#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 -0.50 1.72 -1.95 0.00 0.00 -1.26 -5.12 120.51 113.40 1c9f n ALA 3 Ca 0.00 -2.69 -0.32 0.00 0.00 0.00 0.00 53.44 50.43 1c9f n ALA 3 Cb 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 1c9f n ALA 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1c9f s VAL 4 N -1.76 4.55 -0.26 0.00 -7.23 -1.26 -4.98 120.40 109.45 1c9f s VAL 4 Ca 0.31 1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 61.37 1c9f s VAL 4 Cb 0.37 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.65 1c9f s VAL 4 CO -0.04 -0.39 1.54 -0.76 -0.31 0.00 0.00 175.10 175.14 1c9f s LEU 5 N -3.40 3.83 -0.47 1.32 1.43 -1.26 -4.87 118.68 115.26 1c9f s LEU 5 Ca 0.58 1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 55.10 1c9f s LEU 5 Cb -0.10 -3.53 0.31 0.00 0.03 0.00 0.00 46.19 42.90 1c9f s LEU 5 CO 0.20 -1.27 2.05 0.54 0.23 0.00 0.00 176.35 178.10 1c9f n ARG 6 N 7.68 2.20 0.00 1.70 1.74 -1.26 -4.83 116.66 123.88 1c9f n ARG 6 Ca 0.18 -2.33 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 1c9f n ARG 6 Cb 0.46 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1c9f n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c9f n GLN 7 N -0.18 0.00 -2.45 5.56 10.64 -1.26 -5.14 117.38 124.56 1c9f n GLN 7 Ca 0.44 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 55.20 1c9f n GLN 7 Cb 0.61 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.95 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1c9f s PRO 8 N -0.27 4.51 0.69 2.61 0.04 -1.26 -4.83 135.00 136.49 1c9f s PRO 8 Ca 0.00 1.77 -0.09 0.00 0.04 0.00 0.00 61.00 62.72 1c9f s PRO 8 Cb 0.00 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.28 1c9f s PRO 8 CO 0.00 -0.09 1.05 0.15 0.04 0.00 0.00 177.00 178.15 1c9f s LYS 9 N 0.18 2.63 0.04 4.56 -0.14 -0.99 -4.78 119.74 121.24 1c9f s LYS 9 Ca 0.54 0.17 -0.00 0.00 -1.36 0.00 0.00 55.97 55.32 1c9f s LYS 9 Cb -0.30 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 1c9f s LYS 9 CO 0.33 -1.07 -0.04 0.00 -0.76 0.00 0.00 175.35 173.82 1c9f s VAL 11 N -2.73 -0.02 -1.06 0.00 -7.23 -0.06 0.63 120.40 109.92 1c9f s VAL 11 Ca -0.03 0.09 -0.16 0.00 -1.81 0.00 0.00 61.98 60.07 1c9f s VAL 11 Cb -0.01 -0.55 0.15 0.00 0.56 0.00 0.00 36.38 36.53 1c9f s VAL 11 CO -0.05 0.04 1.28 -0.54 -0.31 0.00 0.00 175.10 175.52 1c9f s LYS 12 N 1.17 3.83 -0.98 4.82 -0.14 -0.61 -1.53 119.74 126.30 1c9f s LYS 12 Ca -0.08 -2.13 -0.25 0.00 -1.36 0.00 0.00 55.97 52.15 1c9f s LYS 12 Cb -0.08 -5.00 -0.12 0.00 -1.68 0.00 0.00 37.83 30.95 1c9f s LYS 12 CO -0.10 -1.78 2.10 -1.17 -0.76 0.00 0.00 175.35 173.64 1c9f s LEU 13 N 2.23 2.88 0.44 3.17 2.96 -0.89 -1.82 118.68 127.65 1c9f s LEU 13 Ca 0.38 -0.80 -0.16 0.00 -0.22 0.00 0.00 54.13 53.33 1c9f s LEU 13 Cb -0.04 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 44.00 1c9f s LEU 13 CO -0.05 -3.58 0.88 -0.60 -1.32 0.00 0.00 176.35 171.69 1c9f s ARG 14 N 7.68 3.96 -0.03 1.98 6.06 0.14 -0.55 118.95 138.20 1c9f s ARG 14 Ca 0.78 0.81 0.01 0.00 -2.50 0.00 0.00 55.73 54.83 1c9f s ARG 14 Cb -0.06 -2.26 0.02 0.00 0.06 0.00 0.00 34.95 32.71 1c9f s ARG 14 CO 0.09 -0.10 -0.03 0.00 -2.50 0.00 0.00 175.30 172.76 1c9f s ALA 15 N -2.38 0.48 -0.62 6.12 0.00 -1.06 -0.90 121.76 123.40 1c9f s ALA 15 Ca 0.57 -0.03 0.25 0.00 0.00 0.00 0.00 51.96 52.75 1c9f s ALA 15 Cb -0.10 -0.29 0.61 0.00 0.00 0.00 0.00 23.12 23.34 1c9f s ALA 15 CO 0.26 0.01 1.67 -0.07 0.00 0.00 0.00 175.76 177.63 1c9f h LEU 16 N 6.83 0.00 -0.21 0.00 3.38 -1.86 -3.11 115.31 120.34 1c9f h LEU 16 Ca -0.37 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1c9f h LEU 16 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1c9f h LEU 16 CO 0.49 0.01 -0.01 0.00 0.09 0.00 0.00 178.44 179.01 1c9f n HIS 17 N -2.53 0.00 -3.24 1.13 1.44 -1.26 -4.86 115.22 105.90 1c9f n HIS 17 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1c9f n HIS 17 Cb 0.47 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.54 1c9f n HIS 17 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1c9f n SER 18 N -0.79 1.00 -1.32 4.39 7.64 -1.17 -5.07 113.62 118.30 1c9f n SER 18 Ca 0.21 -0.24 -0.08 0.00 1.01 0.00 0.00 58.87 59.78 1c9f n SER 18 Cb 0.18 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.50 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 4.25 -3.00 -0.43 0.00 -1.26 -4.95 120.51 112.12 1c9f n ALA 19 Ca 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 49.94 1c9f n ALA 19 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.34 -3.20 0.00 2.85 -1.26 -2.57 118.16 114.32 1c9f n LYS 21 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1c9f n LYS 21 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 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 -0.83 -0.33 -0.77 5.58 5.36 0.28 -4.89 117.98 122.39 1c9f s PHE 22 Ca 0.00 -1.13 -0.25 0.00 -0.96 0.00 0.00 56.93 54.58 1c9f s PHE 22 Cb 0.00 -0.32 -0.06 0.00 -0.34 0.00 0.00 43.02 42.30 1c9f s PHE 22 CO 0.00 -1.02 2.05 0.20 -1.46 0.00 0.00 175.22 174.98 1c9f s GLY 23 N 0.90 -0.04 0.11 13.12 0.00 -1.26 -2.10 107.32 118.05 1c9f s GLY 23 Ca 0.25 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.99 1c9f s GLY 23 CO -0.08 3.66 0.04 0.54 0.00 0.00 0.00 173.10 177.26 1c9f s VAL 24 N 10.82 4.20 0.14 1.40 0.11 -0.58 -4.90 120.40 131.60 1c9f s VAL 24 Ca 0.76 -0.99 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 1c9f s VAL 24 Cb -0.10 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 1c9f s VAL 24 CO 0.09 0.06 -0.19 0.00 -3.33 0.00 0.00 175.10 171.73 1c9f s ALA 25 N -1.44 1.89 -0.29 1.54 0.00 -1.26 -0.88 121.76 121.33 1c9f s ALA 25 Ca 0.28 -1.38 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 1c9f s ALA 25 Cb -0.11 -0.20 0.13 0.00 0.00 0.00 0.00 23.12 22.93 1c9f s ALA 25 CO 0.20 0.28 0.93 0.00 0.00 0.00 0.00 175.76 177.17 1c9f s ALA 26 N -1.69 -2.11 0.09 0.00 0.00 0.16 -4.95 121.76 113.26 1c9f s ALA 26 Ca 0.11 2.15 -0.26 0.00 0.00 0.00 0.00 51.96 53.97 1c9f s ALA 26 Cb -0.07 -1.57 -0.10 0.00 0.00 0.00 0.00 23.12 21.37 1c9f s ALA 26 CO 0.05 -0.32 1.43 0.00 0.00 0.00 0.00 175.76 176.92 1c9f h ARG 27 N 5.70 -0.43 -6.12 0.00 2.47 -1.88 -2.62 114.38 111.50 1c9f h ARG 27 Ca -0.28 0.03 -0.51 0.00 -1.26 0.00 0.00 59.98 57.95 1c9f h ARG 27 Cb 1.19 0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 29.54 1c9f h ARG 27 CO 0.16 -0.29 1.18 0.45 0.56 0.00 0.00 179.97 182.04 1c9f s SER 28 N -4.34 5.87 0.49 7.04 0.15 -1.26 -4.16 113.70 117.49 1c9f s SER 28 Ca -0.12 -0.50 0.38 0.00 0.70 0.00 0.00 55.95 56.41 1c9f s SER 28 Cb 0.06 -2.55 1.55 0.00 -1.71 0.00 0.00 66.02 63.36 1c9f s SER 28 CO 0.47 -2.03 1.63 0.00 1.20 0.00 0.00 173.24 174.51 1c9f h GLN 30 N 0.05 0.20 -0.21 0.00 5.75 -1.87 0.75 115.11 119.78 1c9f h GLN 30 Ca 0.83 -0.01 -0.20 0.00 -0.15 0.00 0.00 58.65 59.12 1c9f h GLN 30 Cb 2.95 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 31.46 1c9f h GLN 30 CO -0.24 0.13 -0.66 0.93 -2.65 0.00 0.00 178.83 176.34 1c9f h GLU 31 N 0.21 0.78 -0.57 1.69 3.07 0.22 -2.35 114.58 117.63 1c9f h GLU 31 Ca 0.30 -0.57 0.06 0.00 -0.50 0.00 0.00 59.36 58.66 1c9f h GLU 31 Cb 0.90 0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.85 1c9f h GLU 31 CO -0.06 1.19 0.27 -0.07 -1.40 0.00 0.00 179.01 178.94 1c9f h LEU 32 N 0.57 0.37 0.38 1.33 3.38 -0.85 0.82 115.31 121.31 1c9f h LEU 32 Ca -0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1c9f h LEU 32 Cb 1.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1c9f h LEU 32 CO 0.14 0.25 -0.18 -0.07 0.09 0.00 0.00 178.44 178.66 1c9f h LEU 33 N 0.52 -0.44 0.00 1.67 3.38 -1.39 0.07 115.31 119.12 1c9f h LEU 33 Ca 0.26 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1c9f h LEU 33 Cb 0.21 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1c9f h LEU 33 CO -0.20 -0.23 0.00 0.54 0.09 0.00 0.00 178.44 178.64 1c9f n ARG 34 N -3.81 0.00 0.15 1.13 5.12 -0.89 0.64 116.66 118.99 1c9f n ARG 34 Ca -0.06 0.83 0.17 0.00 -1.93 0.00 0.00 57.85 56.86 1c9f n ARG 34 Cb 0.20 -1.49 0.61 0.00 -1.16 0.00 0.00 32.46 30.62 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 0.00 -0.12 5.56 1.57 -0.95 0.30 116.57 122.92 1c9f h LYS 35 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1c9f h LYS 35 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1c9f h LYS 35 CO 0.00 0.00 -0.24 0.78 -0.57 0.00 0.00 179.45 179.42 1c9f h GLY 36 N 0.00 0.42 2.00 3.86 0.00 0.23 -2.21 103.07 107.36 1c9f h GLY 36 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1c9f h GLY 36 CO -0.00 0.44 0.00 0.00 0.00 0.00 0.00 176.54 176.98 1c9f h VAL 38 N 0.00 1.75 -0.40 0.00 2.07 -1.12 0.19 116.25 118.73 1c9f h VAL 38 Ca 0.00 -2.26 -0.15 0.00 0.82 0.00 0.00 66.70 65.11 1c9f h VAL 38 Cb 0.63 3.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.67 1c9f h VAL 38 CO 0.00 0.58 -0.32 -0.09 0.02 0.00 0.00 177.57 177.76 1c9f h ARG 39 N -0.97 0.91 0.00 1.57 1.12 -1.44 -2.81 114.38 112.76 1c9f h ARG 39 Ca -0.00 -0.44 0.00 0.00 -1.11 0.00 0.00 59.98 58.43 1c9f h ARG 39 Cb 0.96 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1c9f h ARG 39 CO 0.00 1.10 -0.25 0.74 -3.11 0.00 0.00 179.97 178.45 1c9f h PHE 40 N 0.76 0.00 -5.44 2.20 -1.00 -1.55 -3.49 116.94 108.42 1c9f h PHE 40 Ca 0.08 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1c9f h PHE 40 Cb 0.90 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.46 1c9f h PHE 40 CO 0.06 0.00 -0.61 1.04 -1.61 0.00 0.00 178.31 177.19 1c9f n GLN 41 N -2.26 -2.35 -4.06 1.51 6.02 0.59 -4.99 117.38 111.83 1c9f n GLN 41 Ca 0.05 2.05 -0.32 0.00 -0.01 0.00 0.00 57.00 58.77 1c9f n GLN 41 Cb 0.44 -5.20 -0.15 0.00 1.02 0.00 0.00 30.24 26.35 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 -2.56 3.32 0.87 1.08 1.98 -0.66 -5.01 118.68 117.70 1c9f s LEU 42 Ca 0.26 -1.36 -0.12 0.00 -2.89 0.00 0.00 54.13 50.02 1c9f s LEU 42 Cb -0.06 -1.51 0.11 0.00 0.66 0.00 0.00 46.19 45.39 1c9f s LEU 42 CO 0.78 -0.19 1.11 -2.16 -1.89 0.00 0.00 176.35 174.00 1c9f s PRO 43 N 1.14 1.49 -0.16 0.98 0.04 -1.26 -4.97 135.00 132.26 1c9f s PRO 43 Ca -0.08 0.51 -0.23 0.00 0.04 0.00 0.00 61.00 61.23 1c9f s PRO 43 Cb -0.20 -1.86 -0.24 0.00 0.04 0.00 0.00 34.50 32.25 1c9f s PRO 43 CO -0.05 -2.00 0.50 0.52 0.04 0.00 0.00 177.00 176.01 1c9f h MET 44 N -1.36 0.06 -6.56 4.56 2.86 -1.99 -3.40 114.93 109.10 1c9f h MET 44 Ca -0.49 -0.10 -0.52 0.00 -2.06 0.00 0.00 59.70 56.53 1c9f h MET 44 Cb 1.30 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 1c9f h MET 44 CO 0.60 1.05 0.32 -1.25 1.06 0.00 0.00 176.91 178.68 1c9f s PRO 45 N -2.34 4.69 -1.11 -0.22 0.04 -1.26 -3.42 135.00 131.38 1c9f s PRO 45 Ca -0.23 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1c9f s PRO 45 Cb 0.02 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1c9f s PRO 45 CO 0.67 0.31 0.00 0.41 0.04 0.00 0.00 177.00 178.43 1c9f n GLY 46 N 2.07 1.13 3.32 0.56 0.00 -1.26 -4.98 105.19 106.04 1c9f n GLY 46 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 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 1.39 0.00 1.61 0.01 -1.22 -2.81 113.70 109.80 1c9f s SER 47 Ca 0.00 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.59 1c9f s SER 47 Cb 0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1c9f s SER 47 CO 0.00 -1.09 0.00 0.54 0.41 0.00 0.00 173.24 173.10 1c9f n ARG 48 N -0.58 0.00 -3.89 12.44 1.74 0.89 -4.72 116.66 122.54 1c9f n ARG 48 Ca 0.06 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.92 1c9f n ARG 48 Cb 0.62 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.02 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 3.38 0.23 0.55 1.43 -0.30 -1.00 118.68 122.96 1c9f s LEU 49 Ca 0.00 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 1c9f s LEU 49 Cb 0.00 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1c9f s LEU 49 CO 0.00 -0.42 0.42 0.00 0.23 0.00 0.00 176.35 176.58 1c9f s LEU 51 N -3.02 4.21 0.00 0.00 1.02 0.64 -1.09 118.68 120.44 1c9f s LEU 51 Ca 0.23 0.31 0.29 0.00 0.02 0.00 0.00 54.13 54.99 1c9f s LEU 51 Cb 0.01 -2.20 1.29 0.00 0.02 0.00 0.00 46.19 45.31 1c9f s LEU 51 CO 0.08 0.13 1.94 0.00 0.02 0.00 0.00 176.35 178.52 1c9f n TYR 52 N 3.65 0.00 -0.05 0.29 9.36 -0.94 -1.37 117.16 128.10 1c9f n TYR 52 Ca -0.14 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 60.99 1c9f n TYR 52 Cb 0.52 -0.42 -0.02 0.00 -0.63 0.00 0.00 39.34 38.78 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 0.02 0.17 0.00 2.98 4.81 -1.93 -3.38 114.58 117.24 1c9f h GLU 53 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1c9f h GLU 53 Cb 0.44 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1c9f h GLU 53 CO 0.00 0.11 -0.03 -3.47 -0.73 0.00 0.00 179.01 174.89 1c9f n ASP 54 N -5.04 0.00 -0.49 1.04 2.03 -1.25 -4.45 116.55 108.39 1c9f n ASP 54 Ca -0.02 -1.06 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1c9f n ASP 54 Cb 0.08 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 0.00 0.65 3.96 0.27 0.00 -0.47 -3.53 105.19 106.07 1c9f n GLY 55 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.34 2.41 -0.12 2.61 2.01 -0.82 -4.78 115.64 114.62 1c9f s THR 56 Ca 0.00 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1c9f s THR 56 Cb 0.00 -2.90 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 1c9f s THR 56 CO 0.00 0.00 -0.21 -1.83 -0.69 0.00 0.00 174.62 171.89 1c9f s GLU 57 N -5.02 3.13 0.33 4.92 -1.05 -1.26 -0.26 118.70 119.48 1c9f s GLU 57 Ca 0.61 -0.82 -0.09 0.00 -0.15 0.00 0.00 54.97 54.51 1c9f s GLU 57 Cb -0.09 -2.41 0.02 0.00 -0.44 0.00 0.00 34.13 31.20 1c9f s GLU 57 CO 0.42 0.15 0.57 0.08 0.95 0.00 0.00 175.26 177.43 1c9f s VAL 58 N 0.44 0.00 0.37 1.83 1.01 0.43 -4.86 120.40 119.62 1c9f s VAL 58 Ca -0.15 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 60.51 1c9f s VAL 58 Cb -0.17 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1c9f s VAL 58 CO 0.06 0.00 0.06 0.42 0.00 0.00 0.00 175.10 175.64 1c9f s THR 59 N -3.12 1.19 -1.61 3.92 -4.23 -1.26 -1.15 115.64 109.38 1c9f s THR 59 Ca 0.24 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.05 1c9f s THR 59 Cb -0.02 -2.67 0.57 0.00 1.34 0.00 0.00 72.50 71.72 1c9f s THR 59 CO 0.15 0.00 2.02 -0.90 -0.54 0.00 0.00 174.62 175.34 1c9f n ASP 60 N -0.92 0.17 -0.32 3.99 5.75 -1.26 -3.21 116.55 120.76 1c9f n ASP 60 Ca -0.05 -0.44 0.04 0.00 -0.01 0.00 0.00 54.79 54.33 1c9f n ASP 60 Cb 0.66 -0.17 0.04 0.00 -1.03 0.00 0.00 41.12 40.63 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 -1.11 1.72 -0.08 -1.12 -0.08 -1.26 -4.57 116.55 110.05 1c9f n ASP 61 Ca 0.16 -1.38 -0.11 0.00 -1.51 0.00 0.00 54.79 51.95 1c9f n ASP 61 Cb 0.23 -0.01 -0.08 0.00 2.34 0.00 0.00 41.12 43.60 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1c9f n PHE 63 N -2.99 0.76 0.11 0.00 3.72 -1.20 -4.79 117.46 113.07 1c9f n PHE 63 Ca -0.29 0.40 -0.05 0.00 -0.05 0.00 0.00 57.45 57.46 1c9f n PHE 63 Cb 0.81 -2.40 -0.02 0.00 -0.94 0.00 0.00 39.48 36.93 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 12.35 -0.31 -0.43 -1.08 0.13 -1.94 -3.45 132.00 137.27 1c9f h PRO 64 Ca -0.08 0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.78 1c9f h PRO 64 Cb 1.32 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 32.32 1c9f h PRO 64 CO 1.32 -0.20 -0.61 0.41 -0.23 0.00 0.00 178.00 178.68 1c9f n GLY 65 N 0.62 1.10 3.14 1.56 0.00 -1.26 -4.79 105.19 105.56 1c9f n GLY 65 Ca -0.04 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 0.65 -3.32 0.00 0.99 4.77 -1.26 -4.95 117.00 113.88 1c9f n LEU 66 Ca 0.10 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1c9f n LEU 66 Cb 0.67 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1c9f n LEU 66 CO 0.08 -4.05 0.00 -0.81 -1.33 0.00 0.00 177.39 171.28 1c9f n PRO 67 N 0.77 -0.73 -1.96 3.23 -0.04 -1.26 -4.87 135.00 130.13 1c9f n PRO 67 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1c9f n PRO 67 Cb 0.62 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.11 1c9f n PRO 67 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1c9f s ASN 68 N -1.52 5.28 -1.39 3.54 2.47 -1.26 -2.93 114.94 119.12 1c9f s ASN 68 Ca 0.00 2.15 -0.15 0.00 0.42 0.00 0.00 52.86 55.28 1c9f s ASN 68 Cb 0.00 -2.57 0.14 0.00 -1.45 0.00 0.00 41.25 37.37 1c9f s ASN 68 CO 0.00 -1.52 0.52 0.47 -3.72 0.00 0.00 177.10 172.85 1c9f n ASP 69 N -1.90 -2.55 -4.45 -4.21 9.92 0.20 -4.68 116.55 108.88 1c9f n ASP 69 Ca 0.12 -0.69 -0.47 0.00 -0.53 0.00 0.00 54.79 53.21 1c9f n ASP 69 Cb 0.51 -2.16 -0.09 0.00 -0.64 0.00 0.00 41.12 38.74 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 -3.75 0.75 -2.23 2.24 0.00 -0.70 -3.73 120.51 113.10 1c9f n ALA 70 Ca 0.06 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1c9f n ALA 70 Cb 0.49 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 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 7.16 3.20 0.42 0.00 2.02 -1.26 -1.57 118.70 128.65 1c9f s GLU 71 Ca 1.15 0.76 0.08 0.00 0.02 0.00 0.00 54.97 56.97 1c9f s GLU 71 Cb -0.91 -4.18 0.01 0.00 0.10 0.00 0.00 34.13 29.14 1c9f s GLU 71 CO 0.47 -2.05 0.54 -0.51 0.02 0.00 0.00 175.26 173.74 1c9f s LEU 72 N 6.81 3.63 -0.05 1.80 1.02 -0.76 -2.22 118.68 128.92 1c9f s LEU 72 Ca 0.62 -0.46 -0.03 0.00 0.02 0.00 0.00 54.13 54.28 1c9f s LEU 72 Cb -0.14 -2.58 0.02 0.00 0.02 0.00 0.00 46.19 43.51 1c9f s LEU 72 CO 0.27 -0.73 0.11 -0.22 0.02 0.00 0.00 176.35 175.80 1c9f s LEU 73 N -4.31 1.37 -0.05 1.79 2.96 -0.25 -0.68 118.68 119.50 1c9f s LEU 73 Ca 0.54 0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 54.44 1c9f s LEU 73 Cb -0.09 0.36 -0.04 0.00 0.50 0.00 0.00 46.19 46.92 1c9f s LEU 73 CO 0.32 -0.07 0.74 -0.22 -1.32 0.00 0.00 176.35 175.81 1c9f s LEU 74 N 0.34 4.33 0.07 -0.68 2.96 -0.08 -2.18 118.68 123.44 1c9f s LEU 74 Ca -0.02 1.26 -0.08 0.00 -0.22 0.00 0.00 54.13 55.06 1c9f s LEU 74 Cb -0.04 -3.16 -0.00 0.00 0.50 0.00 0.00 46.19 43.50 1c9f s LEU 74 CO -0.01 -0.13 0.18 -0.22 -1.32 0.00 0.00 176.35 174.84 1c9f s LEU 75 N 0.81 1.47 0.26 -0.68 0.20 -0.17 -3.18 118.68 117.38 1c9f s LEU 75 Ca 0.40 -0.57 -0.11 0.00 0.69 0.00 0.00 54.13 54.54 1c9f s LEU 75 Cb -0.18 0.95 -0.01 0.00 -0.43 0.00 0.00 46.19 46.52 1c9f s LEU 75 CO 0.20 -0.66 0.46 0.42 -0.29 0.00 0.00 176.35 176.48 1c9f s THR 76 N -3.38 0.00 0.55 3.68 -4.23 -1.26 -0.08 115.64 110.92 1c9f s THR 76 Ca 0.01 -1.47 0.37 0.00 -1.18 0.00 0.00 61.69 59.43 1c9f s THR 76 Cb 0.03 -2.29 0.56 0.00 1.34 0.00 0.00 72.50 72.14 1c9f s THR 76 CO -0.08 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.79 1c9f h ALA 77 N 2.26 3.15 -0.31 3.99 0.00 -1.81 2.08 119.26 128.64 1c9f h ALA 77 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1c9f h ALA 77 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1c9f h ALA 77 CO 0.37 -1.51 0.00 0.41 0.00 0.00 0.00 179.25 178.52 1c9f n GLY 78 N -1.77 1.38 3.22 0.00 0.00 -1.26 -4.87 105.19 101.88 1c9f n GLY 78 Ca 0.26 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.68 0.86 -0.24 1.61 2.02 0.70 -5.15 118.70 116.83 1c9f s GLU 79 Ca 0.24 -0.91 -0.22 0.00 0.02 0.00 0.00 54.97 54.10 1c9f s GLU 79 Cb 0.15 0.35 0.06 0.00 0.10 0.00 0.00 34.13 34.80 1c9f s GLU 79 CO 0.12 -0.28 0.64 0.95 0.02 0.00 0.00 175.26 176.71 1c9f s THR 80 N -3.77 -0.00 -0.11 3.63 -4.23 -1.26 -4.09 115.64 105.81 1c9f s THR 80 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1c9f s THR 80 Cb 0.04 -0.90 -0.02 0.00 1.34 0.00 0.00 72.50 72.96 1c9f s THR 80 CO -0.11 0.00 -0.09 0.86 -0.54 0.00 0.00 174.62 174.75 1c9f s TRP 81 N 0.38 2.90 -0.08 3.99 -0.00 -1.26 -5.03 118.94 119.83 1c9f s TRP 81 Ca -0.00 -0.30 -0.06 0.00 -0.00 0.00 0.00 56.10 55.73 1c9f s TRP 81 Cb -0.05 -1.82 -0.04 0.00 -0.00 0.00 0.00 33.47 31.56 1c9f s TRP 81 CO 0.00 0.03 0.25 1.25 -0.00 0.00 0.00 176.95 178.49 1c9f h HIS 82 N 6.17 -0.17 0.00 5.86 -0.00 -1.98 -3.49 115.15 121.54 1c9f h HIS 82 Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 1c9f h HIS 82 Cb 1.19 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 1c9f h HIS 82 CO 0.53 -0.06 0.00 0.41 -0.00 0.00 0.00 177.93 178.80 1c9f n GLY 83 N 1.30 3.95 3.54 5.26 0.00 -1.26 -4.65 105.19 113.33 1c9f n GLY 83 Ca -0.03 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 2.66 0.00 1.61 5.04 -1.23 -4.79 117.35 118.64 1c9f s TYR 84 Ca 0.00 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.61 1c9f s TYR 84 Cb 0.00 -4.64 0.00 0.00 0.35 0.00 0.00 41.96 37.67 1c9f s TYR 84 CO 0.00 -1.85 0.00 1.33 -1.34 0.00 0.00 175.55 173.69 1c9f n VAL 85 N 6.60 0.00 -3.77 3.14 0.24 -1.26 -4.65 118.33 118.63 1c9f n VAL 85 Ca 0.33 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.38 1c9f n VAL 85 Cb 0.50 -1.23 0.02 0.00 -1.47 0.00 0.00 33.84 31.66 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 -2.99 -2.33 0.00 -1.34 7.64 -1.26 -5.20 113.62 108.14 1c9f n SER 86 Ca 0.00 -0.94 0.14 0.00 1.01 0.00 0.00 58.87 59.08 1c9f n SER 86 Cb 0.00 -3.54 0.85 0.00 -1.01 0.00 0.00 64.21 60.51 1c9f n SER 86 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36