#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 0.29 -2.61 -2.70 0.00 0.00 -1.26 -4.91 120.51 109.31 1c9f n ALA 3 Ca 0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 1c9f n ALA 3 Cb 0.00 -2.95 -0.08 0.00 0.00 0.00 0.00 19.45 16.42 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 -3.44 5.36 0.74 0.00 1.01 -1.26 -5.09 120.40 117.72 1c9f s VAL 4 Ca 0.43 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 1c9f s VAL 4 Cb -0.21 -3.52 0.17 0.00 0.00 0.00 0.00 36.38 32.81 1c9f s VAL 4 CO 0.92 0.39 1.00 0.18 0.00 0.00 0.00 175.10 177.59 1c9f n LEU 5 N 3.84 0.00 -3.57 3.92 7.99 -1.26 -5.03 117.00 122.89 1c9f n LEU 5 Ca -0.14 -1.20 -0.27 0.00 -0.01 0.00 0.00 56.01 54.38 1c9f n LEU 5 Cb 0.52 -0.75 -0.09 0.00 -0.11 0.00 0.00 43.42 42.98 1c9f n LEU 5 CO 0.37 -1.19 0.00 0.54 -1.51 0.00 0.00 177.39 175.60 1c9f n ARG 6 N -3.09 2.11 -0.88 3.23 5.12 -1.26 -5.04 116.66 116.84 1c9f n ARG 6 Ca 0.13 -4.47 0.00 0.00 -1.93 0.00 0.00 57.85 51.57 1c9f n ARG 6 Cb 0.45 -2.19 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 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 1.32 -2.46 -2.34 5.56 7.27 -1.26 -4.82 117.38 120.66 1c9f n GLN 7 Ca 0.26 1.86 -0.42 0.00 0.07 0.00 0.00 57.00 58.77 1c9f n GLN 7 Cb 0.40 -2.18 -0.03 0.00 2.41 0.00 0.00 30.24 30.84 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 -4.75 4.29 0.52 3.69 0.04 -1.26 -4.77 135.00 132.77 1c9f s PRO 8 Ca 0.00 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 1c9f s PRO 8 Cb 0.00 -3.64 -0.07 0.00 0.04 0.00 0.00 34.50 30.83 1c9f s PRO 8 CO 0.00 -0.58 0.96 0.21 0.04 0.00 0.00 177.00 177.64 1c9f s LYS 9 N 2.71 3.84 0.12 4.56 2.20 -1.01 -4.72 119.74 127.44 1c9f s LYS 9 Ca 0.59 0.83 0.08 0.00 -0.36 0.00 0.00 55.97 57.12 1c9f s LYS 9 Cb -0.27 -2.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 1c9f s LYS 9 CO 0.22 -0.31 -0.20 0.00 -0.36 0.00 0.00 175.35 174.71 1c9f s VAL 11 N -1.48 0.08 -0.53 0.00 -7.23 0.48 0.17 120.40 111.89 1c9f s VAL 11 Ca 0.09 -0.66 -0.16 0.00 -1.81 0.00 0.00 61.98 59.44 1c9f s VAL 11 Cb -0.08 -0.41 0.11 0.00 0.56 0.00 0.00 36.38 36.55 1c9f s VAL 11 CO 0.05 -0.36 0.50 -0.54 -0.31 0.00 0.00 175.10 174.44 1c9f s LYS 12 N -1.30 3.00 -1.35 4.82 -0.14 0.26 -0.97 119.74 124.06 1c9f s LYS 12 Ca -0.14 -1.57 -0.17 0.00 -1.36 0.00 0.00 55.97 52.73 1c9f s LYS 12 Cb -0.07 -4.26 0.04 0.00 -1.68 0.00 0.00 37.83 31.86 1c9f s LYS 12 CO 0.01 -1.29 1.97 -0.11 -0.76 0.00 0.00 175.35 175.18 1c9f n LEU 13 N 5.37 5.68 -4.88 3.17 7.94 -0.66 -0.68 117.00 132.95 1c9f n LEU 13 Ca -0.13 -3.95 -0.30 0.00 -1.11 0.00 0.00 56.01 50.52 1c9f n LEU 13 Cb 0.41 -1.69 -0.01 0.00 0.53 0.00 0.00 43.42 42.66 1c9f n LEU 13 CO 0.53 0.47 0.56 -0.60 -1.11 0.00 0.00 177.39 177.24 1c9f s ARG 14 N 3.89 3.71 -0.06 1.96 6.06 0.46 -0.90 118.95 134.08 1c9f s ARG 14 Ca 0.52 0.57 -0.01 0.00 -2.50 0.00 0.00 55.73 54.30 1c9f s ARG 14 Cb 0.09 -2.26 0.03 0.00 0.06 0.00 0.00 34.95 32.86 1c9f s ARG 14 CO 0.01 -0.26 -0.00 0.00 -2.50 0.00 0.00 175.30 172.55 1c9f s ALA 15 N -2.71 0.63 0.28 6.12 0.00 -1.05 -0.53 121.76 124.49 1c9f s ALA 15 Ca 0.53 -0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.51 1c9f s ALA 15 Cb -0.10 -0.65 0.40 0.00 0.00 0.00 0.00 23.12 22.77 1c9f s ALA 15 CO 0.40 -0.36 1.64 -0.07 0.00 0.00 0.00 175.76 177.38 1c9f h LEU 16 N 8.06 0.06 0.00 0.00 3.38 -1.84 -2.56 115.31 122.40 1c9f h LEU 16 Ca -0.24 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1c9f h LEU 16 Cb 1.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1c9f h LEU 16 CO 0.31 0.61 0.00 1.57 0.09 0.00 0.00 178.44 181.02 1c9f n HIS 17 N -3.87 0.00 -3.38 1.13 -0.00 -1.26 -4.82 115.22 103.02 1c9f n HIS 17 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1c9f n HIS 17 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 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 -0.71 1.28 -1.30 0.26 7.64 -0.97 -5.07 113.62 114.75 1c9f n SER 18 Ca 0.10 -0.38 -0.01 0.00 1.01 0.00 0.00 58.87 59.59 1c9f n SER 18 Cb 0.05 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.36 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 3.57 -3.00 -0.43 0.00 -1.26 -4.94 120.51 111.45 1c9f n ALA 19 Ca 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1c9f n ALA 19 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.00 0.00 -3.24 0.00 0.00 -1.26 -2.54 118.16 111.12 1c9f n LYS 21 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1c9f n LYS 21 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 1c9f n LYS 21 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1c9f s PHE 22 N -3.25 -1.25 -0.69 5.58 5.36 -0.08 -4.89 117.98 118.77 1c9f s PHE 22 Ca 0.00 -0.14 -0.26 0.00 -0.96 0.00 0.00 56.93 55.57 1c9f s PHE 22 Cb 0.00 0.08 -0.05 0.00 -0.34 0.00 0.00 43.02 42.71 1c9f s PHE 22 CO 0.00 -1.11 2.07 0.20 -1.46 0.00 0.00 175.22 174.91 1c9f s GLY 23 N 1.66 -0.07 0.11 13.12 0.00 -1.26 -1.65 107.32 119.22 1c9f s GLY 23 Ca 0.17 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1c9f s GLY 23 CO -0.06 3.69 0.10 0.54 0.00 0.00 0.00 173.10 177.37 1c9f s VAL 24 N 10.74 4.49 0.14 1.40 0.11 -0.14 -4.89 120.40 132.25 1c9f s VAL 24 Ca 0.77 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1c9f s VAL 24 Cb -0.12 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 1c9f s VAL 24 CO 0.14 0.04 -0.05 0.00 -3.33 0.00 0.00 175.10 171.90 1c9f s ALA 25 N -1.52 1.28 -0.29 1.54 0.00 -1.26 -0.38 121.76 121.12 1c9f s ALA 25 Ca 0.30 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 1c9f s ALA 25 Cb -0.11 0.28 0.19 0.00 0.00 0.00 0.00 23.12 23.48 1c9f s ALA 25 CO 0.22 -0.23 1.42 0.00 0.00 0.00 0.00 175.76 177.18 1c9f s ALA 26 N -3.54 -2.20 0.05 0.00 0.00 -0.07 -4.89 121.76 111.11 1c9f s ALA 26 Ca 0.18 1.72 -0.15 0.00 0.00 0.00 0.00 51.96 53.71 1c9f s ALA 26 Cb 0.05 -1.73 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 1c9f s ALA 26 CO 0.00 -0.13 1.25 0.00 0.00 0.00 0.00 175.76 176.89 1c9f h ARG 27 N 2.94 -0.25 -6.23 0.00 -0.00 -1.86 -2.68 114.38 106.31 1c9f h ARG 27 Ca -0.24 0.02 -0.57 0.00 -0.50 0.00 0.00 59.98 58.70 1c9f h ARG 27 Cb 1.19 0.06 -0.09 0.00 0.00 0.00 0.00 29.97 31.13 1c9f h ARG 27 CO 0.19 -0.17 1.27 0.45 0.00 0.00 0.00 179.97 181.71 1c9f s SER 28 N -3.61 6.30 0.57 7.04 0.15 -1.26 -4.21 113.70 118.68 1c9f s SER 28 Ca -0.07 -0.93 0.41 0.00 0.70 0.00 0.00 55.95 56.07 1c9f s SER 28 Cb 0.03 -2.56 1.47 0.00 -1.71 0.00 0.00 66.02 63.25 1c9f s SER 28 CO 0.28 -1.70 1.53 0.00 1.20 0.00 0.00 173.24 174.55 1c9f h GLN 30 N 0.00 0.00 -0.04 0.00 4.15 -1.88 -2.04 115.11 115.31 1c9f h GLN 30 Ca 0.74 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 60.07 1c9f h GLN 30 Cb 3.28 0.00 0.01 0.00 0.21 0.00 0.00 27.48 30.98 1c9f h GLN 30 CO -0.01 0.00 -0.34 1.49 -1.93 0.00 0.00 178.83 178.04 1c9f h GLU 31 N 0.00 0.30 -0.65 1.69 4.57 0.13 -2.75 114.58 117.86 1c9f h GLU 31 Ca 0.04 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1c9f h GLU 31 Cb 0.25 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1c9f h GLU 31 CO -0.00 0.94 0.37 -0.07 -1.18 0.00 0.00 179.01 179.08 1c9f h LEU 32 N -0.25 0.79 0.69 1.64 3.38 -1.50 -0.53 115.31 119.53 1c9f h LEU 32 Ca -0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1c9f h LEU 32 Cb 1.03 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1c9f h LEU 32 CO 0.07 0.62 -0.33 -0.07 0.09 0.00 0.00 178.44 178.82 1c9f h LEU 33 N 0.90 -0.78 0.00 1.67 3.38 -1.50 0.14 115.31 119.12 1c9f h LEU 33 Ca 0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1c9f h LEU 33 Cb -0.01 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1c9f h LEU 33 CO -0.04 -0.40 0.00 0.54 0.09 0.00 0.00 178.44 178.63 1c9f n ARG 34 N -5.39 0.00 -0.43 1.13 5.12 -1.04 -1.35 116.66 114.71 1c9f n ARG 34 Ca -0.12 0.55 0.38 0.00 -1.93 0.00 0.00 57.85 56.73 1c9f n ARG 34 Cb 0.37 -1.47 0.71 0.00 -1.16 0.00 0.00 32.46 30.91 1c9f n ARG 34 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1c9f h LYS 35 N 0.00 0.07 0.12 5.56 1.57 -1.23 0.41 116.57 123.07 1c9f h LYS 35 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1c9f h LYS 35 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1c9f h LYS 35 CO 0.00 0.05 -0.06 0.78 -0.57 0.00 0.00 179.45 179.65 1c9f h GLY 36 N 0.08 -0.17 2.00 3.86 0.00 0.16 -0.60 103.07 108.40 1c9f h GLY 36 Ca 0.70 0.06 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1c9f h GLY 36 CO -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.36 1c9f h VAL 38 N 0.00 1.58 -0.04 0.00 2.07 -0.35 0.21 116.25 119.70 1c9f h VAL 38 Ca 0.00 -2.46 -0.16 0.00 0.82 0.00 0.00 66.70 64.90 1c9f h VAL 38 Cb 0.23 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1c9f h VAL 38 CO 0.00 0.67 -0.69 -0.09 0.02 0.00 0.00 177.57 177.48 1c9f h ARG 39 N -0.60 0.21 0.00 1.57 1.12 -0.83 -3.00 114.38 112.85 1c9f h ARG 39 Ca -0.11 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 1c9f h ARG 39 Cb 1.42 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.41 1c9f h ARG 39 CO 0.09 0.82 -0.56 1.19 -3.11 0.00 0.00 179.97 178.39 1c9f n PHE 40 N -3.80 0.05 -3.07 2.20 3.01 -0.19 -5.01 117.46 110.65 1c9f n PHE 40 Ca -0.03 0.01 -0.16 0.00 1.01 0.00 0.00 57.45 58.29 1c9f n PHE 40 Cb 0.68 -0.27 0.02 0.00 -0.01 0.00 0.00 39.48 39.89 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 -1.56 -2.20 -3.97 -1.08 3.00 0.67 -4.98 117.38 107.26 1c9f n GLN 41 Ca 0.05 1.87 -0.31 0.00 -0.01 0.00 0.00 57.00 58.61 1c9f n GLN 41 Cb 0.35 -4.01 -0.16 0.00 0.00 0.00 0.00 30.24 26.42 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1c9f s LEU 42 N -2.24 2.60 0.78 1.08 1.98 -0.85 -5.02 118.68 117.01 1c9f s LEU 42 Ca 0.23 -1.12 -0.11 0.00 -2.89 0.00 0.00 54.13 50.23 1c9f s LEU 42 Cb -0.04 -1.24 0.06 0.00 0.66 0.00 0.00 46.19 45.63 1c9f s LEU 42 CO 0.72 -0.21 1.08 -2.16 -1.89 0.00 0.00 176.35 173.90 1c9f s PRO 43 N 1.36 2.25 -0.09 0.98 0.04 -1.26 -4.98 135.00 133.30 1c9f s PRO 43 Ca -0.05 0.88 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 1c9f s PRO 43 Cb -0.18 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.29 1c9f s PRO 43 CO -0.07 -1.57 0.66 1.98 0.04 0.00 0.00 177.00 178.05 1c9f h MET 44 N -1.06 -0.10 -7.16 4.56 4.05 -2.00 -3.39 114.93 109.83 1c9f h MET 44 Ca -0.46 0.01 -0.47 0.00 -0.28 0.00 0.00 59.70 58.50 1c9f h MET 44 Cb 1.24 0.02 0.03 0.00 -0.80 0.00 0.00 31.60 32.10 1c9f h MET 44 CO 0.56 0.40 0.37 -1.25 0.23 0.00 0.00 176.91 177.22 1c9f s PRO 45 N -2.69 3.77 -1.23 0.39 0.04 -1.26 -3.48 135.00 130.54 1c9f s PRO 45 Ca -0.12 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1c9f s PRO 45 Cb -0.01 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1c9f s PRO 45 CO 0.44 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1c9f n GLY 46 N -1.11 -0.37 3.69 0.56 0.00 -1.26 -4.90 105.19 101.80 1c9f n GLY 46 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1c9f n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c9f s SER 47 N -2.04 -0.01 0.00 1.61 0.01 -1.23 -3.47 113.70 108.57 1c9f s SER 47 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1c9f s SER 47 Cb 0.00 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.91 1c9f s SER 47 CO 0.00 -1.31 0.00 -1.14 0.41 0.00 0.00 173.24 171.20 1c9f n ARG 48 N -0.45 0.00 -3.90 12.44 0.63 0.97 -4.74 116.66 121.61 1c9f n ARG 48 Ca -0.03 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.55 1c9f n ARG 48 Cb 0.61 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.38 1c9f n ARG 48 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1c9f s LEU 49 N 0.00 3.03 0.16 6.15 1.02 -0.69 -0.70 118.68 127.65 1c9f s LEU 49 Ca 0.00 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.69 1c9f s LEU 49 Cb 0.00 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 1c9f s LEU 49 CO 0.00 -0.05 0.20 0.00 0.02 0.00 0.00 176.35 176.52 1c9f s LEU 51 N -3.18 4.19 0.00 0.00 0.20 0.59 -0.72 118.68 119.76 1c9f s LEU 51 Ca 0.32 1.26 0.20 0.00 0.69 0.00 0.00 54.13 56.60 1c9f s LEU 51 Cb -0.10 -3.32 1.17 0.00 -0.43 0.00 0.00 46.19 43.51 1c9f s LEU 51 CO 0.26 -0.41 1.58 0.00 -0.29 0.00 0.00 176.35 177.48 1c9f n TYR 52 N 5.18 0.00 0.28 5.38 9.36 -0.79 -2.00 117.16 134.58 1c9f n TYR 52 Ca 0.06 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.11 1c9f n TYR 52 Cb 0.49 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.11 1c9f n TYR 52 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1c9f h GLU 53 N 0.00 -0.65 0.00 2.98 4.57 -1.91 -3.37 114.58 116.20 1c9f h GLU 53 Ca 0.00 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1c9f h GLU 53 Cb 0.00 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1c9f h GLU 53 CO 0.00 -0.43 -0.40 -0.25 -1.18 0.00 0.00 179.01 176.75 1c9f n ASP 54 N -5.38 0.04 -0.18 1.04 8.00 -1.24 -4.30 116.55 114.52 1c9f n ASP 54 Ca -0.12 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1c9f n ASP 54 Cb 0.28 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1c9f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c9f n GLY 55 N 0.04 0.98 3.89 0.44 0.00 -1.03 -4.09 105.19 105.42 1c9f n GLY 55 Ca -0.01 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 3.93 -0.08 2.61 2.01 -0.85 -4.78 115.64 116.12 1c9f s THR 56 Ca 0.00 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1c9f s THR 56 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1c9f s THR 56 CO 0.00 -0.73 -0.17 -1.83 -0.69 0.00 0.00 174.62 171.20 1c9f s GLU 57 N -5.18 2.84 0.36 4.92 -1.05 -1.26 -0.30 118.70 119.04 1c9f s GLU 57 Ca 0.55 -0.76 -0.08 0.00 -0.15 0.00 0.00 54.97 54.53 1c9f s GLU 57 Cb -0.11 -2.40 0.02 0.00 -0.44 0.00 0.00 34.13 31.21 1c9f s GLU 57 CO 0.50 0.40 0.61 0.08 0.95 0.00 0.00 175.26 177.80 1c9f s VAL 58 N -0.16 0.00 0.17 1.83 1.01 0.44 -4.82 120.40 118.87 1c9f s VAL 58 Ca -0.02 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.66 1c9f s VAL 58 Cb -0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1c9f s VAL 58 CO 0.04 0.00 -0.08 0.42 0.00 0.00 0.00 175.10 175.48 1c9f s THR 59 N -2.73 1.14 -1.93 3.92 -4.23 -1.25 -1.70 115.64 108.86 1c9f s THR 59 Ca 0.24 -2.06 0.20 0.00 -1.18 0.00 0.00 61.69 58.90 1c9f s THR 59 Cb -0.02 -1.98 0.54 0.00 1.34 0.00 0.00 72.50 72.38 1c9f s THR 59 CO 0.17 -0.64 1.59 -0.90 -0.54 0.00 0.00 174.62 174.30 1c9f n ASP 60 N -0.25 0.00 -0.00 3.99 5.75 -1.26 -2.54 116.55 122.23 1c9f n ASP 60 Ca -0.09 -0.55 0.04 0.00 -0.01 0.00 0.00 54.79 54.18 1c9f n ASP 60 Cb 0.61 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.62 1c9f n ASP 60 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1c9f n ASP 61 N -1.04 0.79 -0.10 -1.12 8.00 -1.26 -4.61 116.55 117.21 1c9f n ASP 61 Ca 0.14 -0.57 -0.17 0.00 0.71 0.00 0.00 54.79 54.90 1c9f n ASP 61 Cb 0.08 1.05 -0.13 0.00 -0.02 0.00 0.00 41.12 42.10 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9f n PHE 63 N -3.21 0.53 -0.01 0.00 3.72 -1.12 -4.77 117.46 112.60 1c9f n PHE 63 Ca -0.41 0.36 -0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1c9f n PHE 63 Cb 1.03 -2.28 -0.00 0.00 -0.94 0.00 0.00 39.48 37.28 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 11.94 0.00 -1.20 -1.08 0.13 -1.94 -3.46 132.00 136.40 1c9f h PRO 64 Ca -0.05 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.68 1c9f h PRO 64 Cb 1.30 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 1c9f h PRO 64 CO 1.40 0.00 -0.88 0.41 -0.23 0.00 0.00 178.00 178.70 1c9f n GLY 65 N 1.92 2.08 3.07 1.56 0.00 -1.26 -4.57 105.19 107.99 1c9f n GLY 65 Ca -0.00 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 0.88 -4.25 -4.77 0.99 4.77 -1.26 -4.90 117.00 108.46 1c9f n LEU 66 Ca 0.17 0.13 -0.31 0.00 -0.03 0.00 0.00 56.01 55.97 1c9f n LEU 66 Cb 0.63 -0.75 0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1c9f n LEU 66 CO 0.13 -4.57 0.69 -2.16 -1.33 0.00 0.00 177.39 170.15 1c9f s PRO 67 N -2.29 2.07 0.66 3.23 0.04 -1.26 -4.83 135.00 132.62 1c9f s PRO 67 Ca 0.42 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 1c9f s PRO 67 Cb -0.10 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 1c9f s PRO 67 CO 0.75 -1.72 -0.05 -1.71 0.04 0.00 0.00 177.00 174.31 1c9f n ASN 68 N -3.55 -3.35 -3.80 6.66 2.85 -1.26 -0.59 115.26 112.22 1c9f n ASN 68 Ca 0.08 0.55 -0.29 0.00 -0.11 0.00 0.00 54.58 54.81 1c9f n ASN 68 Cb 0.54 -0.95 -0.03 0.00 1.24 0.00 0.00 39.78 40.59 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 1.86 -2.78 -4.50 1.20 8.00 0.46 -4.72 116.55 116.08 1c9f n ASP 69 Ca 0.07 -0.67 -0.53 0.00 0.71 0.00 0.00 54.79 54.37 1c9f n ASP 69 Cb 0.50 -2.33 -0.07 0.00 -0.02 0.00 0.00 41.12 39.19 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 -3.77 0.71 -2.60 2.24 0.00 0.24 -4.22 120.51 113.12 1c9f n ALA 70 Ca 0.05 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1c9f n ALA 70 Cb 0.50 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 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 5.48 3.74 0.06 0.00 2.02 -1.26 -0.58 118.70 128.17 1c9f s GLU 71 Ca 1.07 0.53 0.04 0.00 0.02 0.00 0.00 54.97 56.63 1c9f s GLU 71 Cb -0.96 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 29.36 1c9f s GLU 71 CO 0.55 -1.20 -0.02 -0.51 0.02 0.00 0.00 175.26 174.10 1c9f s LEU 72 N 4.00 3.40 -0.07 1.80 1.02 0.15 -1.88 118.68 127.09 1c9f s LEU 72 Ca 0.43 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.43 1c9f s LEU 72 Cb -0.09 -2.09 0.02 0.00 0.02 0.00 0.00 46.19 44.05 1c9f s LEU 72 CO 0.26 0.21 -0.06 -0.22 0.02 0.00 0.00 176.35 176.55 1c9f s LEU 73 N -2.06 1.25 0.15 1.79 2.96 0.10 -0.40 118.68 122.48 1c9f s LEU 73 Ca 0.23 -0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.63 1c9f s LEU 73 Cb -0.12 -0.62 -0.09 0.00 0.50 0.00 0.00 46.19 45.87 1c9f s LEU 73 CO 0.15 -0.07 1.42 -0.22 -1.32 0.00 0.00 176.35 176.31 1c9f s LEU 74 N 1.20 4.38 0.09 -0.68 2.96 0.30 -1.94 118.68 124.99 1c9f s LEU 74 Ca -0.06 2.44 -0.10 0.00 -0.22 0.00 0.00 54.13 56.19 1c9f s LEU 74 Cb -0.14 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1c9f s LEU 74 CO -0.02 -0.67 0.22 -0.22 -1.32 0.00 0.00 176.35 174.33 1c9f s LEU 75 N 0.76 1.29 0.00 -0.68 0.20 0.12 -2.77 118.68 117.59 1c9f s LEU 75 Ca 0.64 -0.58 0.00 0.00 0.69 0.00 0.00 54.13 54.88 1c9f s LEU 75 Cb -0.39 1.13 0.00 0.00 -0.43 0.00 0.00 46.19 46.50 1c9f s LEU 75 CO 0.33 -0.73 0.37 0.35 -0.29 0.00 0.00 176.35 176.39 1c9f n THR 76 N -0.01 0.00 -0.07 3.68 -2.24 -1.25 -0.02 114.28 114.37 1c9f n THR 76 Ca -0.16 -1.60 0.04 0.00 -2.27 0.00 0.00 64.05 60.06 1c9f n THR 76 Cb 0.62 0.94 0.39 0.00 -2.10 0.00 0.00 70.33 70.17 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 1.92 1.67 -0.15 6.98 0.00 -1.85 0.16 119.26 128.00 1c9f h ALA 77 Ca -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1c9f h ALA 77 Cb 0.99 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1c9f h ALA 77 CO 0.30 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1c9f n GLY 78 N -1.46 -0.04 3.07 0.00 0.00 -1.26 -4.82 105.19 100.67 1c9f n GLY 78 Ca 0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.75 0.50 -0.12 1.61 2.02 0.55 -5.16 118.70 116.36 1c9f s GLU 79 Ca 0.10 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.17 1c9f s GLU 79 Cb 0.06 0.19 0.04 0.00 0.10 0.00 0.00 34.13 34.51 1c9f s GLU 79 CO 0.07 -0.11 0.38 0.95 0.02 0.00 0.00 175.26 176.56 1c9f s THR 80 N -2.46 0.01 -0.13 3.63 -4.23 -1.26 -4.03 115.64 107.16 1c9f s THR 80 Ca -0.06 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1c9f s THR 80 Cb -0.02 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.25 1c9f s THR 80 CO -0.04 -0.04 -0.14 0.86 -0.54 0.00 0.00 174.62 174.72 1c9f s TRP 81 N -0.04 2.80 0.00 3.99 -0.00 -1.26 -5.05 118.94 119.38 1c9f s TRP 81 Ca -0.02 -0.69 -0.00 0.00 -0.00 0.00 0.00 56.10 55.38 1c9f s TRP 81 Cb -0.03 -1.84 -0.00 0.00 -0.00 0.00 0.00 33.47 31.60 1c9f s TRP 81 CO 0.01 -0.24 0.66 1.25 -0.00 0.00 0.00 176.95 178.63 1c9f h HIS 82 N 6.76 -0.01 0.00 5.86 -0.00 -1.98 -3.48 115.15 122.31 1c9f h HIS 82 Ca -0.26 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1c9f h HIS 82 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1c9f h HIS 82 CO 0.50 -0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.84 1c9f n GLY 83 N 0.02 3.95 3.77 5.26 0.00 -1.26 -4.46 105.19 112.48 1c9f n GLY 83 Ca -0.00 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.18 2.86 -0.18 1.61 5.04 -1.26 -4.65 117.35 120.59 1c9f s TYR 84 Ca 0.00 1.32 -0.14 0.00 -2.44 0.00 0.00 57.07 55.81 1c9f s TYR 84 Cb 0.00 -3.81 -0.04 0.00 0.35 0.00 0.00 41.96 38.46 1c9f s TYR 84 CO 0.00 -2.30 0.31 0.14 -1.34 0.00 0.00 175.55 172.36 1c9f s VAL 85 N -1.14 5.28 -0.38 3.14 -7.23 -1.26 -4.39 120.40 114.42 1c9f s VAL 85 Ca 0.51 0.56 0.12 0.00 -1.81 0.00 0.00 61.98 61.36 1c9f s VAL 85 Cb -0.42 -3.65 0.43 0.00 0.56 0.00 0.00 36.38 33.30 1c9f s VAL 85 CO 0.57 0.34 1.01 -1.20 -0.31 0.00 0.00 175.10 175.50 1c9f n SER 86 N 3.95 2.89 -0.32 4.85 7.64 -1.26 -5.13 113.62 126.24 1c9f n SER 86 Ca -0.11 -3.18 0.15 0.00 1.01 0.00 0.00 58.87 56.74 1c9f n SER 86 Cb 0.52 -0.51 0.67 0.00 -1.01 0.00 0.00 64.21 63.88 1c9f n SER 86 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36