 119.74 125.07 1c9f s LYS 12 Ca -0.07 -2.30 -0.23 0.00 -1.36 0.00 0.00 55.97 52.01 1c9f s LYS 12 Cb -0.05 -4.45 -0.02 0.00 -1.68 0.00 0.00 37.83 31.63 1c9f s LYS 12 CO -0.00 -1.34 1.82 -1.17 -0.76 0.00 0.00 175.35 173.89 1c9f s LEU 13 N 0.58 3.27 0.40 3.17 2.96 -0.88 -1.93 118.68 126.25 1c9f s LEU 13 Ca 0.17 -1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 52.89 1c9f s LEU 13 Cb -0.12 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1c9f s LEU 13 CO -0.07 -2.41 0.66 -0.60 -1.32 0.00 0.00 176.35 172.61 1c9f s ARG 14 N 6.24 3.53 -0.14 1.98 6.06 0.68 -0.82 118.95 136.47 1c9f s ARG 14 Ca 0.63 -0.05 -0.08 0.00 -2.50 0.00 0.00 55.73 53.73 1c9f s ARG 14 Cb -0.03 -2.53 0.05 0.00 0.06 0.00 0.00 34.95 32.50 1c9f s ARG 14 CO 0.00 -0.01 0.35 0.00 -2.50 0.00 0.00 175.30 173.14 1c9f s ALA 15 N -2.49 -0.86 -0.70 6.12 0.00 -0.25 -0.66 121.76 122.92 1c9f s ALA 15 Ca 0.44 1.30 0.25 0.00 0.00 0.00 0.00 51.96 53.96 1c9f s ALA 15 Cb -0.10 -0.80 0.59 0.00 0.00 0.00 0.00 23.12 22.81 1c9f s ALA 15 CO 0.39 -0.23 1.55 1.28 0.00 0.00 0.00 175.76 178.75 1c9f n LEU 16 N 4.16 0.73 -0.03 0.00 4.77 -1.23 -2.87 117.00 122.53 1c9f n LEU 16 Ca -0.23 0.39 0.15 0.00 -0.03 0.00 0.00 56.01 56.28 1c9f n LEU 16 Cb 0.55 -0.26 0.78 0.00 -2.33 0.00 0.00 43.42 42.16 1c9f n LEU 16 CO 0.11 -0.10 1.02 1.57 -1.33 0.00 0.00 177.39 178.65 1c9f n HIS 17 N -2.14 0.00 -2.22 -1.77 -0.00 -1.26 -3.68 115.22 104.15 1c9f n HIS 17 Ca 0.04 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.23 1c9f n HIS 17 Cb 0.43 -0.19 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 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 -1.13 0.33 -3.56 0.26 7.64 -1.21 -5.02 113.62 110.92 1c9f n SER 18 Ca 0.17 -1.91 -0.18 0.00 1.01 0.00 0.00 58.87 57.96 1c9f n SER 18 Cb 0.22 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.22 -1.58 -3.82 -0.43 0.00 -1.14 -4.84 120.51 108.93 1c9f n ALA 19 Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 1c9f n ALA 19 Cb 0.88 -0.68 -0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -3.16 1.13 -0.30 0.00 -2.85 -1.26 -1.09 119.74 112.21 1c9f s LYS 21 Ca 0.14 -1.24 -0.02 0.00 -1.00 0.00 0.00 55.97 53.85 1c9f s LYS 21 Cb -0.04 0.35 0.12 0.00 -2.06 0.00 0.00 37.83 36.20 1c9f s LYS 21 CO 0.06 -0.40 0.21 0.12 0.10 0.00 0.00 175.35 175.44 1c9f s PHE 22 N -3.99 -0.02 -0.72 1.78 5.36 -0.00 -4.93 117.98 115.46 1c9f s PHE 22 Ca 0.19 -0.62 -0.26 0.00 -0.96 0.00 0.00 56.93 55.29 1c9f s PHE 22 Cb 0.04 -0.70 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 1c9f s PHE 22 CO 0.01 -0.87 1.97 0.20 -1.46 0.00 0.00 175.22 175.06 1c9f s GLY 23 N 2.14 0.08 -0.08 13.12 0.00 -1.26 -2.07 107.32 119.24 1c9f s GLY 23 Ca 0.10 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 1c9f s GLY 23 CO -0.32 3.55 0.13 0.54 0.00 0.00 0.00 173.10 177.00 1c9f s VAL 24 N 10.02 5.32 0.07 1.40 0.11 0.21 -4.86 120.40 132.67 1c9f s VAL 24 Ca 0.72 0.04 0.09 0.00 -2.93 0.00 0.00 61.98 59.90 1c9f s VAL 24 Cb -0.11 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.36 1c9f s VAL 24 CO 0.13 0.54 -0.25 0.00 -3.33 0.00 0.00 175.10 172.18 1c9f s ALA 25 N -1.09 2.15 -0.27 1.54 0.00 -1.26 -0.79 121.76 122.03 1c9f s ALA 25 Ca 0.18 -1.27 -0.25 0.00 0.00 0.00 0.00 51.96 50.62 1c9f s ALA 25 Cb -0.12 -0.41 0.09 0.00 0.00 0.00 0.00 23.12 22.68 1c9f s ALA 25 CO 0.08 0.49 0.87 0.00 0.00 0.00 0.00 175.76 177.20 1c9f s ALA 26 N -0.89 -1.87 0.10 0.00 0.00 0.01 -4.95 121.76 114.16 1c9f s ALA 26 Ca 0.11 1.95 -0.34 0.00 0.00 0.00 0.00 51.96 53.68 1c9f s ALA 26 Cb -0.10 -1.29 -0.14 0.00 0.00 0.00 0.00 23.12 21.59 1c9f s ALA 26 CO 0.03 -0.29 1.57 0.00 0.00 0.00 0.00 175.76 177.06 1c9f h ARG 27 N 4.60 -0.76 -5.90 0.00 2.47 -1.88 -2.53 114.38 110.40 1c9f h ARG 27 Ca -0.29 0.05 -0.59 0.00 -1.26 0.00 0.00 59.98 57.89 1c9f h ARG 27 Cb 1.17 0.17 -0.11 0.00 -1.65 0.00 0.00 29.97 29.55 1c9f h ARG 27 CO 0.08 -0.50 0.96 -1.12 0.56 0.00 0.00 179.97 179.95 1c9f s SER 28 N -4.62 6.27 0.56 7.04 0.01 -1.26 -4.29 113.70 117.42 1c9f s SER 28 Ca -0.17 -0.96 0.46 0.00 1.31 0.00 0.00 55.95 56.59 1c9f s SER 28 Cb 0.06 -2.50 1.65 0.00 0.21 0.00 0.00 66.02 65.44 1c9f s SER 28 CO 0.61 -1.58 1.60 0.00 0.41 0.00 0.00 173.24 174.29 1c9f h GLN 30 N 0.00 0.00 0.20 0.00 1.08 -1.89 -2.05 115.11 112.46 1c9f h GLN 30 Ca 0.84 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 58.03 1c9f h GLN 30 Cb 3.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.86 1c9f h GLN 30 CO -0.01 0.00 -0.10 0.93 -0.95 0.00 0.00 178.83 178.70 1c9f h GLU 31 N 0.00 -0.26 -0.69 1.46 5.08 0.20 -2.51 114.58 117.85 1c9f h GLU 31 Ca 0.05 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1c9f h GLU 31 Cb 0.30 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1c9f h GLU 31 CO -0.00 0.12 0.46 -0.07 -1.00 0.00 0.00 179.01 178.51 1c9f h LEU 32 N -0.90 0.53 0.31 1.33 3.38 -1.56 -0.02 115.31 118.38 1c9f h LEU 32 Ca -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1c9f h LEU 32 Cb 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1c9f h LEU 32 CO 0.05 0.32 -0.15 -0.07 0.09 0.00 0.00 178.44 178.68 1c9f h LEU 33 N 0.59 -0.35 0.10 1.67 3.38 -1.40 -0.16 115.31 119.14 1c9f h LEU 33 Ca 0.31 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1c9f h LEU 33 Cb 0.45 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1c9f h LEU 33 CO -0.10 -0.19 -0.07 -0.09 0.09 0.00 0.00 178.44 178.08 1c9f h ARG 34 N -0.53 -0.15 -1.19 1.13 1.12 -1.31 -1.49 114.38 111.96 1c9f h ARG 34 Ca -0.04 0.01 0.40 0.00 -1.11 0.00 0.00 59.98 59.24 1c9f h ARG 34 Cb 0.32 0.03 -0.14 0.00 -0.01 0.00 0.00 29.97 30.17 1c9f h ARG 34 CO 0.07 -0.10 0.74 0.87 -3.11 0.00 0.00 179.97 178.43 1c9f h LYS 35 N -0.16 0.14 -0.14 0.20 1.57 -1.15 0.58 116.57 117.60 1c9f h LYS 35 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1c9f h LYS 35 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1c9f h LYS 35 CO 0.01 0.09 0.08 0.78 -0.57 0.00 0.00 179.45 179.84 1c9f h GLY 36 N 0.14 0.21 2.00 3.86 0.00 -0.48 -1.50 103.07 107.31 1c9f h GLY 36 Ca 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1c9f h GLY 36 CO -0.50 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.13 1c9f h VAL 38 N 0.00 1.36 0.00 0.00 2.07 -0.63 0.20 116.25 119.24 1c9f h VAL 38 Ca 0.00 -2.32 -0.19 0.00 0.82 0.00 0.00 66.70 65.01 1c9f h VAL 38 Cb 0.15 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1c9f h VAL 38 CO 0.00 0.69 -0.96 -0.09 0.02 0.00 0.00 177.57 177.23 1c9f h ARG 39 N 0.09 0.00 -0.00 1.57 1.12 -0.93 -3.22 114.38 113.00 1c9f h ARG 39 Ca -0.14 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 1c9f h ARG 39 Cb 1.66 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.62 1c9f h ARG 39 CO 0.19 0.84 -0.51 1.19 -3.11 0.00 0.00 179.97 178.56 1c9f n PHE 40 N -3.29 0.00 -3.13 2.20 3.01 0.25 -5.01 117.46 111.48 1c9f n PHE 40 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.28 1c9f n PHE 40 Cb 0.90 -0.15 0.02 0.00 -0.01 0.00 0.00 39.48 40.24 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 -1.13 -2.01 -3.72 -1.08 1.13 0.66 -4.97 117.38 106.25 1c9f n GLN 41 Ca 0.07 1.73 -0.30 0.00 -1.94 0.00 0.00 57.00 56.57 1c9f n GLN 41 Cb 0.35 -3.46 -0.14 0.00 0.11 0.00 0.00 30.24 27.10 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 -2.11 2.45 0.39 1.08 1.98 -1.07 -5.04 118.68 116.35 1c9f s LEU 42 Ca 0.22 -2.06 -0.25 0.00 -2.89 0.00 0.00 54.13 49.14 1c9f s LEU 42 Cb -0.04 -0.94 -0.09 0.00 0.66 0.00 0.00 46.19 45.79 1c9f s LEU 42 CO 0.67 -0.35 1.10 -2.16 -1.89 0.00 0.00 176.35 173.72 1c9f s PRO 43 N 1.08 4.17 0.18 0.98 0.04 -1.26 -4.94 135.00 135.24 1c9f s PRO 43 Ca 0.13 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 1c9f s PRO 43 Cb -0.20 -2.67 0.14 0.00 0.04 0.00 0.00 34.50 31.81 1c9f s PRO 43 CO -0.13 -0.17 1.67 1.98 0.04 0.00 0.00 177.00 180.38 1c9f h MET 44 N 2.70 0.04 -7.34 4.56 4.05 -1.99 -3.35 114.93 113.60 1c9f h MET 44 Ca -0.48 -0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.43 1c9f h MET 44 Cb 1.22 -0.01 0.06 0.00 -0.80 0.00 0.00 31.60 32.07 1c9f h MET 44 CO 0.63 0.03 0.41 -1.25 0.23 0.00 0.00 176.91 176.95 1c9f s PRO 45 N -6.20 3.52 -1.61 0.39 0.04 -1.26 -3.90 135.00 125.98 1c9f s PRO 45 Ca -0.14 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 61.63 1c9f s PRO 45 Cb 0.15 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.71 1c9f s PRO 45 CO 0.72 -0.63 0.40 0.41 0.04 0.00 0.00 177.00 177.93 1c9f n GLY 46 N -2.47 -0.27 3.72 0.56 0.00 -1.26 -4.87 105.19 100.59 1c9f n GLY 46 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1c9f n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1c9f s SER 47 N -3.92 -0.09 -0.29 1.61 0.15 -1.25 -4.33 113.70 105.57 1c9f s SER 47 Ca 0.33 -0.29 -0.26 0.00 0.70 0.00 0.00 55.95 56.42 1c9f s SER 47 Cb -0.18 0.32 0.19 0.00 -1.71 0.00 0.00 66.02 64.63 1c9f s SER 47 CO 0.96 -0.59 1.42 -0.60 1.20 0.00 0.00 173.24 175.63 1c9f s ARG 48 N -2.70 0.06 0.34 5.44 3.52 0.87 -4.85 118.95 121.62 1c9f s ARG 48 Ca 0.15 0.05 0.08 0.00 -0.13 0.00 0.00 55.73 55.88 1c9f s ARG 48 Cb 0.01 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.39 1c9f s ARG 48 CO -0.00 -0.01 0.13 -0.51 -0.81 0.00 0.00 175.30 174.09 1c9f s LEU 49 N -0.31 3.24 -0.05 -0.88 1.43 -0.73 -1.03 118.68 120.35 1c9f s LEU 49 Ca 0.08 -0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 52.16 1c9f s LEU 49 Cb -0.04 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.52 1c9f s LEU 49 CO -0.13 -0.28 0.51 0.00 0.23 0.00 0.00 176.35 176.67 1c9f s LEU 51 N -1.12 3.40 0.64 0.00 1.02 0.75 -0.74 118.68 122.63 1c9f s LEU 51 Ca -0.11 0.31 0.33 0.00 0.02 0.00 0.00 54.13 54.68 1c9f s LEU 51 Cb -0.03 -3.06 1.84 0.00 0.02 0.00 0.00 46.19 44.97 1c9f s LEU 51 CO 0.07 -1.72 2.10 0.22 0.02 0.00 0.00 176.35 177.04 1c9f h TYR 52 N 11.14 0.00 -0.27 0.29 3.20 -1.41 1.12 116.97 131.04 1c9f h TYR 52 Ca -0.27 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.67 1c9f h TYR 52 Cb 1.09 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.29 1c9f h TYR 52 CO 1.03 0.00 -0.21 1.49 -1.64 0.00 0.00 178.16 178.83 1c9f h GLU 53 N 0.00 -0.19 0.00 1.82 4.81 -1.89 -3.31 114.58 115.83 1c9f h GLU 53 Ca 0.04 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1c9f h GLU 53 Cb 0.45 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1c9f h GLU 53 CO -0.00 -0.12 0.00 -3.47 -0.73 0.00 0.00 179.01 174.69 1c9f n ASP 54 N -5.36 0.60 -0.01 1.04 2.03 -0.92 -4.14 116.55 109.80 1c9f n ASP 54 Ca -0.00 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1c9f n ASP 54 Cb 0.27 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 -0.01 0.93 3.77 0.27 0.00 0.38 -3.99 105.19 106.55 1c9f n GLY 55 Ca 0.00 -0.58 -0.29 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 -2.02 2.50 -0.10 2.61 2.01 -0.85 -4.70 115.64 115.10 1c9f s THR 56 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1c9f s THR 56 Cb 0.00 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1c9f s THR 56 CO 0.00 -0.21 -0.16 -1.83 -0.69 0.00 0.00 174.62 171.73 1c9f s GLU 57 N -5.14 3.02 0.31 4.92 -1.05 -1.26 -0.18 118.70 119.32 1c9f s GLU 57 Ca 0.63 -0.74 -0.14 0.00 -0.15 0.00 0.00 54.97 54.57 1c9f s GLU 57 Cb -0.16 -2.47 0.02 0.00 -0.44 0.00 0.00 34.13 31.08 1c9f s GLU 57 CO 0.55 0.34 0.62 0.08 0.95 0.00 0.00 175.26 177.80 1c9f s VAL 58 N 0.01 0.00 0.27 1.83 1.01 0.58 -4.87 120.40 119.22 1c9f s VAL 58 Ca -0.05 -1.22 0.12 0.00 0.00 0.00 0.00 61.98 60.82 1c9f s VAL 58 Cb -0.14 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1c9f s VAL 58 CO 0.04 0.00 -0.18 0.42 0.00 0.00 0.00 175.10 175.39 1c9f s THR 59 N -3.37 2.61 -1.73 3.92 -4.23 -1.26 -1.78 115.64 109.80 1c9f s THR 59 Ca 0.19 -2.31 0.16 0.00 -1.18 0.00 0.00 61.69 58.54 1c9f s THR 59 Cb -0.03 -2.37 0.37 0.00 1.34 0.00 0.00 72.50 71.81 1c9f s THR 59 CO 0.11 -0.38 1.40 -0.90 -0.54 0.00 0.00 174.62 174.31 1c9f n ASP 60 N -0.60 0.00 -0.02 3.99 5.68 -1.26 -2.64 116.55 121.71 1c9f n ASP 60 Ca -0.06 -0.23 0.02 0.00 -0.50 0.00 0.00 54.79 54.02 1c9f n ASP 60 Cb 0.60 -0.14 -0.07 0.00 -1.14 0.00 0.00 41.12 40.37 1c9f n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1c9f n ASP 61 N -1.14 2.99 0.13 -1.12 5.75 -1.26 -4.46 116.55 117.44 1c9f n ASP 61 Ca 0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.67 1c9f n ASP 61 Cb 0.09 1.18 -0.15 0.00 -1.03 0.00 0.00 41.12 41.21 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c9f n PHE 63 N -3.63 0.49 0.07 0.00 3.72 -1.15 -4.73 117.46 112.23 1c9f n PHE 63 Ca -0.13 0.33 -0.20 0.00 -0.05 0.00 0.00 57.45 57.39 1c9f n PHE 63 Cb 1.07 -2.11 -0.11 0.00 -0.94 0.00 0.00 39.48 37.38 1c9f n PHE 63 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1c9f h PRO 64 N 11.36 0.63 0.00 -1.08 0.13 -1.94 -3.45 132.00 137.65 1c9f h PRO 64 Ca -0.04 -0.76 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1c9f h PRO 64 Cb 1.23 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1c9f h PRO 64 CO 1.34 1.33 0.00 0.41 -0.23 0.00 0.00 178.00 180.86 1c9f n GLY 65 N 1.22 -1.91 3.08 1.56 0.00 -1.26 -4.86 105.19 103.03 1c9f n GLY 65 Ca -0.12 0.93 -0.36 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 -4.52 0.00 0.99 4.32 -1.26 -4.94 117.00 111.59 1c9f n LEU 66 Ca 0.00 0.17 -0.13 0.00 -0.02 0.00 0.00 56.01 56.03 1c9f n LEU 66 Cb 0.00 -0.80 0.10 0.00 -1.62 0.00 0.00 43.42 41.10 1c9f n LEU 66 CO 0.00 -5.03 0.29 -0.81 -1.22 0.00 0.00 177.39 170.62 1c9f n PRO 67 N 1.63 -1.51 -1.43 3.23 -0.04 -1.26 -4.84 135.00 130.79 1c9f n PRO 67 Ca -0.00 -0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 62.32 1c9f n PRO 67 Cb 0.59 -0.66 0.09 0.00 -0.04 0.00 0.00 33.50 33.48 1c9f n PRO 67 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1c9f n ASN 68 N -3.66 1.17 -4.00 3.54 2.85 -1.26 -1.94 115.26 111.95 1c9f n ASN 68 Ca 0.07 0.71 -0.32 0.00 -0.11 0.00 0.00 54.58 54.92 1c9f n ASN 68 Cb 0.25 -1.48 -0.05 0.00 1.24 0.00 0.00 39.78 39.74 1c9f n ASN 68 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1c9f n ASP 69 N -2.12 -2.32 -4.51 1.20 8.00 0.30 -4.58 116.55 112.53 1c9f n ASP 69 Ca 0.14 -0.81 -0.33 0.00 0.71 0.00 0.00 54.79 54.50 1c9f n ASP 69 Cb 0.49 -1.98 -0.17 0.00 -0.02 0.00 0.00 41.12 39.45 1c9f n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9f n ALA 70 N -3.82 0.63 -2.03 2.24 0.00 -0.79 -3.90 120.51 112.84 1c9f n ALA 70 Ca 0.07 -0.57 -0.34 0.00 0.00 0.00 0.00 53.44 52.61 1c9f n ALA 70 Cb 0.48 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.47 1c9f n ALA 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c9f s GLU 71 N 8.24 2.58 0.14 0.00 2.12 -1.26 -1.52 118.70 128.99 1c9f s GLU 71 Ca 1.30 0.32 0.05 0.00 0.36 0.00 0.00 54.97 57.00 1c9f s GLU 71 Cb -0.99 -4.62 -0.04 0.00 0.26 0.00 0.00 34.13 28.74 1c9f s GLU 71 CO 0.48 -2.98 0.09 -1.17 -0.54 0.00 0.00 175.26 171.15 1c9f s LEU 72 N 9.54 3.72 -0.01 2.70 2.96 -0.81 -1.16 118.68 135.62 1c9f s LEU 72 Ca 0.69 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1c9f s LEU 72 Cb -0.11 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1c9f s LEU 72 CO 0.13 0.11 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.97 1c9f s LEU 73 N -2.83 2.02 0.06 -0.68 0.20 0.08 -0.23 118.68 117.29 1c9f s LEU 73 Ca 0.30 -0.15 -0.30 0.00 0.69 0.00 0.00 54.13 54.67 1c9f s LEU 73 Cb -0.11 -0.42 -0.05 0.00 -0.43 0.00 0.00 46.19 45.18 1c9f s LEU 73 CO 0.22 0.10 0.95 -0.22 -0.29 0.00 0.00 176.35 177.12 1c9f s LEU 74 N -0.20 4.44 0.07 -0.68 2.96 0.17 -2.38 118.68 123.07 1c9f s LEU 74 Ca 0.03 1.71 -0.07 0.00 -0.22 0.00 0.00 54.13 55.58 1c9f s LEU 74 Cb -0.03 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1c9f s LEU 74 CO -0.00 -0.14 0.15 -0.22 -1.32 0.00 0.00 176.35 174.82 1c9f s LEU 75 N 0.42 1.60 0.00 -0.68 0.20 -0.20 -3.55 118.68 116.47 1c9f s LEU 75 Ca 0.48 -0.66 0.00 0.00 0.69 0.00 0.00 54.13 54.64 1c9f s LEU 75 Cb -0.22 0.87 0.00 0.00 -0.43 0.00 0.00 46.19 46.41 1c9f s LEU 75 CO 0.29 -0.67 0.00 0.35 -0.29 0.00 0.00 176.35 176.02 1c9f n THR 76 N 0.11 0.00 -0.01 3.68 -2.24 -1.25 -0.09 114.28 114.48 1c9f n THR 76 Ca -0.16 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1c9f n THR 76 Cb 0.61 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.91 1c9f n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c9f h ALA 77 N 1.49 0.74 -0.23 6.98 0.00 -1.89 -2.65 119.26 123.70 1c9f h ALA 77 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1c9f h ALA 77 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1c9f h ALA 77 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1c9f n GLY 78 N 0.16 1.70 3.13 0.00 0.00 -1.26 -4.83 105.19 104.09 1c9f n GLY 78 Ca -0.03 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.65 0.47 -0.13 1.61 2.02 -1.00 -5.13 118.70 114.89 1c9f s GLU 79 Ca 0.20 -0.24 -0.12 0.00 0.02 0.00 0.00 54.97 54.83 1c9f s GLU 79 Cb 0.14 0.20 0.04 0.00 0.10 0.00 0.00 34.13 34.61 1c9f s GLU 79 CO 0.07 -0.11 0.36 0.95 0.02 0.00 0.00 175.26 176.55 1c9f s THR 80 N -1.11 -0.00 -0.12 3.63 -4.23 -1.26 -3.93 115.64 108.62 1c9f s THR 80 Ca -0.12 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.41 1c9f s THR 80 Cb -0.06 -0.50 -0.01 0.00 1.34 0.00 0.00 72.50 73.27 1c9f s THR 80 CO 0.02 0.00 -0.18 0.86 -0.54 0.00 0.00 174.62 174.78 1c9f s TRP 81 N 0.21 2.71 -0.06 3.99 -0.00 -1.26 -5.04 118.94 119.49 1c9f s TRP 81 Ca -0.00 -0.90 -0.05 0.00 -0.00 0.00 0.00 56.10 55.14 1c9f s TRP 81 Cb -0.03 -1.80 -0.03 0.00 -0.00 0.00 0.00 33.47 31.61 1c9f s TRP 81 CO 0.00 -0.36 0.24 0.45 -0.00 0.00 0.00 176.95 177.29 1c9f h HIS 82 N 6.85 -0.18 0.00 5.86 3.86 -1.96 -3.49 115.15 126.10 1c9f h HIS 82 Ca -0.25 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1c9f h HIS 82 Cb 1.22 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1c9f h HIS 82 CO 0.49 -0.11 0.00 0.41 0.86 0.00 0.00 177.93 179.58 1c9f n GLY 83 N 1.26 4.31 3.61 2.45 0.00 -1.26 -4.64 105.19 110.91 1c9f n GLY 83 Ca -0.02 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1c9f n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c9f n TYR 84 N -1.56 1.09 -2.97 1.61 9.36 -1.26 -4.87 117.16 118.57 1c9f n TYR 84 Ca 0.00 0.53 -0.37 0.00 3.32 0.00 0.00 57.90 61.38 1c9f n TYR 84 Cb 0.00 -2.21 -0.06 0.00 -0.63 0.00 0.00 39.34 36.44 1c9f n TYR 84 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1c9f s VAL 85 N -1.32 4.40 -0.72 2.97 -7.23 -1.26 -4.93 120.40 112.30 1c9f s VAL 85 Ca 0.65 1.57 0.01 0.00 -1.81 0.00 0.00 61.98 62.40 1c9f s VAL 85 Cb -0.53 -3.99 0.36 0.00 0.56 0.00 0.00 36.38 32.78 1c9f s VAL 85 CO 0.56 0.28 1.58 -1.54 -0.31 0.00 0.00 175.10 175.67 1c9f n SER 86 N 0.93 6.27 0.00 4.85 3.41 -1.26 -5.18 113.62 122.64 1c9f n SER 86 Ca -0.02 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 1c9f n SER 86 Cb 0.50 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1c9f n SER 86 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35