#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 -0.44 -1.99 -2.75 0.00 0.00 -1.26 -4.88 120.51 109.21 1c9f n ALA 3 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.03 1c9f n ALA 3 Cb 0.00 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 -4.51 0.00 -4.00 0.00 3.14 -1.26 -5.15 118.33 106.55 1c9f n VAL 4 Ca -0.31 -1.11 -0.08 0.00 -2.96 0.00 0.00 64.34 59.88 1c9f n VAL 4 Cb 0.69 1.16 -0.09 0.00 -1.06 0.00 0.00 33.84 34.53 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 0.26 2.10 -0.31 6.55 1.43 -1.26 -4.80 118.68 122.65 1c9f s LEU 5 Ca 0.30 -0.82 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1c9f s LEU 5 Cb 0.10 0.48 0.46 0.00 0.03 0.00 0.00 46.19 47.26 1c9f s LEU 5 CO -0.13 -0.61 1.15 0.54 0.23 0.00 0.00 176.35 177.53 1c9f n ARG 6 N 0.22 3.08 0.00 1.70 3.00 -1.26 -5.00 116.66 118.40 1c9f n ARG 6 Ca -0.15 -4.04 0.00 0.00 -0.01 0.00 0.00 57.85 53.65 1c9f n ARG 6 Cb 0.61 -2.08 0.00 0.00 0.00 0.00 0.00 32.46 30.98 1c9f n ARG 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1c9f n GLN 7 N -0.62 0.00 -2.32 5.56 1.13 -1.26 -5.12 117.38 114.75 1c9f n GLN 7 Ca 0.34 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.98 1c9f n GLN 7 Cb 0.88 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 31.20 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 4.31 0.17 -1.09 0.04 -1.26 -4.76 135.00 132.41 1c9f s PRO 8 Ca 0.00 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1c9f s PRO 8 Cb 0.00 -3.57 -0.07 0.00 0.04 0.00 0.00 34.50 30.90 1c9f s PRO 8 CO 0.00 -0.53 0.95 0.15 0.04 0.00 0.00 177.00 177.62 1c9f s LYS 9 N 2.33 4.77 0.22 4.56 -0.14 -1.13 -4.72 119.74 125.64 1c9f s LYS 9 Ca 0.61 1.47 0.07 0.00 -1.36 0.00 0.00 55.97 56.76 1c9f s LYS 9 Cb -0.29 -3.33 -0.04 0.00 -1.68 0.00 0.00 37.83 32.49 1c9f s LYS 9 CO 0.25 0.36 0.11 0.00 -0.76 0.00 0.00 175.35 175.30 1c9f s VAL 11 N -2.01 -0.00 -0.46 0.00 -7.23 0.58 0.18 120.40 111.46 1c9f s VAL 11 Ca 0.31 0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.32 1c9f s VAL 11 Cb -0.08 -0.63 0.04 0.00 0.56 0.00 0.00 36.38 36.27 1c9f s VAL 11 CO 0.22 0.01 0.50 -0.54 -0.31 0.00 0.00 175.10 174.98 1c9f s LYS 12 N 0.49 3.09 -1.17 4.82 -0.14 0.32 -1.31 119.74 125.84 1c9f s LYS 12 Ca -0.02 -0.89 -0.18 0.00 -1.36 0.00 0.00 55.97 53.52 1c9f s LYS 12 Cb -0.04 -4.04 0.11 0.00 -1.68 0.00 0.00 37.83 32.18 1c9f s LYS 12 CO -0.02 -1.01 1.50 -1.17 -0.76 0.00 0.00 175.35 173.89 1c9f s LEU 13 N 2.23 4.35 0.56 3.17 2.96 -0.20 -1.38 118.68 130.38 1c9f s LEU 13 Ca 0.12 -2.40 -0.14 0.00 -0.22 0.00 0.00 54.13 51.49 1c9f s LEU 13 Cb -0.19 -2.49 -0.06 0.00 0.50 0.00 0.00 46.19 43.95 1c9f s LEU 13 CO 0.12 -1.07 1.00 -0.60 -1.32 0.00 0.00 176.35 174.48 1c9f s ARG 14 N 3.27 3.77 -0.06 1.98 6.06 0.44 -0.56 118.95 133.84 1c9f s ARG 14 Ca 0.46 0.83 -0.03 0.00 -2.50 0.00 0.00 55.73 54.49 1c9f s ARG 14 Cb -0.00 -2.12 0.04 0.00 0.06 0.00 0.00 34.95 32.93 1c9f s ARG 14 CO -0.00 -0.41 0.12 0.00 -2.50 0.00 0.00 175.30 172.51 1c9f s ALA 15 N -2.89 -0.06 -0.12 6.12 0.00 -1.02 -0.30 121.76 123.49 1c9f s ALA 15 Ca 0.57 0.47 0.28 0.00 0.00 0.00 0.00 51.96 53.28 1c9f s ALA 15 Cb -0.10 -0.64 0.89 0.00 0.00 0.00 0.00 23.12 23.27 1c9f s ALA 15 CO 0.42 -0.42 1.81 -0.07 0.00 0.00 0.00 175.76 177.50 1c9f h LEU 16 N 8.05 0.00 0.00 0.00 3.38 -1.87 -2.73 115.31 122.15 1c9f h LEU 16 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 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 0.23 0.03 0.00 1.57 0.09 0.00 0.00 178.44 180.37 1c9f n HIS 17 N -3.12 0.00 -3.08 1.13 -0.00 -1.26 -4.83 115.22 104.06 1c9f n HIS 17 Ca 0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1c9f n HIS 17 Cb 0.42 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.21 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 -1.07 1.16 -1.99 0.26 2.88 -1.03 -5.07 113.62 108.75 1c9f n SER 18 Ca 0.21 -0.08 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 1c9f n SER 18 Cb 0.14 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.64 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 4.46 0.00 -1.46 0.00 -1.26 -4.95 120.51 114.30 1c9f n ALA 19 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.88 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 -2.43 118.16 113.90 1c9f n LYS 21 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 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 0.12 -0.05 0.00 0.00 177.40 177.47 1c9f s PHE 22 N -1.42 -0.23 -0.61 5.58 5.36 0.27 -4.88 117.98 122.05 1c9f s PHE 22 Ca 0.00 -0.48 -0.27 0.00 -0.96 0.00 0.00 56.93 55.23 1c9f s PHE 22 Cb 0.00 -0.56 -0.01 0.00 -0.34 0.00 0.00 43.02 42.11 1c9f s PHE 22 CO 0.00 -0.91 1.71 0.20 -1.46 0.00 0.00 175.22 174.76 1c9f s GLY 23 N 2.11 0.44 0.10 13.12 0.00 -1.26 -1.03 107.32 120.79 1c9f s GLY 23 Ca 0.11 -0.72 0.09 0.00 0.00 0.00 0.00 44.72 44.20 1c9f s GLY 23 CO -0.28 3.21 -0.18 0.54 0.00 0.00 0.00 173.10 176.39 1c9f s VAL 24 N 8.01 2.83 0.10 1.40 0.11 -0.43 -4.96 120.40 127.47 1c9f s VAL 24 Ca 0.61 -1.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.24 1c9f s VAL 24 Cb -0.12 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.41 1c9f s VAL 24 CO 0.21 0.14 -0.07 0.00 -3.33 0.00 0.00 175.10 172.05 1c9f s ALA 25 N -1.10 1.05 0.00 1.54 0.00 -1.26 -0.31 121.76 121.68 1c9f s ALA 25 Ca 0.17 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1c9f s ALA 25 Cb -0.11 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1c9f s ALA 25 CO 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 175.76 175.66 1c9f n ALA 26 N 0.03 0.00 -0.17 0.00 0.00 -0.26 -4.84 120.51 115.28 1c9f n ALA 26 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1c9f n ALA 26 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1c9f n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f h ARG 27 N 0.00 -0.25 -6.03 0.00 2.47 -1.86 -2.99 114.38 105.73 1c9f h ARG 27 Ca 0.00 0.02 -0.58 0.00 -1.26 0.00 0.00 59.98 58.16 1c9f h ARG 27 Cb 0.00 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.27 1c9f h ARG 27 CO 0.00 -0.17 0.99 -1.12 0.56 0.00 0.00 179.97 180.23 1c9f s SER 28 N -5.11 6.24 0.58 7.04 0.01 -1.26 -4.26 113.70 116.94 1c9f s SER 28 Ca -0.14 -0.82 0.38 0.00 1.31 0.00 0.00 55.95 56.68 1c9f s SER 28 Cb 0.13 -2.52 1.33 0.00 0.21 0.00 0.00 66.02 65.17 1c9f s SER 28 CO 0.66 -1.65 1.44 0.00 0.41 0.00 0.00 173.24 174.10 1c9f h GLN 30 N 0.00 0.00 -0.33 0.00 7.50 -1.88 -2.40 115.11 118.01 1c9f h GLN 30 Ca 0.71 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.80 1c9f h GLN 30 Cb 3.33 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 30.85 1c9f h GLN 30 CO -0.01 0.10 -0.01 1.49 -1.50 0.00 0.00 178.83 178.90 1c9f h GLU 31 N 0.00 0.58 -0.31 1.46 4.81 0.20 -1.90 114.58 119.42 1c9f h GLU 31 Ca -0.00 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1c9f h GLU 31 Cb 0.19 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1c9f h GLU 31 CO 0.01 0.72 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.73 1c9f h LEU 32 N 0.38 0.59 0.70 1.64 3.38 -1.55 -1.70 115.31 118.75 1c9f h LEU 32 Ca 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1c9f h LEU 32 Cb 0.46 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1c9f h LEU 32 CO 0.02 0.81 -0.33 -0.07 0.09 0.00 0.00 178.44 178.95 1c9f h LEU 33 N 0.53 -0.79 0.05 1.67 3.38 -1.28 0.17 115.31 119.02 1c9f h LEU 33 Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1c9f h LEU 33 Cb 0.66 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1c9f h LEU 33 CO 0.05 -0.45 -0.04 -0.09 0.09 0.00 0.00 178.44 178.00 1c9f h ARG 34 N -1.18 -0.08 -1.34 1.13 9.65 -1.38 -0.72 114.38 120.47 1c9f h ARG 34 Ca -0.10 0.01 0.39 0.00 -1.10 0.00 0.00 59.98 59.18 1c9f h ARG 34 Cb 0.72 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.26 1c9f h ARG 34 CO 0.16 -0.06 0.99 0.87 2.80 0.00 0.00 179.97 184.73 1c9f h LYS 35 N -0.09 0.00 0.23 0.20 1.57 -1.43 0.32 116.57 117.38 1c9f h LYS 35 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1c9f h LYS 35 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1c9f h LYS 35 CO -0.00 0.00 -0.11 0.78 -0.57 0.00 0.00 179.45 179.54 1c9f h GLY 36 N 0.00 -0.33 2.00 3.86 0.00 0.80 0.94 103.07 110.34 1c9f h GLY 36 Ca 0.64 0.12 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1c9f h GLY 36 CO -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.41 1c9f h VAL 38 N 0.00 1.22 -0.55 0.00 2.07 -0.55 0.19 116.25 118.63 1c9f h VAL 38 Ca 0.00 -1.98 -0.11 0.00 0.82 0.00 0.00 66.70 65.43 1c9f h VAL 38 Cb 0.29 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1c9f h VAL 38 CO 0.00 0.41 -0.09 -0.09 0.02 0.00 0.00 177.57 177.83 1c9f h ARG 39 N -1.00 1.03 0.00 1.57 9.65 -0.76 -2.76 114.38 122.10 1c9f h ARG 39 Ca -0.05 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1c9f h ARG 39 Cb 0.80 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1c9f h ARG 39 CO -0.03 1.06 -0.32 0.74 2.80 0.00 0.00 179.97 184.22 1c9f h PHE 40 N 0.92 0.00 -5.26 2.20 -1.00 -1.32 -3.49 116.94 108.99 1c9f h PHE 40 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1c9f h PHE 40 Cb 0.65 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.21 1c9f h PHE 40 CO 0.04 0.00 -0.38 1.04 -1.61 0.00 0.00 178.31 177.40 1c9f n GLN 41 N -2.90 -2.11 -3.97 1.51 1.13 0.60 -4.99 117.38 106.66 1c9f n GLN 41 Ca 0.03 1.96 -0.31 0.00 -1.94 0.00 0.00 57.00 56.74 1c9f n GLN 41 Cb 0.53 -5.64 -0.15 0.00 0.11 0.00 0.00 30.24 25.09 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 -2.90 4.39 0.00 1.08 1.98 -0.73 -5.01 118.68 117.49 1c9f s LEU 42 Ca 0.19 -2.32 0.00 0.00 -2.89 0.00 0.00 54.13 49.11 1c9f s LEU 42 Cb -0.05 -1.55 0.00 0.00 0.66 0.00 0.00 46.19 45.25 1c9f s LEU 42 CO 0.75 -0.35 0.00 -0.81 -1.89 0.00 0.00 176.35 174.06 1c9f n PRO 43 N 4.03 0.60 -2.36 0.98 -0.04 -1.26 -4.97 135.00 131.99 1c9f n PRO 43 Ca 0.04 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 1c9f n PRO 43 Cb 0.40 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.87 1c9f n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c9f n MET 44 N -0.33 3.13 0.00 0.54 0.00 -1.26 -4.67 117.12 114.53 1c9f n MET 44 Ca 0.00 -4.18 0.13 0.00 0.00 0.00 0.00 57.70 53.65 1c9f n MET 44 Cb 0.00 -2.11 0.74 0.00 0.00 0.00 0.00 33.22 31.85 1c9f n MET 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1c9f n PRO 45 N -0.53 0.70 0.00 3.17 -0.04 -1.26 -4.72 135.00 132.32 1c9f n PRO 45 Ca 0.35 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1c9f n PRO 45 Cb 0.80 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.67 0.01 0.00 0.55 0.00 -1.26 -4.98 105.19 100.18 1c9f n GLY 46 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1c9f n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c9f n SER 47 N 0.00 -0.33 0.00 1.61 3.41 -1.26 -4.06 113.62 112.99 1c9f n SER 47 Ca 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1c9f n SER 47 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1c9f n SER 47 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1c9f n ARG 48 N -0.36 0.00 -4.08 4.33 0.63 0.82 -4.73 116.66 113.26 1c9f n ARG 48 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 1c9f n ARG 48 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 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 3.24 -0.24 6.15 1.43 -0.47 -1.12 118.68 127.67 1c9f s LEU 49 Ca 0.00 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.12 1c9f s LEU 49 Cb 0.00 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.58 1c9f s LEU 49 CO 0.00 -0.34 0.60 0.00 0.23 0.00 0.00 176.35 176.84 1c9f s LEU 51 N 1.10 4.37 0.00 0.00 1.02 0.67 -1.28 118.68 124.56 1c9f s LEU 51 Ca -0.06 2.61 0.22 0.00 0.02 0.00 0.00 54.13 56.91 1c9f s LEU 51 Cb -0.05 -3.57 1.31 0.00 0.02 0.00 0.00 46.19 43.89 1c9f s LEU 51 CO -0.11 -0.91 1.76 0.00 0.02 0.00 0.00 176.35 177.11 1c9f n TYR 52 N 5.18 0.00 0.02 0.29 9.36 -0.78 -2.22 117.16 129.01 1c9f n TYR 52 Ca 0.16 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.25 1c9f n TYR 52 Cb 0.39 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.01 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 -0.06 -0.73 2.98 4.81 -1.82 -3.41 114.58 116.34 1c9f h GLU 53 Ca 0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1c9f h GLU 53 Cb 0.00 0.01 -0.27 0.00 0.63 0.00 0.00 28.75 29.12 1c9f h GLU 53 CO 0.00 0.34 -0.79 -3.47 -0.73 0.00 0.00 179.01 174.36 1c9f n ASP 54 N -4.92 -0.50 -3.97 1.04 -0.08 -1.24 -4.71 116.55 102.17 1c9f n ASP 54 Ca -0.08 -2.96 -0.31 0.00 -1.51 0.00 0.00 54.79 49.93 1c9f n ASP 54 Cb 0.23 0.45 0.02 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 -0.02 -0.47 3.91 0.27 0.00 -0.77 -4.88 105.19 103.23 1c9f n GLY 55 Ca 0.09 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1c9f n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c9f s THR 56 N -3.33 4.93 -0.06 2.61 -4.23 -0.94 -4.90 115.64 109.72 1c9f s THR 56 Ca 0.63 0.16 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 1c9f s THR 56 Cb -0.32 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.66 1c9f s THR 56 CO 0.85 -0.74 -0.20 -1.61 -0.54 0.00 0.00 174.62 172.38 1c9f s GLU 57 N -4.50 2.58 0.33 3.99 8.01 -1.26 -0.24 118.70 127.61 1c9f s GLU 57 Ca 0.47 -0.81 -0.14 0.00 0.01 0.00 0.00 54.97 54.49 1c9f s GLU 57 Cb -0.10 -2.28 0.03 0.00 -4.31 0.00 0.00 34.13 27.47 1c9f s GLU 57 CO 0.41 0.46 0.68 0.08 0.01 0.00 0.00 175.26 176.90 1c9f s VAL 58 N -0.34 0.00 0.16 2.63 1.01 0.34 -4.79 120.40 119.42 1c9f s VAL 58 Ca 0.02 -1.16 0.05 0.00 0.00 0.00 0.00 61.98 60.89 1c9f s VAL 58 Cb -0.12 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1c9f s VAL 58 CO 0.02 0.00 -0.10 0.42 0.00 0.00 0.00 175.10 175.44 1c9f s THR 59 N -3.06 1.24 0.46 3.92 -4.23 -1.26 -1.37 115.64 111.34 1c9f s THR 59 Ca 0.18 -2.08 0.14 0.00 -1.18 0.00 0.00 61.69 58.74 1c9f s THR 59 Cb -0.04 -1.91 0.21 0.00 1.34 0.00 0.00 72.50 72.10 1c9f s THR 59 CO 0.12 -0.70 2.03 -2.24 -0.54 0.00 0.00 174.62 173.28 1c9f h ASP 60 N 2.73 0.06 -0.52 3.99 2.03 -1.96 -1.44 116.42 121.30 1c9f h ASP 60 Ca -0.37 -0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 55.83 1c9f h ASP 60 Cb 1.20 -0.02 -0.06 0.00 -0.83 0.00 0.00 39.33 39.62 1c9f h ASP 60 CO 0.63 0.17 0.12 0.47 -1.03 0.00 0.00 179.24 179.61 1c9f n ASP 61 N -4.38 4.42 0.00 4.15 8.00 -1.26 -4.21 116.55 123.27 1c9f n ASP 61 Ca -0.02 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.63 1c9f n ASP 61 Cb 0.20 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.59 0.99 0.00 0.00 3.72 -0.80 -4.84 117.46 114.94 1c9f n PHE 63 Ca 0.00 0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 1c9f n PHE 63 Cb 0.23 -2.41 0.00 0.00 -0.94 0.00 0.00 39.48 36.36 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 8.25 0.00 -3.17 -1.08 -0.04 -1.26 -4.78 135.00 132.92 1c9f n PRO 64 Ca 0.56 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.77 1c9f n PRO 64 Cb 0.11 -0.17 -0.05 0.00 -0.04 0.00 0.00 33.50 33.34 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 1.97 4.45 3.11 0.55 0.00 -1.26 -4.78 105.19 109.24 1c9f n GLY 65 Ca 0.00 -2.32 -0.36 0.00 0.00 0.00 0.00 46.02 43.35 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 0.47 -3.89 -4.77 0.99 4.77 -1.26 -4.91 117.00 108.39 1c9f n LEU 66 Ca 0.28 0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.11 1c9f n LEU 66 Cb 0.48 -0.82 0.11 0.00 -2.33 0.00 0.00 43.42 40.86 1c9f n LEU 66 CO 0.30 -4.59 0.69 -2.16 -1.33 0.00 0.00 177.39 170.31 1c9f s PRO 67 N -2.48 1.78 0.61 3.23 0.04 -1.26 -4.83 135.00 132.09 1c9f s PRO 67 Ca 0.44 0.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 1c9f s PRO 67 Cb -0.12 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1c9f s PRO 67 CO 0.75 -1.86 0.11 0.27 0.04 0.00 0.00 177.00 176.30 1c9f n ASN 68 N -3.61 -2.73 -3.87 6.66 0.23 -1.26 -0.48 115.26 110.19 1c9f n ASN 68 Ca 0.07 0.62 -0.30 0.00 -0.53 0.00 0.00 54.58 54.44 1c9f n ASN 68 Cb 0.56 -1.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.23 1c9f n ASN 68 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1c9f n ASP 69 N 1.55 -2.96 -4.32 0.53 9.92 0.49 -4.64 116.55 117.12 1c9f n ASP 69 Ca 0.08 -0.73 -0.55 0.00 -0.53 0.00 0.00 54.79 53.06 1c9f n ASP 69 Cb 0.49 -2.47 -0.12 0.00 -0.64 0.00 0.00 41.12 38.37 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 -3.88 0.28 -2.68 2.24 0.00 0.36 -3.71 120.51 113.13 1c9f n ALA 70 Ca 0.05 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 1c9f n ALA 70 Cb 0.50 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 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 6.73 3.25 0.23 0.00 2.12 -1.26 -0.52 118.70 129.25 1c9f s GLU 71 Ca 1.23 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 55.96 1c9f s GLU 71 Cb -1.40 -4.41 -0.04 0.00 0.26 0.00 0.00 34.13 28.54 1c9f s GLU 71 CO 0.61 -2.03 0.21 -0.51 -0.54 0.00 0.00 175.26 173.00 1c9f s LEU 72 N 4.88 3.88 -0.18 2.70 1.02 -0.48 -1.87 118.68 128.63 1c9f s LEU 72 Ca 0.32 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 54.28 1c9f s LEU 72 Cb -0.09 -2.42 0.05 0.00 0.02 0.00 0.00 46.19 43.74 1c9f s LEU 72 CO 0.08 -0.02 -0.04 -0.22 0.02 0.00 0.00 176.35 176.17 1c9f s LEU 73 N -3.73 1.70 0.20 1.79 2.96 -0.41 -0.42 118.68 120.77 1c9f s LEU 73 Ca 0.33 -0.78 -0.30 0.00 -0.22 0.00 0.00 54.13 53.15 1c9f s LEU 73 Cb -0.08 -0.90 -0.09 0.00 0.50 0.00 0.00 46.19 45.62 1c9f s LEU 73 CO 0.25 -0.22 1.38 -0.22 -1.32 0.00 0.00 176.35 176.23 1c9f s LEU 74 N 1.63 4.40 0.06 -0.68 2.96 0.59 -2.00 118.68 125.65 1c9f s LEU 74 Ca -0.01 2.48 -0.08 0.00 -0.22 0.00 0.00 54.13 56.30 1c9f s LEU 74 Cb -0.16 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 1c9f s LEU 74 CO -0.07 -0.62 0.16 -0.22 -1.32 0.00 0.00 176.35 174.28 1c9f s LEU 75 N 0.12 1.53 0.00 -0.68 0.20 -0.28 -3.55 118.68 116.02 1c9f s LEU 75 Ca 0.60 -0.57 0.03 0.00 0.69 0.00 0.00 54.13 54.87 1c9f s LEU 75 Cb -0.39 0.90 -0.01 0.00 -0.43 0.00 0.00 46.19 46.26 1c9f s LEU 75 CO 0.38 -0.64 0.09 0.35 -0.29 0.00 0.00 176.35 176.24 1c9f n THR 76 N 0.29 0.00 0.26 3.68 -2.24 -1.26 -0.12 114.28 114.89 1c9f n THR 76 Ca -0.17 -1.24 0.07 0.00 -2.27 0.00 0.00 64.05 60.44 1c9f n THR 76 Cb 0.61 0.48 0.33 0.00 -2.10 0.00 0.00 70.33 69.65 1c9f n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c9f n ALA 77 N -1.95 1.34 -1.12 6.98 0.00 -1.26 -1.44 120.51 123.06 1c9f n ALA 77 Ca -0.08 0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 1c9f n ALA 77 Cb 0.32 -1.22 0.27 0.00 0.00 0.00 0.00 19.45 18.82 1c9f n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c9f n GLY 78 N -0.70 3.98 3.48 0.00 0.00 -1.26 -4.96 105.19 105.73 1c9f n GLY 78 Ca 0.01 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.05 1.32 -0.23 1.61 2.02 -0.52 -5.09 118.70 114.76 1c9f s GLU 79 Ca 0.53 -0.76 -0.20 0.00 0.02 0.00 0.00 54.97 54.55 1c9f s GLU 79 Cb 0.43 0.53 0.06 0.00 0.10 0.00 0.00 34.13 35.25 1c9f s GLU 79 CO 0.11 -0.56 0.60 0.95 0.02 0.00 0.00 175.26 176.37 1c9f s THR 80 N -3.84 -0.00 -0.12 3.63 -4.23 -1.26 -4.50 115.64 105.31 1c9f s THR 80 Ca 0.06 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.53 1c9f s THR 80 Cb -0.01 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 1c9f s THR 80 CO -0.06 0.00 0.06 0.86 -0.54 0.00 0.00 174.62 174.94 1c9f s TRP 81 N 0.44 3.32 0.00 3.99 -0.00 -1.26 -5.05 118.94 120.37 1c9f s TRP 81 Ca -0.01 0.25 0.00 0.00 -0.00 0.00 0.00 56.10 56.35 1c9f s TRP 81 Cb -0.04 -1.92 0.00 0.00 -0.00 0.00 0.00 33.47 31.51 1c9f s TRP 81 CO -0.01 0.46 0.28 0.72 -0.00 0.00 0.00 176.95 178.39 1c9f n HIS 82 N 2.50 0.00 0.00 5.86 8.25 -1.26 -4.99 115.22 125.58 1c9f n HIS 82 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1c9f n HIS 82 Cb 0.54 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 0.89 -1.38 0.00 -1.41 0.00 -1.26 -4.61 105.19 97.42 1c9f n GLY 83 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.41 0.00 -2.58 1.61 9.36 -1.26 -1.85 117.16 122.04 1c9f n TYR 84 Ca 0.00 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.00 1c9f n TYR 84 Cb 0.00 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 38.83 1c9f n TYR 84 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1c9f n VAL 85 N 0.00 0.00 -1.83 2.97 0.24 -1.26 -4.96 118.33 113.49 1c9f n VAL 85 Ca 0.00 -1.49 -0.40 0.00 -2.04 0.00 0.00 64.34 60.41 1c9f n VAL 85 Cb 0.00 -0.93 -0.01 0.00 -1.47 0.00 0.00 33.84 31.43 1c9f n VAL 85 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1c9f n SER 86 N -2.93 7.60 -0.96 -1.34 7.64 -1.26 -5.21 113.62 117.16 1c9f n SER 86 Ca 0.16 -2.96 0.12 0.00 1.01 0.00 0.00 58.87 57.20 1c9f n SER 86 Cb 0.56 -1.45 0.10 0.00 -1.01 0.00 0.00 64.21 62.41 1c9f n SER 86 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13