#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 5.16 0.00 -2.86 0.00 0.00 -1.26 -5.16 120.51 116.39 1c9f n ALA 3 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 1c9f n ALA 3 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 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 4.74 0.36 0.00 1.01 -1.26 -5.13 120.40 120.12 1c9f s VAL 4 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1c9f s VAL 4 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1c9f s VAL 4 CO 0.00 -0.22 0.15 -0.76 0.00 0.00 0.00 175.10 174.27 1c9f s LEU 5 N -3.51 1.89 -1.33 3.92 1.43 -1.26 -5.03 118.68 114.78 1c9f s LEU 5 Ca 0.33 -1.63 -0.08 0.00 -1.03 0.00 0.00 54.13 51.72 1c9f s LEU 5 Cb -0.09 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.15 1c9f s LEU 5 CO 0.26 -0.91 2.77 0.54 0.23 0.00 0.00 176.35 179.24 1c9f n ARG 6 N -0.77 3.88 -0.73 1.70 5.12 -1.26 -4.90 116.66 119.70 1c9f n ARG 6 Ca -0.02 -2.63 0.07 0.00 -1.93 0.00 0.00 57.85 53.34 1c9f n ARG 6 Cb 0.65 -2.64 -0.04 0.00 -1.16 0.00 0.00 32.46 29.26 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 2.62 -1.75 -2.28 5.56 3.00 -1.26 -4.79 117.38 118.49 1c9f n GLN 7 Ca 0.68 1.42 -0.42 0.00 -0.01 0.00 0.00 57.00 58.67 1c9f n GLN 7 Cb 0.30 -1.97 -0.03 0.00 0.00 0.00 0.00 30.24 28.54 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1c9f s PRO 8 N -3.85 4.33 0.49 -1.09 0.04 -1.26 -4.83 135.00 128.83 1c9f s PRO 8 Ca 0.00 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 1c9f s PRO 8 Cb 0.00 -3.46 -0.09 0.00 0.04 0.00 0.00 34.50 30.99 1c9f s PRO 8 CO 0.00 -0.47 0.98 0.15 0.04 0.00 0.00 177.00 177.70 1c9f s LYS 9 N 1.85 4.03 -0.01 4.56 -0.14 -0.84 -4.73 119.74 124.45 1c9f s LYS 9 Ca 0.62 1.01 0.08 0.00 -1.36 0.00 0.00 55.97 56.31 1c9f s LYS 9 Cb -0.31 -2.15 -0.02 0.00 -1.68 0.00 0.00 37.83 33.67 1c9f s LYS 9 CO 0.27 -0.20 -0.24 0.00 -0.76 0.00 0.00 175.35 174.42 1c9f s VAL 11 N -0.59 0.56 -0.78 0.00 -7.23 -0.33 0.25 120.40 112.28 1c9f s VAL 11 Ca 0.09 -0.25 -0.15 0.00 -1.81 0.00 0.00 61.98 59.86 1c9f s VAL 11 Cb -0.09 -0.51 0.19 0.00 0.56 0.00 0.00 36.38 36.52 1c9f s VAL 11 CO -0.01 0.18 0.77 -0.54 -0.31 0.00 0.00 175.10 175.20 1c9f s LYS 12 N 0.16 3.47 -0.83 4.82 -0.14 -0.81 -1.06 119.74 125.36 1c9f s LYS 12 Ca -0.02 -2.17 -0.25 0.00 -1.36 0.00 0.00 55.97 52.17 1c9f s LYS 12 Cb -0.07 -4.46 -0.01 0.00 -1.68 0.00 0.00 37.83 31.61 1c9f s LYS 12 CO -0.00 -1.38 1.72 -1.17 -0.76 0.00 0.00 175.35 173.75 1c9f s LEU 13 N 0.91 3.27 0.42 3.17 2.96 -1.00 -2.37 118.68 126.04 1c9f s LEU 13 Ca 0.17 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1c9f s LEU 13 Cb -0.13 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1c9f s LEU 13 CO -0.06 -2.24 0.71 -0.60 -1.32 0.00 0.00 176.35 172.83 1c9f s ARG 14 N 6.38 3.59 -0.01 1.98 6.06 0.64 0.12 118.95 137.71 1c9f s ARG 14 Ca 0.59 0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.96 1c9f s ARG 14 Cb -0.07 -2.47 0.01 0.00 0.06 0.00 0.00 34.95 32.49 1c9f s ARG 14 CO 0.05 -0.05 -0.01 0.00 -2.50 0.00 0.00 175.30 172.79 1c9f s ALA 15 N -2.50 0.19 -0.03 6.12 0.00 -1.05 -0.35 121.76 124.14 1c9f s ALA 15 Ca 0.46 0.04 0.20 0.00 0.00 0.00 0.00 51.96 52.66 1c9f s ALA 15 Cb -0.10 -0.15 0.50 0.00 0.00 0.00 0.00 23.12 23.38 1c9f s ALA 15 CO 0.39 -0.01 1.65 -0.07 0.00 0.00 0.00 175.76 177.71 1c9f h LEU 16 N 6.59 0.00 -0.17 0.00 3.38 -1.90 -2.94 115.31 120.28 1c9f h LEU 16 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1c9f h LEU 16 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1c9f h LEU 16 CO 0.50 0.33 0.00 1.57 0.09 0.00 0.00 178.44 180.93 1c9f n HIS 17 N -3.31 0.05 -3.49 1.13 -0.00 -1.26 -4.84 115.22 103.50 1c9f n HIS 17 Ca 0.01 -0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1c9f n HIS 17 Cb 0.57 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 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 -0.46 0.17 -0.42 0.26 2.88 -1.11 -5.06 113.62 109.88 1c9f n SER 18 Ca 0.06 -0.49 0.07 0.00 -1.33 0.00 0.00 58.87 57.18 1c9f n SER 18 Cb 0.06 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.66 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 2.72 -3.00 -1.46 0.00 -1.26 -4.91 120.51 109.60 1c9f n ALA 19 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.80 1c9f n ALA 19 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.42 0.00 2.85 -1.26 -2.54 118.16 113.79 1c9f n LYS 21 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 1c9f n LYS 21 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1c9f n LYS 21 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1c9f n PHE 22 N 0.00 -0.60 -1.77 5.58 7.35 0.32 -4.86 117.46 123.48 1c9f n PHE 22 Ca 0.00 -3.39 -0.19 0.00 -0.76 0.00 0.00 57.45 53.11 1c9f n PHE 22 Cb 0.00 0.17 -0.08 0.00 0.35 0.00 0.00 39.48 39.92 1c9f n PHE 22 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1c9f s GLY 23 N -0.12 -0.57 -0.07 7.13 0.00 -1.25 -2.37 107.32 110.06 1c9f s GLY 23 Ca 0.33 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.56 1c9f s GLY 23 CO -0.19 3.99 0.06 0.54 0.00 0.00 0.00 173.10 177.50 1c9f s VAL 24 N 14.10 4.71 0.07 1.40 0.11 -0.22 -4.86 120.40 135.71 1c9f s VAL 24 Ca 0.80 -0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.76 1c9f s VAL 24 Cb -0.06 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 1c9f s VAL 24 CO 0.12 0.55 -0.21 0.00 -3.33 0.00 0.00 175.10 172.23 1c9f s ALA 25 N -1.00 2.53 -0.18 1.54 0.00 -1.26 -1.19 121.76 122.21 1c9f s ALA 25 Ca 0.16 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.56 1c9f s ALA 25 Cb -0.12 -0.62 0.08 0.00 0.00 0.00 0.00 23.12 22.46 1c9f s ALA 25 CO 0.05 0.57 0.74 0.00 0.00 0.00 0.00 175.76 177.12 1c9f s ALA 26 N -0.98 -1.80 0.06 0.00 0.00 -0.02 -4.95 121.76 114.07 1c9f s ALA 26 Ca 0.15 1.74 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 1c9f s ALA 26 Cb -0.10 -0.74 -0.16 0.00 0.00 0.00 0.00 23.12 22.12 1c9f s ALA 26 CO 0.06 -0.34 1.46 0.00 0.00 0.00 0.00 175.76 176.94 1c9f h ARG 27 N 4.09 -0.96 -6.21 0.00 2.47 -1.88 -2.25 114.38 109.65 1c9f h ARG 27 Ca -0.28 0.07 -0.53 0.00 -1.26 0.00 0.00 59.98 57.97 1c9f h ARG 27 Cb 1.15 0.22 -0.08 0.00 -1.65 0.00 0.00 29.97 29.62 1c9f h ARG 27 CO 0.19 -0.64 1.19 0.45 0.56 0.00 0.00 179.97 181.72 1c9f s SER 28 N -3.77 6.06 0.52 7.04 0.15 -1.26 -4.36 113.70 118.08 1c9f s SER 28 Ca -0.16 -0.61 0.41 0.00 0.70 0.00 0.00 55.95 56.30 1c9f s SER 28 Cb 0.02 -2.56 1.60 0.00 -1.71 0.00 0.00 66.02 63.37 1c9f s SER 28 CO 0.49 -1.89 1.64 0.00 1.20 0.00 0.00 173.24 174.68 1c9f h GLN 30 N 0.03 0.08 -0.09 0.00 1.08 -1.89 0.10 115.11 114.42 1c9f h GLN 30 Ca 0.82 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.93 1c9f h GLN 30 Cb 3.07 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 30.48 1c9f h GLN 30 CO -0.14 0.05 -0.26 0.93 -0.95 0.00 0.00 178.83 178.46 1c9f h GLU 31 N 0.08 0.34 -0.69 1.46 5.08 0.20 -1.92 114.58 119.13 1c9f h GLU 31 Ca 0.38 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1c9f h GLU 31 Cb 1.39 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.62 1c9f h GLU 31 CO -0.04 0.86 0.38 -0.07 -1.00 0.00 0.00 179.01 179.15 1c9f h LEU 32 N -0.12 0.55 0.03 1.33 3.38 -0.88 0.12 115.31 119.72 1c9f h LEU 32 Ca -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1c9f h LEU 32 Cb 0.88 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1c9f h LEU 32 CO 0.06 0.35 -0.01 -0.07 0.09 0.00 0.00 178.44 178.85 1c9f h LEU 33 N 0.69 -0.04 0.00 1.67 3.38 -1.25 0.80 115.31 120.56 1c9f h LEU 33 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1c9f h LEU 33 Cb 0.23 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1c9f h LEU 33 CO -0.20 -0.02 0.00 -1.14 0.09 0.00 0.00 178.44 177.17 1c9f n ARG 34 N -2.16 0.00 -0.15 1.13 3.00 -0.72 0.12 116.66 117.88 1c9f n ARG 34 Ca -0.01 0.83 0.28 0.00 -0.00 0.00 0.00 57.85 58.95 1c9f n ARG 34 Cb 0.02 -1.47 0.63 0.00 0.00 0.00 0.00 32.46 31.63 1c9f n ARG 34 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1c9f h LYS 35 N 0.00 0.00 -0.19 -0.14 1.57 -0.89 0.72 116.57 117.63 1c9f h LYS 35 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1c9f h LYS 35 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1c9f h LYS 35 CO 0.00 0.00 -0.09 0.78 -0.57 0.00 0.00 179.45 179.57 1c9f h GLY 36 N 0.00 0.44 2.00 3.86 0.00 0.34 0.26 103.07 109.97 1c9f h GLY 36 Ca 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1c9f h GLY 36 CO -0.00 0.35 0.00 0.00 0.00 0.00 0.00 176.54 176.89 1c9f h VAL 38 N 0.00 1.32 -0.28 0.00 2.07 -0.85 0.21 116.25 118.73 1c9f h VAL 38 Ca 0.00 -2.34 -0.12 0.00 0.82 0.00 0.00 66.70 65.06 1c9f h VAL 38 Cb 0.59 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1c9f h VAL 38 CO 0.00 0.57 -0.32 -0.09 0.02 0.00 0.00 177.57 177.75 1c9f h ARG 39 N -0.73 0.58 0.00 1.57 1.12 -0.96 -2.80 114.38 113.16 1c9f h ARG 39 Ca -0.19 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.42 1c9f h ARG 39 Cb 1.37 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.31 1c9f h ARG 39 CO -0.02 0.83 -0.75 1.19 -3.11 0.00 0.00 179.97 178.11 1c9f n PHE 40 N -4.08 0.30 -2.91 2.20 3.01 -0.76 -5.02 117.46 110.21 1c9f n PHE 40 Ca -0.01 0.09 -0.09 0.00 1.01 0.00 0.00 57.45 58.45 1c9f n PHE 40 Cb 0.46 -0.46 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 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 -1.90 -2.54 -4.04 -1.08 6.02 0.65 -4.99 117.38 109.51 1c9f n GLN 41 Ca 0.03 2.16 -0.33 0.00 -0.01 0.00 0.00 57.00 58.85 1c9f n GLN 41 Cb 0.41 -4.89 -0.15 0.00 1.02 0.00 0.00 30.24 26.63 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c9f s LEU 42 N -2.21 3.13 1.04 1.08 1.98 -0.59 -5.00 118.68 118.11 1c9f s LEU 42 Ca 0.18 -1.08 -0.15 0.00 -2.89 0.00 0.00 54.13 50.19 1c9f s LEU 42 Cb -0.04 -1.58 0.21 0.00 0.66 0.00 0.00 46.19 45.44 1c9f s LEU 42 CO 0.74 -0.14 1.14 -2.16 -1.89 0.00 0.00 176.35 174.04 1c9f s PRO 43 N 1.22 0.10 -0.16 0.98 0.04 -1.26 -4.98 135.00 130.93 1c9f s PRO 43 Ca -0.03 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.02 1c9f s PRO 43 Cb -0.18 -1.73 -0.23 0.00 0.04 0.00 0.00 34.50 32.41 1c9f s PRO 43 CO -0.06 -2.87 0.26 -0.12 0.04 0.00 0.00 177.00 174.25 1c9f n MET 44 N -4.21 0.67 -2.80 4.56 1.56 -1.26 -4.49 117.12 111.16 1c9f n MET 44 Ca 0.09 0.39 -0.40 0.00 -0.27 0.00 0.00 57.70 57.51 1c9f n MET 44 Cb 0.59 -1.71 -0.06 0.00 2.15 0.00 0.00 33.22 34.19 1c9f n MET 44 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1c9f s PRO 45 N -2.48 4.78 -1.44 2.12 0.04 -1.26 -3.51 135.00 133.25 1c9f s PRO 45 Ca -0.26 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 1c9f s PRO 45 Cb 0.07 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.41 1c9f s PRO 45 CO 0.68 0.51 0.68 0.41 0.04 0.00 0.00 177.00 179.33 1c9f n GLY 46 N 1.44 -0.51 3.20 0.56 0.00 -1.26 -4.92 105.19 103.71 1c9f n GLY 46 Ca -0.02 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.87 0.24 0.00 1.61 0.01 -1.23 -1.78 113.70 109.68 1c9f s SER 47 Ca 0.43 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1c9f s SER 47 Cb -0.21 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1c9f s SER 47 CO 0.53 -0.76 0.00 0.54 0.41 0.00 0.00 173.24 173.95 1c9f n ARG 48 N -0.11 0.00 -4.26 12.44 1.74 0.78 -4.78 116.66 122.47 1c9f n ARG 48 Ca -0.08 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.75 1c9f n ARG 48 Cb 0.63 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.99 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 3.05 -0.11 0.55 1.43 -0.25 -0.69 118.68 122.66 1c9f s LEU 49 Ca 0.00 -1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 51.76 1c9f s LEU 49 Cb 0.00 -1.33 0.06 0.00 0.03 0.00 0.00 46.19 44.94 1c9f s LEU 49 CO 0.00 -0.44 0.59 0.00 0.23 0.00 0.00 176.35 176.72 1c9f s LEU 51 N -0.67 4.17 0.45 0.00 1.02 0.53 -1.24 118.68 122.94 1c9f s LEU 51 Ca -0.07 1.87 0.25 0.00 0.02 0.00 0.00 54.13 56.20 1c9f s LEU 51 Cb -0.02 -3.54 0.64 0.00 0.02 0.00 0.00 46.19 43.29 1c9f s LEU 51 CO 0.06 -0.93 1.71 0.22 0.02 0.00 0.00 176.35 177.43 1c9f h TYR 52 N 9.25 0.00 -0.90 0.29 3.20 -1.69 -2.47 116.97 124.65 1c9f h TYR 52 Ca -0.33 0.00 0.24 0.00 3.14 0.00 0.00 58.73 61.78 1c9f h TYR 52 Cb 1.14 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.25 1c9f h TYR 52 CO 0.86 0.10 0.10 1.49 -1.64 0.00 0.00 178.16 179.07 1c9f h GLU 53 N 0.00 0.09 0.00 1.82 4.57 -1.90 -3.35 114.58 115.81 1c9f h GLU 53 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1c9f h GLU 53 Cb 0.89 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1c9f h GLU 53 CO 0.01 0.06 -0.14 -3.47 -1.18 0.00 0.00 179.01 174.29 1c9f n ASP 54 N -5.37 0.03 0.00 1.04 -0.08 -1.24 -4.41 116.55 106.52 1c9f n ASP 54 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1c9f n ASP 54 Cb 0.69 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.15 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 1.72 0.00 3.98 0.27 0.00 -0.98 -0.95 105.19 109.24 1c9f n GLY 55 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 4.08 -0.10 2.61 2.01 -0.97 -4.89 115.64 118.39 1c9f s THR 56 Ca 0.00 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1c9f s THR 56 Cb 0.00 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1c9f s THR 56 CO 0.00 -0.19 -0.21 -1.83 -0.69 0.00 0.00 174.62 171.70 1c9f s GLU 57 N -4.24 3.02 0.26 4.92 -1.05 -1.26 -0.35 118.70 120.00 1c9f s GLU 57 Ca 0.45 -0.83 -0.15 0.00 -0.15 0.00 0.00 54.97 54.29 1c9f s GLU 57 Cb -0.10 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.23 1c9f s GLU 57 CO 0.32 0.25 0.56 0.08 0.95 0.00 0.00 175.26 177.42 1c9f s VAL 58 N 0.20 0.00 0.24 1.83 1.01 0.44 -4.87 120.40 119.26 1c9f s VAL 58 Ca -0.13 -1.27 0.12 0.00 0.00 0.00 0.00 61.98 60.70 1c9f s VAL 58 Cb -0.16 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1c9f s VAL 58 CO 0.07 0.00 -0.20 0.42 0.00 0.00 0.00 175.10 175.39 1c9f s THR 59 N -3.94 2.51 0.02 3.92 -4.23 -1.26 -1.09 115.64 111.57 1c9f s THR 59 Ca 0.19 -2.22 0.29 0.00 -1.18 0.00 0.00 61.69 58.77 1c9f s THR 59 Cb -0.03 -2.27 0.30 0.00 1.34 0.00 0.00 72.50 71.84 1c9f s THR 59 CO 0.09 -0.28 1.89 -2.24 -0.54 0.00 0.00 174.62 173.53 1c9f h ASP 60 N 2.62 0.00 -0.43 3.99 2.03 -1.96 -0.66 116.42 122.01 1c9f h ASP 60 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1c9f h ASP 60 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1c9f h ASP 60 CO 0.55 0.00 0.00 -0.67 -1.03 0.00 0.00 179.24 178.09 1c9f n ASP 61 N -2.55 3.41 -0.04 4.15 2.03 -1.26 -4.40 116.55 117.88 1c9f n ASP 61 Ca -0.01 -1.96 -0.05 0.00 0.52 0.00 0.00 54.79 53.29 1c9f n ASP 61 Cb 0.10 -0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.16 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 -2.53 1.04 0.00 0.00 3.72 -1.03 -4.84 117.46 113.83 1c9f n PHE 63 Ca -0.15 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1c9f n PHE 63 Cb 0.73 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.83 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 8.32 0.00 -3.16 -1.08 -0.04 -1.26 -4.79 135.00 132.99 1c9f n PRO 64 Ca 0.54 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.76 1c9f n PRO 64 Cb 0.14 -0.28 -0.05 0.00 -0.04 0.00 0.00 33.50 33.27 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 2.29 4.42 3.17 0.55 0.00 -1.26 -4.88 105.19 109.48 1c9f n GLY 65 Ca 0.00 -2.28 -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 0.45 -3.55 -4.68 0.99 4.77 -1.26 -4.94 117.00 108.78 1c9f n LEU 66 Ca 0.27 0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 56.17 1c9f n LEU 66 Cb 0.49 -0.93 0.23 0.00 -2.33 0.00 0.00 43.42 40.88 1c9f n LEU 66 CO 0.29 -4.86 0.69 -2.16 -1.33 0.00 0.00 177.39 170.03 1c9f s PRO 67 N -2.68 -0.85 0.69 3.23 0.04 -1.26 -4.86 135.00 129.31 1c9f s PRO 67 Ca 0.47 -0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 1c9f s PRO 67 Cb -0.18 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1c9f s PRO 67 CO 0.76 -3.44 1.02 0.09 0.04 0.00 0.00 177.00 175.47 1c9f n ASN 68 N -4.54 0.79 -4.13 6.66 5.03 -1.26 -1.80 115.26 116.01 1c9f n ASN 68 Ca 0.14 0.72 -0.35 0.00 0.87 0.00 0.00 54.58 55.96 1c9f n ASN 68 Cb 0.60 -1.43 -0.04 0.00 -1.02 0.00 0.00 39.78 37.89 1c9f n ASN 68 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1c9f n ASP 69 N -1.57 -2.74 -4.37 6.41 9.92 0.69 -4.62 116.55 120.27 1c9f n ASP 69 Ca 0.14 -0.93 -0.51 0.00 -0.53 0.00 0.00 54.79 52.96 1c9f n ASP 69 Cb 0.49 -2.29 -0.13 0.00 -0.64 0.00 0.00 41.12 38.55 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 -4.05 0.33 -2.22 2.24 0.00 -0.62 -3.95 120.51 112.23 1c9f n ALA 70 Ca 0.08 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 1c9f n ALA 70 Cb 0.48 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 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 7.27 3.02 0.26 0.00 2.02 -1.26 -1.92 118.70 128.10 1c9f s GLU 71 Ca 1.25 0.55 0.10 0.00 0.02 0.00 0.00 54.97 56.88 1c9f s GLU 71 Cb -1.32 -4.24 -0.04 0.00 0.10 0.00 0.00 34.13 28.63 1c9f s GLU 71 CO 0.57 -2.27 -0.01 -0.51 0.02 0.00 0.00 175.26 173.06 1c9f s LEU 72 N 7.32 3.17 -0.02 1.80 1.02 -1.00 -2.09 118.68 128.89 1c9f s LEU 72 Ca 0.59 -0.65 -0.00 0.00 0.02 0.00 0.00 54.13 54.09 1c9f s LEU 72 Cb -0.13 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.40 1c9f s LEU 72 CO 0.23 0.01 0.02 -0.22 0.02 0.00 0.00 176.35 176.41 1c9f s LEU 73 N -3.63 1.33 0.19 1.79 2.96 -0.37 -0.26 118.68 120.69 1c9f s LEU 73 Ca 0.31 0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.96 1c9f s LEU 73 Cb -0.06 -0.04 -0.08 0.00 0.50 0.00 0.00 46.19 46.50 1c9f s LEU 73 CO 0.20 -0.09 1.21 -0.22 -1.32 0.00 0.00 176.35 176.12 1c9f s LEU 74 N 0.77 4.45 0.04 -0.68 2.96 0.53 -2.28 118.68 124.47 1c9f s LEU 74 Ca -0.06 2.26 -0.08 0.00 -0.22 0.00 0.00 54.13 56.03 1c9f s LEU 74 Cb -0.09 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 1c9f s LEU 74 CO -0.02 -0.39 0.17 -0.22 -1.32 0.00 0.00 176.35 174.57 1c9f s LEU 75 N -0.30 1.47 0.34 -0.68 0.20 0.13 -3.49 118.68 116.34 1c9f s LEU 75 Ca 0.53 -0.43 -0.01 0.00 0.69 0.00 0.00 54.13 54.91 1c9f s LEU 75 Cb -0.33 0.88 -0.00 0.00 -0.43 0.00 0.00 46.19 46.31 1c9f s LEU 75 CO 0.37 -0.56 0.43 0.42 -0.29 0.00 0.00 176.35 176.72 1c9f s THR 76 N -2.71 0.00 0.25 3.68 -4.23 -1.26 -0.15 115.64 111.22 1c9f s THR 76 Ca -0.04 -1.68 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1c9f s THR 76 Cb -0.00 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.45 1c9f s THR 76 CO -0.05 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.83 1c9f h ALA 77 N 2.13 1.19 -0.00 3.99 0.00 -1.65 0.59 119.26 125.50 1c9f h ALA 77 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1c9f h ALA 77 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1c9f h ALA 77 CO 0.39 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1c9f n GLY 78 N -1.32 -0.99 3.20 0.00 0.00 -1.26 -4.80 105.19 100.03 1c9f n GLY 78 Ca 0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 0.93 -0.25 1.61 2.12 0.21 -5.16 118.70 116.15 1c9f s GLU 79 Ca 0.10 -1.38 -0.25 0.00 0.36 0.00 0.00 54.97 53.79 1c9f s GLU 79 Cb 0.05 -0.38 0.07 0.00 0.26 0.00 0.00 34.13 34.13 1c9f s GLU 79 CO 0.08 0.02 0.72 0.99 -0.54 0.00 0.00 175.26 176.52 1c9f s THR 80 N -3.50 0.00 -0.13 -1.70 2.01 -1.26 -4.03 115.64 107.02 1c9f s THR 80 Ca 0.14 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 1c9f s THR 80 Cb 0.04 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1c9f s THR 80 CO -0.03 0.00 -0.09 0.86 -0.69 0.00 0.00 174.62 174.68 1c9f s TRP 81 N 0.27 2.91 -0.09 4.92 -0.00 -1.26 -5.03 118.94 120.65 1c9f s TRP 81 Ca -0.01 -0.41 -0.03 0.00 -0.00 0.00 0.00 56.10 55.66 1c9f s TRP 81 Cb -0.05 -1.87 -0.01 0.00 -0.00 0.00 0.00 33.47 31.55 1c9f s TRP 81 CO 0.02 -0.06 -0.05 1.25 -0.00 0.00 0.00 176.95 178.10 1c9f h HIS 82 N 6.49 0.00 0.00 5.86 -0.00 -1.96 -3.49 115.15 122.05 1c9f h HIS 82 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 1c9f h HIS 82 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 1c9f h HIS 82 CO 0.52 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.86 1c9f n GLY 83 N 1.76 3.77 3.48 5.26 0.00 -1.25 -4.59 105.19 113.62 1c9f n GLY 83 Ca -0.02 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 2.79 0.40 1.61 5.04 -0.12 -4.94 117.35 120.14 1c9f s TYR 84 Ca 0.00 -0.89 0.02 0.00 -2.44 0.00 0.00 57.07 53.75 1c9f s TYR 84 Cb 0.00 -4.39 -0.01 0.00 0.35 0.00 0.00 41.96 37.91 1c9f s TYR 84 CO 0.00 -1.67 0.60 0.14 -1.34 0.00 0.00 175.55 173.28 1c9f s VAL 85 N 3.81 4.29 -0.92 3.14 -7.23 -1.26 -4.82 120.40 117.40 1c9f s VAL 85 Ca 0.31 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1c9f s VAL 85 Cb -0.09 -3.56 0.32 0.00 0.56 0.00 0.00 36.38 33.62 1c9f s VAL 85 CO -0.01 -0.35 1.61 -1.54 -0.31 0.00 0.00 175.10 174.50 1c9f n SER 86 N -1.92 6.66 0.00 4.85 3.41 -1.26 -5.23 113.62 120.14 1c9f n SER 86 Ca -0.01 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 1c9f n SER 86 Cb 0.57 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1c9f n SER 86 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21