#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 4.59 -2.92 -3.38 0.00 0.00 -1.26 -5.01 120.51 112.53 1c9f n ALA 3 Ca -0.17 0.52 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 1c9f n ALA 3 Cb 0.56 -1.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.69 -0.42 0.51 0.00 0.11 -1.26 -5.15 120.40 112.51 1c9f s VAL 4 Ca 0.10 -0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1c9f s VAL 4 Cb -0.02 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1c9f s VAL 4 CO 0.62 -0.47 0.75 -0.76 -3.33 0.00 0.00 175.10 171.91 1c9f s LEU 5 N 2.24 3.44 -1.55 2.54 1.43 -1.26 -4.96 118.68 120.56 1c9f s LEU 5 Ca 0.11 0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 53.38 1c9f s LEU 5 Cb -0.14 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 1c9f s LEU 5 CO -0.28 -0.93 2.85 0.54 0.23 0.00 0.00 176.35 178.77 1c9f n ARG 6 N -2.27 3.88 -0.38 1.70 5.12 -1.26 -4.88 116.66 118.58 1c9f n ARG 6 Ca 0.04 -2.46 0.04 0.00 -1.93 0.00 0.00 57.85 53.55 1c9f n ARG 6 Cb 0.58 -2.76 -0.02 0.00 -1.16 0.00 0.00 32.46 29.10 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 3.17 -0.90 -2.29 5.56 7.27 -1.26 -4.85 117.38 124.08 1c9f n GLN 7 Ca 0.75 0.73 -0.41 0.00 0.07 0.00 0.00 57.00 58.14 1c9f n GLN 7 Cb 0.24 -1.03 -0.03 0.00 2.41 0.00 0.00 30.24 31.83 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 -3.45 4.43 0.35 3.69 0.04 -1.26 -4.83 135.00 133.97 1c9f s PRO 8 Ca 0.00 1.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 1c9f s PRO 8 Cb 0.00 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 1c9f s PRO 8 CO 0.00 -0.20 0.72 0.21 0.04 0.00 0.00 177.00 177.77 1c9f s LYS 9 N -0.03 3.85 0.17 4.56 2.36 -1.10 -4.80 119.74 124.76 1c9f s LYS 9 Ca 0.56 0.49 0.10 0.00 -2.55 0.00 0.00 55.97 54.57 1c9f s LYS 9 Cb -0.34 -2.45 -0.04 0.00 -1.05 0.00 0.00 37.83 33.94 1c9f s LYS 9 CO 0.37 0.09 -0.23 0.00 1.55 0.00 0.00 175.35 177.13 1c9f s VAL 11 N -1.66 -0.03 -0.58 0.00 -7.23 -0.22 0.20 120.40 110.88 1c9f s VAL 11 Ca 0.17 0.10 -0.17 0.00 -1.81 0.00 0.00 61.98 60.27 1c9f s VAL 11 Cb -0.08 -0.40 0.12 0.00 0.56 0.00 0.00 36.38 36.58 1c9f s VAL 11 CO 0.08 0.04 0.61 -0.54 -0.31 0.00 0.00 175.10 174.98 1c9f s LYS 12 N 0.96 3.04 -0.86 4.82 -0.14 0.36 -1.35 119.74 126.57 1c9f s LYS 12 Ca -0.07 -1.56 -0.24 0.00 -1.36 0.00 0.00 55.97 52.74 1c9f s LYS 12 Cb -0.08 -4.30 0.05 0.00 -1.68 0.00 0.00 37.83 31.83 1c9f s LYS 12 CO -0.06 -1.43 1.31 -0.51 -0.76 0.00 0.00 175.35 173.89 1c9f s LEU 13 N 2.07 3.57 0.36 3.17 1.02 -1.03 -2.04 118.68 125.79 1c9f s LEU 13 Ca 0.08 -1.04 -0.03 0.00 0.02 0.00 0.00 54.13 53.15 1c9f s LEU 13 Cb -0.26 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.36 1c9f s LEU 13 CO 0.04 -1.60 0.61 -0.60 0.02 0.00 0.00 176.35 174.82 1c9f s ARG 14 N 5.02 3.57 -0.10 1.70 6.06 0.03 0.17 118.95 135.40 1c9f s ARG 14 Ca 0.38 -0.04 -0.04 0.00 -2.50 0.00 0.00 55.73 53.53 1c9f s ARG 14 Cb -0.05 -2.58 0.05 0.00 0.06 0.00 0.00 34.95 32.43 1c9f s ARG 14 CO 0.02 0.09 0.20 0.00 -2.50 0.00 0.00 175.30 173.11 1c9f s ALA 15 N -2.32 -0.32 0.04 6.12 0.00 -1.02 -0.01 121.76 124.26 1c9f s ALA 15 Ca 0.44 0.71 0.31 0.00 0.00 0.00 0.00 51.96 53.42 1c9f s ALA 15 Cb -0.10 -0.89 1.52 0.00 0.00 0.00 0.00 23.12 23.64 1c9f s ALA 15 CO 0.35 -0.59 1.95 -0.07 0.00 0.00 0.00 175.76 177.39 1c9f h LEU 16 N 8.33 0.00 0.00 0.00 3.38 -1.89 -0.67 115.31 124.46 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 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1c9f h LEU 16 CO 0.14 0.00 0.00 1.57 0.09 0.00 0.00 178.44 180.24 1c9f n HIS 17 N -2.68 0.00 -2.92 1.13 -0.00 -1.26 -4.84 115.22 104.66 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 0.16 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.00 1c9f n HIS 17 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1c9f n SER 18 N -1.03 0.53 -1.42 0.26 2.88 -0.26 -5.07 113.62 109.52 1c9f n SER 18 Ca 0.23 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.72 1c9f n SER 18 Cb 0.12 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.69 1c9f n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c9f n ALA 19 N -3.00 3.78 -3.00 -1.46 0.00 -1.26 -4.92 120.51 110.64 1c9f n ALA 19 Ca 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1c9f n ALA 19 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.64 0.00 2.85 -1.26 -2.42 118.16 113.69 1c9f n LYS 21 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 1c9f n LYS 21 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 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 -1.98 2.23 -0.97 5.58 5.36 0.45 -4.85 117.98 123.80 1c9f s PHE 22 Ca 0.00 -2.76 -0.25 0.00 -0.96 0.00 0.00 56.93 52.96 1c9f s PHE 22 Cb 0.00 -1.78 -0.13 0.00 -0.34 0.00 0.00 43.02 40.77 1c9f s PHE 22 CO 0.00 -0.70 2.14 0.20 -1.46 0.00 0.00 175.22 175.39 1c9f s GLY 23 N -0.54 -0.50 0.03 13.12 0.00 -1.26 -2.47 107.32 115.70 1c9f s GLY 23 Ca 0.28 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.62 1c9f s GLY 23 CO -0.16 3.96 0.02 0.54 0.00 0.00 0.00 173.10 177.46 1c9f s VAL 24 N 13.65 4.26 0.28 1.40 0.11 -0.46 -4.89 120.40 134.76 1c9f s VAL 24 Ca 0.80 -0.67 0.08 0.00 -2.93 0.00 0.00 61.98 59.25 1c9f s VAL 24 Cb -0.07 -2.96 -0.06 0.00 -1.53 0.00 0.00 36.38 31.77 1c9f s VAL 24 CO 0.10 0.29 -0.09 0.00 -3.33 0.00 0.00 175.10 172.06 1c9f s ALA 25 N -1.19 2.46 0.00 1.54 0.00 -1.26 -1.06 121.76 122.25 1c9f s ALA 25 Ca 0.23 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1c9f s ALA 25 Cb -0.12 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1c9f s ALA 25 CO 0.14 0.01 0.00 0.00 0.00 0.00 0.00 175.76 175.91 1c9f n ALA 26 N -0.60 0.00 0.15 0.00 0.00 -0.10 -4.88 120.51 115.07 1c9f n ALA 26 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1c9f n ALA 26 Cb 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 1c9f n ALA 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1c9f h ARG 27 N 0.00 -0.68 -6.02 0.00 9.65 -1.88 -2.91 114.38 112.54 1c9f h ARG 27 Ca 0.00 0.05 -0.48 0.00 -1.10 0.00 0.00 59.98 58.44 1c9f h ARG 27 Cb 0.00 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.67 1c9f h ARG 27 CO 0.00 -0.45 1.16 -1.12 2.80 0.00 0.00 179.97 182.36 1c9f s SER 28 N -4.19 5.82 0.54 -3.80 0.01 -1.26 -4.36 113.70 106.46 1c9f s SER 28 Ca -0.14 -0.70 0.47 0.00 1.31 0.00 0.00 55.95 56.89 1c9f s SER 28 Cb 0.05 -2.56 1.69 0.00 0.21 0.00 0.00 66.02 65.41 1c9f s SER 28 CO 0.50 -2.09 1.60 0.00 0.41 0.00 0.00 173.24 173.66 1c9f h GLN 30 N 0.01 0.69 -0.34 0.00 4.20 -1.91 0.01 115.11 117.77 1c9f h GLN 30 Ca 0.90 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 59.48 1c9f h GLN 30 Cb 3.52 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 31.13 1c9f h GLN 30 CO -0.06 0.46 -0.14 0.93 -0.67 0.00 0.00 178.83 179.35 1c9f h GLU 31 N 0.71 0.69 -0.53 1.46 3.07 0.12 -1.73 114.58 118.38 1c9f h GLU 31 Ca 0.53 -0.29 0.09 0.00 -0.50 0.00 0.00 59.36 59.18 1c9f h GLU 31 Cb 0.88 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.69 1c9f h GLU 31 CO -0.29 0.89 0.15 -0.07 -1.40 0.00 0.00 179.01 178.28 1c9f h LEU 32 N 0.47 0.09 0.19 1.33 3.38 -1.07 0.12 115.31 119.81 1c9f h LEU 32 Ca 0.08 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1c9f h LEU 32 Cb 0.66 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1c9f h LEU 32 CO 0.04 0.07 -0.09 -0.07 0.09 0.00 0.00 178.44 178.48 1c9f h LEU 33 N 0.30 -0.22 -0.11 1.67 3.38 -1.27 -0.75 115.31 118.33 1c9f h LEU 33 Ca 0.27 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.26 1c9f h LEU 33 Cb 0.34 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1c9f h LEU 33 CO -0.31 -0.11 -0.10 -0.09 0.09 0.00 0.00 178.44 177.92 1c9f h ARG 34 N -0.35 -0.04 -1.03 1.13 9.65 -1.24 1.33 114.38 123.83 1c9f h ARG 34 Ca -0.03 0.00 0.30 0.00 -1.10 0.00 0.00 59.98 59.15 1c9f h ARG 34 Cb 0.19 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 1c9f h ARG 34 CO 0.04 -0.03 0.88 0.87 2.80 0.00 0.00 179.97 184.54 1c9f h LYS 35 N -0.04 0.00 0.38 0.20 1.57 -0.89 0.13 116.57 117.91 1c9f h LYS 35 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1c9f h LYS 35 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1c9f h LYS 35 CO -0.12 0.00 -0.18 0.78 -0.57 0.00 0.00 179.45 179.36 1c9f h GLY 36 N 0.00 -0.53 2.00 3.86 0.00 0.32 -0.03 103.07 108.70 1c9f h GLY 36 Ca 0.49 0.20 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1c9f h GLY 36 CO -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.34 1c9f h VAL 38 N 0.00 0.88 0.00 0.00 2.07 -0.87 0.22 116.25 118.54 1c9f h VAL 38 Ca 0.00 -1.94 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 1c9f h VAL 38 Cb 0.04 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1c9f h VAL 38 CO 0.00 0.30 -0.18 0.03 0.02 0.00 0.00 177.57 177.74 1c9f h ARG 39 N -1.00 0.00 0.00 1.57 2.47 -0.67 -2.51 114.38 114.24 1c9f h ARG 39 Ca -0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1c9f h ARG 39 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 1c9f h ARG 39 CO -0.12 0.18 -1.81 1.19 0.56 0.00 0.00 179.97 179.96 1c9f n PHE 40 N -4.22 0.07 -2.75 3.04 3.01 -0.53 -5.05 117.46 111.02 1c9f n PHE 40 Ca -0.02 0.02 -0.03 0.00 1.01 0.00 0.00 57.45 58.42 1c9f n PHE 40 Cb 0.25 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 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 -2.20 -3.00 -3.85 -1.08 3.00 0.69 -4.99 117.38 105.95 1c9f n GLN 41 Ca -0.03 2.50 -0.30 0.00 -0.01 0.00 0.00 57.00 59.16 1c9f n GLN 41 Cb 0.54 -5.46 -0.14 0.00 0.00 0.00 0.00 30.24 25.18 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 -2.02 3.55 0.00 1.08 1.98 -0.76 -5.00 118.68 117.51 1c9f s LEU 42 Ca 0.10 -2.61 0.00 0.00 -2.89 0.00 0.00 54.13 48.74 1c9f s LEU 42 Cb -0.03 -1.33 0.00 0.00 0.66 0.00 0.00 46.19 45.49 1c9f s LEU 42 CO 0.77 -0.28 0.00 -0.81 -1.89 0.00 0.00 176.35 174.13 1c9f n PRO 43 N 3.61 0.92 -2.20 0.98 -0.04 -1.26 -4.99 135.00 132.02 1c9f n PRO 43 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 1c9f n PRO 43 Cb 0.35 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.83 1c9f n PRO 43 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1c9f n MET 44 N -0.07 3.48 0.00 0.54 1.56 -1.26 -4.65 117.12 116.72 1c9f n MET 44 Ca 0.00 -4.25 0.14 0.00 -0.27 0.00 0.00 57.70 53.32 1c9f n MET 44 Cb 0.00 -2.24 0.81 0.00 2.15 0.00 0.00 33.22 33.94 1c9f n MET 44 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1c9f n PRO 45 N -0.62 0.82 0.00 2.12 -0.04 -1.26 -4.73 135.00 131.28 1c9f n PRO 45 Ca 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1c9f n PRO 45 Cb 0.86 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1c9f n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c9f n GLY 46 N 0.74 0.73 0.00 0.55 0.00 -1.26 -4.96 105.19 101.00 1c9f n GLY 46 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1c9f n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1c9f n SER 47 N 0.00 -0.13 0.00 1.61 7.64 -1.26 -3.56 113.62 117.92 1c9f n SER 47 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1c9f n SER 47 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1c9f n SER 47 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1c9f n ARG 48 N -0.25 0.00 -4.61 1.43 1.74 0.76 -4.70 116.66 111.04 1c9f n ARG 48 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1c9f n ARG 48 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1c9f n ARG 48 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1c9f s LEU 49 N 0.00 2.81 0.00 0.55 1.02 -0.40 -0.41 118.68 122.25 1c9f s LEU 49 Ca 0.00 -1.38 -0.01 0.00 0.02 0.00 0.00 54.13 52.76 1c9f s LEU 49 Cb 0.00 -0.86 0.01 0.00 0.02 0.00 0.00 46.19 45.36 1c9f s LEU 49 CO 0.00 -0.47 0.45 0.00 0.02 0.00 0.00 176.35 176.35 1c9f s LEU 51 N 0.00 2.50 0.00 0.00 0.20 0.55 -1.25 118.68 120.68 1c9f s LEU 51 Ca 0.27 -0.52 0.12 0.00 0.69 0.00 0.00 54.13 54.69 1c9f s LEU 51 Cb -0.01 -1.60 0.58 0.00 -0.43 0.00 0.00 46.19 44.73 1c9f s LEU 51 CO 0.20 -0.01 1.28 0.00 -0.29 0.00 0.00 176.35 177.53 1c9f n TYR 52 N 4.70 0.00 0.05 5.38 9.36 -0.96 -2.22 117.16 133.46 1c9f n TYR 52 Ca -0.20 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 60.90 1c9f n TYR 52 Cb 0.50 -0.30 -0.07 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.49 0.00 2.98 4.81 -1.94 -3.38 114.58 116.56 1c9f h GLU 53 Ca 0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1c9f h GLU 53 Cb 0.11 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1c9f h GLU 53 CO 0.00 -0.33 -0.32 -0.25 -0.73 0.00 0.00 179.01 177.38 1c9f n ASP 54 N -4.70 0.00 -0.13 1.04 8.00 -1.24 -4.39 116.55 115.13 1c9f n ASP 54 Ca -0.06 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1c9f n ASP 54 Cb 0.30 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.00 0.76 3.97 0.44 0.00 -1.08 -3.56 105.19 105.73 1c9f n GLY 55 Ca -0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.81 3.32 -0.04 2.61 2.01 -0.94 -4.81 115.64 115.98 1c9f s THR 56 Ca 0.00 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.37 1c9f s THR 56 Cb 0.00 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 1c9f s THR 56 CO 0.00 -0.13 -0.23 -1.61 -0.69 0.00 0.00 174.62 171.96 1c9f s GLU 57 N -4.57 2.16 0.37 4.92 0.41 -1.26 -0.33 118.70 120.39 1c9f s GLU 57 Ca 0.53 -0.82 -0.06 0.00 -0.41 0.00 0.00 54.97 54.21 1c9f s GLU 57 Cb -0.10 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.35 1c9f s GLU 57 CO 0.37 0.39 0.58 0.08 -0.49 0.00 0.00 175.26 176.19 1c9f s VAL 58 N -0.24 0.00 0.23 2.63 1.01 0.40 -4.83 120.40 119.61 1c9f s VAL 58 Ca 0.00 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 60.61 1c9f s VAL 58 Cb -0.12 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1c9f s VAL 58 CO 0.02 0.00 -0.03 0.42 0.00 0.00 0.00 175.10 175.51 1c9f s THR 59 N -2.73 1.19 -2.00 3.92 -4.23 -1.26 -1.27 115.64 109.26 1c9f s THR 59 Ca 0.26 -2.06 0.20 0.00 -1.18 0.00 0.00 61.69 58.91 1c9f s THR 59 Cb -0.02 -2.31 0.56 0.00 1.34 0.00 0.00 72.50 72.07 1c9f s THR 59 CO 0.18 -0.37 1.59 -0.90 -0.54 0.00 0.00 174.62 174.58 1c9f n ASP 60 N -0.43 0.00 -0.01 3.99 5.75 -1.26 -3.01 116.55 121.58 1c9f n ASP 60 Ca -0.06 -0.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.95 1c9f n ASP 60 Cb 0.63 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.70 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 -0.94 4.36 0.12 -1.12 2.03 -1.26 -4.71 116.55 115.04 1c9f n ASP 61 Ca 0.15 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.22 1c9f n ASP 61 Cb 0.07 0.90 -0.16 0.00 -0.72 0.00 0.00 41.12 41.22 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 -3.83 0.57 0.00 0.00 3.72 -1.17 -4.81 117.46 111.94 1c9f n PHE 63 Ca -0.16 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1c9f n PHE 63 Cb 1.03 -2.35 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 8.45 0.00 -3.08 -1.08 -0.04 -1.26 -4.70 135.00 133.29 1c9f n PRO 64 Ca 0.65 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.76 1c9f n PRO 64 Cb 0.04 -0.12 -0.02 0.00 -0.04 0.00 0.00 33.50 33.36 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 2.88 5.26 3.38 0.55 0.00 -1.26 -4.93 105.19 111.06 1c9f n GLY 65 Ca 0.00 -2.71 -0.40 0.00 0.00 0.00 0.00 46.02 42.91 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 0.78 -1.22 -4.80 0.99 4.32 -1.26 -4.91 117.00 110.90 1c9f n LEU 66 Ca 0.31 0.78 -0.32 0.00 -0.02 0.00 0.00 56.01 56.76 1c9f n LEU 66 Cb 0.35 -1.02 0.04 0.00 -1.62 0.00 0.00 43.42 41.17 1c9f n LEU 66 CO 0.55 -3.64 0.71 -2.16 -1.22 0.00 0.00 177.39 171.63 1c9f s PRO 67 N -1.47 3.01 0.43 3.23 0.04 -1.26 -4.86 135.00 134.12 1c9f s PRO 67 Ca 0.62 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 1c9f s PRO 67 Cb -0.54 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 31.88 1c9f s PRO 67 CO 0.60 -1.05 0.42 -1.71 0.04 0.00 0.00 177.00 175.30 1c9f n ASN 68 N -2.69 -1.42 -3.64 6.66 2.85 -1.26 0.10 115.26 115.84 1c9f n ASN 68 Ca 0.08 0.86 -0.26 0.00 -0.11 0.00 0.00 54.58 55.15 1c9f n ASN 68 Cb 0.53 -1.06 -0.02 0.00 1.24 0.00 0.00 39.78 40.47 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 1.47 -2.85 -4.58 1.20 8.00 0.54 -4.69 116.55 115.65 1c9f n ASP 69 Ca 0.11 -0.56 -0.62 0.00 0.71 0.00 0.00 54.79 54.44 1c9f n ASP 69 Cb 0.41 -2.40 -0.10 0.00 -0.02 0.00 0.00 41.12 39.01 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 -3.64 -0.48 -2.78 2.24 0.00 0.11 -3.91 120.51 112.06 1c9f n ALA 70 Ca 0.03 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 1c9f n ALA 70 Cb 0.51 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 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 4.21 3.34 0.30 0.00 2.56 -1.26 -0.49 118.70 127.36 1c9f s GLU 71 Ca 1.08 -1.05 0.07 0.00 0.00 0.00 0.00 54.97 55.06 1c9f s GLU 71 Cb -1.36 -4.61 -0.03 0.00 2.00 0.00 0.00 34.13 30.13 1c9f s GLU 71 CO 0.72 -1.92 0.31 -0.51 -0.56 0.00 0.00 175.26 173.29 1c9f s LEU 72 N 4.09 3.85 -0.23 2.70 1.02 -0.86 -2.27 118.68 126.98 1c9f s LEU 72 Ca 0.31 -0.27 -0.03 0.00 0.02 0.00 0.00 54.13 54.15 1c9f s LEU 72 Cb -0.09 -2.46 0.07 0.00 0.02 0.00 0.00 46.19 43.73 1c9f s LEU 72 CO 0.02 -0.23 0.08 -0.22 0.02 0.00 0.00 176.35 176.01 1c9f s LEU 73 N -3.98 1.03 0.57 1.79 0.20 -0.38 -0.79 118.68 117.12 1c9f s LEU 73 Ca 0.38 -0.99 -0.20 0.00 0.69 0.00 0.00 54.13 54.01 1c9f s LEU 73 Cb -0.08 -0.51 -0.06 0.00 -0.43 0.00 0.00 46.19 45.12 1c9f s LEU 73 CO 0.27 -0.36 1.02 -0.11 -0.29 0.00 0.00 176.35 176.88 1c9f n LEU 74 N 5.11 3.75 -3.52 -0.68 7.94 0.98 -1.94 117.00 128.63 1c9f n LEU 74 Ca -0.07 0.86 -0.13 0.00 -1.11 0.00 0.00 56.01 55.56 1c9f n LEU 74 Cb 0.46 -1.41 -0.04 0.00 0.53 0.00 0.00 43.42 42.96 1c9f n LEU 74 CO 0.10 -1.66 0.32 -0.22 -1.11 0.00 0.00 177.39 174.83 1c9f s LEU 75 N -1.97 -0.25 0.15 -1.96 0.20 0.45 -3.96 118.68 111.34 1c9f s LEU 75 Ca 0.73 0.12 -0.00 0.00 0.69 0.00 0.00 54.13 55.67 1c9f s LEU 75 Cb -0.44 2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 47.58 1c9f s LEU 75 CO 0.49 -0.81 0.05 0.42 -0.29 0.00 0.00 176.35 176.22 1c9f s THR 76 N -2.90 0.22 0.50 3.68 -4.23 -1.26 -0.17 115.64 111.49 1c9f s THR 76 Ca -0.03 -1.93 0.37 0.00 -1.18 0.00 0.00 61.69 58.92 1c9f s THR 76 Cb -0.00 -2.12 0.58 0.00 1.34 0.00 0.00 72.50 72.29 1c9f s THR 76 CO -0.05 -0.41 1.67 0.00 -0.54 0.00 0.00 174.62 175.29 1c9f h ALA 77 N 2.80 3.15 -0.45 3.99 0.00 -1.84 2.11 119.26 129.02 1c9f h ALA 77 Ca -0.36 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 1c9f h ALA 77 Cb 1.21 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 19.01 1c9f h ALA 77 CO 0.59 -1.66 0.26 0.41 0.00 0.00 0.00 179.25 178.85 1c9f n GLY 78 N -1.71 3.03 3.35 0.00 0.00 -1.26 -4.86 105.19 103.73 1c9f n GLY 78 Ca 0.35 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.70 1.00 -0.21 1.61 0.41 0.71 -5.12 118.70 115.41 1c9f s GLU 79 Ca 0.28 -0.38 -0.22 0.00 -0.41 0.00 0.00 54.97 54.24 1c9f s GLU 79 Cb 0.23 0.45 0.06 0.00 -1.78 0.00 0.00 34.13 33.09 1c9f s GLU 79 CO 0.06 -0.37 0.61 0.95 -0.49 0.00 0.00 175.26 176.03 1c9f s THR 80 N -2.75 0.00 -0.15 3.63 -4.23 -1.26 -4.31 115.64 106.58 1c9f s THR 80 Ca -0.04 -0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.44 1c9f s THR 80 Cb -0.00 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 72.95 1c9f s THR 80 CO -0.04 -0.01 -0.07 0.86 -0.54 0.00 0.00 174.62 174.82 1c9f s TRP 81 N 0.16 2.96 -0.03 3.99 -0.00 -1.26 -5.03 118.94 119.72 1c9f s TRP 81 Ca -0.01 -0.40 -0.12 0.00 -0.00 0.00 0.00 56.10 55.57 1c9f s TRP 81 Cb -0.04 -1.92 -0.06 0.00 -0.00 0.00 0.00 33.47 31.45 1c9f s TRP 81 CO 0.02 -0.09 0.55 0.45 -0.00 0.00 0.00 176.95 177.88 1c9f h HIS 82 N 6.68 -0.39 0.00 5.86 3.86 -1.99 -3.48 115.15 125.69 1c9f h HIS 82 Ca -0.29 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1c9f h HIS 82 Cb 1.20 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.80 1c9f h HIS 82 CO 0.52 -0.24 0.00 0.41 0.86 0.00 0.00 177.93 179.48 1c9f n GLY 83 N 0.56 3.56 2.19 2.45 0.00 -1.26 -4.55 105.19 108.14 1c9f n GLY 83 Ca -0.05 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 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 0.91 -3.39 1.61 9.36 -1.23 -4.71 117.16 118.14 1c9f n TYR 84 Ca 0.00 -1.73 -0.07 0.00 3.32 0.00 0.00 57.90 59.42 1c9f n TYR 84 Cb 0.00 -1.37 0.01 0.00 -0.63 0.00 0.00 39.34 37.35 1c9f n TYR 84 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1c9f n VAL 85 N 1.46 0.00 -3.03 2.97 0.31 -1.26 -4.80 118.33 113.98 1c9f n VAL 85 Ca 0.42 -0.64 -0.17 0.00 -0.01 0.00 0.00 64.34 63.93 1c9f n VAL 85 Cb 0.69 -0.54 -0.01 0.00 -0.91 0.00 0.00 33.84 33.06 1c9f n VAL 85 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1c9f n SER 86 N -2.27 -0.74 0.00 4.52 7.64 -1.26 -5.17 113.62 116.34 1c9f n SER 86 Ca 0.01 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1c9f n SER 86 Cb 0.19 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1c9f n SER 86 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50