#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 -0.48 0.00 -1.74 0.00 0.00 -1.26 -5.15 120.51 111.89 1c9f n ALA 3 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1c9f n ALA 3 Cb 0.12 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 2.49 -0.59 0.00 -7.23 -1.26 -4.96 120.40 108.86 1c9f s VAL 4 Ca 0.00 0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 60.32 1c9f s VAL 4 Cb 0.00 -3.11 0.14 0.00 0.56 0.00 0.00 36.38 33.97 1c9f s VAL 4 CO 0.00 -0.07 0.54 -0.76 -0.31 0.00 0.00 175.10 174.50 1c9f s LEU 5 N -4.17 6.27 -0.31 1.32 1.43 -1.26 -4.93 118.68 117.04 1c9f s LEU 5 Ca 0.78 -1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 51.90 1c9f s LEU 5 Cb -0.32 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 1c9f s LEU 5 CO 0.35 -0.81 2.86 0.54 0.23 0.00 0.00 176.35 179.52 1c9f n ARG 6 N 5.02 2.17 0.00 1.70 5.12 -1.26 -4.69 116.66 124.72 1c9f n ARG 6 Ca -0.09 -1.82 0.00 0.00 -1.93 0.00 0.00 57.85 54.01 1c9f n ARG 6 Cb 0.41 -1.99 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 1c9f n ARG 6 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1c9f n GLN 7 N 1.23 0.00 -2.43 5.56 10.64 -1.26 -5.15 117.38 125.97 1c9f n GLN 7 Ca 0.43 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 55.20 1c9f n GLN 7 Cb 0.64 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.98 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 0.00 4.60 0.05 2.61 0.04 -1.26 -4.85 135.00 136.19 1c9f s PRO 8 Ca 0.00 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 1c9f s PRO 8 Cb 0.00 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 1c9f s PRO 8 CO 0.00 0.16 0.42 0.21 0.04 0.00 0.00 177.00 177.83 1c9f s LYS 9 N -1.41 3.86 0.10 4.56 2.20 -0.50 -4.81 119.74 123.74 1c9f s LYS 9 Ca 0.45 0.32 0.09 0.00 -0.36 0.00 0.00 55.97 56.48 1c9f s LYS 9 Cb -0.33 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1c9f s LYS 9 CO 0.42 0.61 -0.22 0.00 -0.36 0.00 0.00 175.35 175.80 1c9f s VAL 11 N -1.04 -0.09 -0.53 0.00 -7.23 -0.42 0.26 120.40 111.35 1c9f s VAL 11 Ca 0.15 0.23 -0.27 0.00 -1.81 0.00 0.00 61.98 60.29 1c9f s VAL 11 Cb -0.10 -0.20 0.03 0.00 0.56 0.00 0.00 36.38 36.67 1c9f s VAL 11 CO 0.07 0.10 1.06 -0.54 -0.31 0.00 0.00 175.10 175.48 1c9f s LYS 12 N 1.37 3.51 -1.05 4.82 -0.14 0.40 -1.97 119.74 126.68 1c9f s LYS 12 Ca -0.07 0.15 -0.17 0.00 -1.36 0.00 0.00 55.97 54.53 1c9f s LYS 12 Cb -0.12 -3.99 0.14 0.00 -1.68 0.00 0.00 37.83 32.18 1c9f s LYS 12 CO -0.05 -1.48 1.28 -1.17 -0.76 0.00 0.00 175.35 173.17 1c9f s LEU 13 N 4.36 4.89 0.44 3.17 2.96 -0.98 -1.76 118.68 131.77 1c9f s LEU 13 Ca 0.39 -2.35 -0.08 0.00 -0.22 0.00 0.00 54.13 51.88 1c9f s LEU 13 Cb -0.09 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 1c9f s LEU 13 CO 0.25 -0.99 0.77 -0.60 -1.32 0.00 0.00 176.35 174.46 1c9f s ARG 14 N 2.54 3.65 -0.04 1.98 6.06 0.21 -0.48 118.95 132.87 1c9f s ARG 14 Ca 0.38 0.32 0.00 0.00 -2.50 0.00 0.00 55.73 53.93 1c9f s ARG 14 Cb -0.03 -2.39 0.03 0.00 0.06 0.00 0.00 34.95 32.61 1c9f s ARG 14 CO -0.05 -0.12 -0.01 0.00 -2.50 0.00 0.00 175.30 172.61 1c9f s ALA 15 N -2.56 0.47 0.18 6.12 0.00 -1.02 -0.92 121.76 124.03 1c9f s ALA 15 Ca 0.49 0.06 0.17 0.00 0.00 0.00 0.00 51.96 52.68 1c9f s ALA 15 Cb -0.10 -0.39 0.59 0.00 0.00 0.00 0.00 23.12 23.21 1c9f s ALA 15 CO 0.38 -0.09 1.70 -0.07 0.00 0.00 0.00 175.76 177.68 1c9f h LEU 16 N 7.32 0.00 -1.04 0.00 3.38 -1.89 -2.64 115.31 120.44 1c9f h LEU 16 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1c9f h LEU 16 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1c9f h LEU 16 CO 0.45 0.43 0.00 1.57 0.09 0.00 0.00 178.44 180.98 1c9f n HIS 17 N -3.57 0.36 -3.04 1.13 -0.00 -1.26 -4.85 115.22 103.98 1c9f n HIS 17 Ca -0.00 -0.15 0.00 0.00 0.46 0.00 0.00 57.72 58.03 1c9f n HIS 17 Cb 0.54 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1c9f n HIS 17 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1c9f n SER 18 N 0.10 0.63 -1.84 0.26 3.41 -1.00 -5.08 113.62 110.11 1c9f n SER 18 Ca 0.07 -0.04 -0.05 0.00 -0.26 0.00 0.00 58.87 58.59 1c9f n SER 18 Cb 0.28 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1c9f n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c9f n ALA 19 N -3.00 3.52 0.00 7.33 0.00 -1.26 -4.95 120.51 122.15 1c9f n ALA 19 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1c9f n ALA 19 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.08 -3.41 0.00 0.00 -1.26 -2.44 118.16 111.13 1c9f n LYS 21 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1c9f n LYS 21 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 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 -1.77 0.19 -0.79 5.58 5.36 0.37 -4.89 117.98 122.03 1c9f s PHE 22 Ca 0.00 -1.18 -0.25 0.00 -0.96 0.00 0.00 56.93 54.54 1c9f s PHE 22 Cb 0.00 -0.66 -0.09 0.00 -0.34 0.00 0.00 43.02 41.93 1c9f s PHE 22 CO 0.00 -0.90 2.19 0.20 -1.46 0.00 0.00 175.22 175.25 1c9f s GLY 23 N 1.31 -0.33 -0.16 13.12 0.00 -1.26 -2.31 107.32 117.71 1c9f s GLY 23 Ca 0.17 -0.98 -0.09 0.00 0.00 0.00 0.00 44.72 43.81 1c9f s GLY 23 CO -0.03 3.88 0.16 0.54 0.00 0.00 0.00 173.10 177.64 1c9f s VAL 24 N 12.32 5.43 0.11 1.40 0.11 -0.83 -4.89 120.40 134.05 1c9f s VAL 24 Ca 0.82 0.25 0.09 0.00 -2.93 0.00 0.00 61.98 60.22 1c9f s VAL 24 Cb -0.11 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 1c9f s VAL 24 CO 0.07 0.52 -0.21 0.00 -3.33 0.00 0.00 175.10 172.15 1c9f s ALA 25 N -0.26 2.58 -0.22 1.54 0.00 -1.26 -1.30 121.76 122.84 1c9f s ALA 25 Ca 0.12 -1.37 -0.28 0.00 0.00 0.00 0.00 51.96 50.43 1c9f s ALA 25 Cb -0.12 -0.57 0.13 0.00 0.00 0.00 0.00 23.12 22.55 1c9f s ALA 25 CO 0.02 0.58 1.02 0.00 0.00 0.00 0.00 175.76 177.37 1c9f s ALA 26 N -1.09 -1.95 0.07 0.00 0.00 0.30 -4.92 121.76 114.16 1c9f s ALA 26 Ca 0.16 1.72 -0.35 0.00 0.00 0.00 0.00 51.96 53.49 1c9f s ALA 26 Cb -0.10 -1.06 -0.19 0.00 0.00 0.00 0.00 23.12 21.76 1c9f s ALA 26 CO 0.08 -0.27 1.59 -0.09 0.00 0.00 0.00 175.76 177.07 1c9f h ARG 27 N 3.35 -1.08 -6.28 0.00 2.43 -1.89 -1.34 114.38 109.58 1c9f h ARG 27 Ca -0.23 0.07 -0.55 0.00 -0.81 0.00 0.00 59.98 58.46 1c9f h ARG 27 Cb 1.17 0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 30.88 1c9f h ARG 27 CO 0.21 -0.72 1.13 -1.12 -1.51 0.00 0.00 179.97 177.96 1c9f s SER 28 N -4.23 6.23 0.57 -3.80 0.01 -1.26 -4.31 113.70 106.91 1c9f s SER 28 Ca -0.19 -0.66 0.46 0.00 1.31 0.00 0.00 55.95 56.87 1c9f s SER 28 Cb 0.03 -2.56 1.60 0.00 0.21 0.00 0.00 66.02 65.31 1c9f s SER 28 CO 0.61 -1.76 1.54 0.00 0.41 0.00 0.00 173.24 174.04 1c9f h GLN 30 N 0.00 0.00 -0.17 0.00 4.15 -1.88 -2.03 115.11 115.18 1c9f h GLN 30 Ca 0.85 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 60.18 1c9f h GLN 30 Cb 3.57 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 31.26 1c9f h GLN 30 CO -0.01 0.01 -0.23 1.49 -1.93 0.00 0.00 178.83 178.16 1c9f h GLU 31 N 0.00 0.46 -0.70 1.69 4.81 0.28 -2.59 114.58 118.54 1c9f h GLU 31 Ca -0.00 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1c9f h GLU 31 Cb 0.01 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1c9f h GLU 31 CO 0.00 0.85 0.42 -0.07 -0.73 0.00 0.00 179.01 179.48 1c9f h LEU 32 N 0.11 0.67 0.38 1.64 3.38 -1.44 -1.74 115.31 118.31 1c9f h LEU 32 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1c9f h LEU 32 Cb 0.79 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1c9f h LEU 32 CO 0.05 0.45 -0.18 -0.07 0.09 0.00 0.00 178.44 178.78 1c9f h LEU 33 N 0.80 -0.43 -0.01 1.67 3.38 -1.43 0.10 115.31 119.40 1c9f h LEU 33 Ca 0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1c9f h LEU 33 Cb 0.10 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1c9f h LEU 33 CO -0.14 -0.29 -0.01 0.03 0.09 0.00 0.00 178.44 178.12 1c9f h ARG 34 N -0.54 -0.00 -0.94 1.13 2.47 -1.40 1.19 114.38 116.28 1c9f h ARG 34 Ca -0.05 0.00 0.27 0.00 -1.26 0.00 0.00 59.98 58.94 1c9f h ARG 34 Cb 0.39 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.67 1c9f h ARG 34 CO 0.09 -0.00 0.84 0.87 0.56 0.00 0.00 179.97 182.33 1c9f h LYS 35 N -0.00 0.00 0.32 0.04 1.57 -1.40 0.14 116.57 117.23 1c9f h LYS 35 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1c9f h LYS 35 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1c9f h LYS 35 CO -0.01 0.00 -0.15 0.78 -0.57 0.00 0.00 179.45 179.50 1c9f h GLY 36 N 0.00 -0.44 2.00 3.86 0.00 0.40 -2.09 103.07 106.79 1c9f h GLY 36 Ca 0.45 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1c9f h GLY 36 CO -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.37 1c9f n VAL 38 N -1.76 0.00 0.18 0.00 0.31 -0.66 -0.27 118.33 116.13 1c9f n VAL 38 Ca 0.00 0.41 0.18 0.00 -0.01 0.00 0.00 64.34 64.92 1c9f n VAL 38 Cb 0.06 -1.27 0.74 0.00 -0.91 0.00 0.00 33.84 32.46 1c9f n VAL 38 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1c9f h ARG 39 N 0.00 0.00 0.00 5.55 2.47 -1.41 0.27 114.38 121.26 1c9f h ARG 39 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1c9f h ARG 39 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1c9f h ARG 39 CO 0.00 0.00 -1.51 1.19 0.56 0.00 0.00 179.97 180.21 1c9f n PHE 40 N -3.37 0.00 -2.94 3.04 3.01 -0.84 -5.05 117.46 111.31 1c9f n PHE 40 Ca 0.04 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.43 1c9f n PHE 40 Cb 0.57 -0.28 0.01 0.00 -0.01 0.00 0.00 39.48 39.77 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 -2.43 -3.80 -1.08 1.13 0.95 -4.98 117.38 105.26 1c9f n GLN 41 Ca -0.01 2.08 -0.30 0.00 -1.94 0.00 0.00 57.00 56.83 1c9f n GLN 41 Cb 0.41 -4.29 -0.15 0.00 0.11 0.00 0.00 30.24 26.32 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 -1.92 2.85 0.59 1.08 1.98 -0.82 -5.00 118.68 117.44 1c9f s LEU 42 Ca 0.12 -1.77 -0.16 0.00 -2.89 0.00 0.00 54.13 49.43 1c9f s LEU 42 Cb -0.03 -1.05 -0.04 0.00 0.66 0.00 0.00 46.19 45.74 1c9f s LEU 42 CO 0.66 -0.41 1.07 -2.16 -1.89 0.00 0.00 176.35 173.62 1c9f s PRO 43 N 1.44 3.29 0.04 0.98 0.04 -1.26 -4.96 135.00 134.58 1c9f s PRO 43 Ca 0.10 1.27 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 1c9f s PRO 43 Cb -0.18 -2.03 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 1c9f s PRO 43 CO -0.21 -0.84 1.51 1.98 0.04 0.00 0.00 177.00 179.49 1c9f h MET 44 N 0.53 -0.14 -7.26 4.56 4.05 -2.00 -3.37 114.93 111.30 1c9f h MET 44 Ca -0.47 0.01 -0.50 0.00 -0.28 0.00 0.00 59.70 58.46 1c9f h MET 44 Cb 1.23 0.03 0.06 0.00 -0.80 0.00 0.00 31.60 32.12 1c9f h MET 44 CO 0.57 0.08 0.38 -1.25 0.23 0.00 0.00 176.91 176.92 1c9f s PRO 45 N -5.38 3.39 -1.64 0.39 0.04 -1.26 -3.73 135.00 126.80 1c9f s PRO 45 Ca -0.14 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.79 1c9f s PRO 45 Cb 0.04 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.63 1c9f s PRO 45 CO 0.64 -0.74 0.48 0.41 0.04 0.00 0.00 177.00 177.83 1c9f n GLY 46 N -1.68 -0.31 3.87 0.56 0.00 -1.26 -4.86 105.19 101.50 1c9f n GLY 46 Ca 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.79 -0.01 0.00 1.61 0.01 -1.24 -4.28 113.70 105.99 1c9f s SER 47 Ca 0.42 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1c9f s SER 47 Cb -0.23 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1c9f s SER 47 CO 0.96 -1.00 0.00 0.54 0.41 0.00 0.00 173.24 174.15 1c9f n ARG 48 N -0.67 0.00 -4.47 12.44 1.74 0.10 -4.62 116.66 121.17 1c9f n ARG 48 Ca -0.03 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 1c9f n ARG 48 Cb 0.60 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.94 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 2.93 -0.20 0.55 1.43 -0.46 -0.67 118.68 122.26 1c9f s LEU 49 Ca 0.00 -1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 51.67 1c9f s LEU 49 Cb 0.00 -1.08 0.05 0.00 0.03 0.00 0.00 46.19 45.19 1c9f s LEU 49 CO 0.00 -0.42 0.54 0.00 0.23 0.00 0.00 176.35 176.70 1c9f s LEU 51 N 0.33 4.35 0.00 0.00 0.20 0.75 -1.45 118.68 122.86 1c9f s LEU 51 Ca -0.00 2.32 0.28 0.00 0.69 0.00 0.00 54.13 57.41 1c9f s LEU 51 Cb -0.04 -3.57 1.60 0.00 -0.43 0.00 0.00 46.19 43.75 1c9f s LEU 51 CO 0.00 -0.75 2.04 0.00 -0.29 0.00 0.00 176.35 177.35 1c9f n TYR 52 N 4.88 0.01 -0.12 5.38 9.36 -0.81 -1.51 117.16 134.34 1c9f n TYR 52 Ca 0.13 -0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.28 1c9f n TYR 52 Cb 0.42 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.13 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 0.20 0.47 0.00 2.98 4.81 -1.90 -3.39 114.58 117.75 1c9f h GLU 53 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1c9f h GLU 53 Cb 0.04 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1c9f h GLU 53 CO 0.00 0.31 -0.12 -0.25 -0.73 0.00 0.00 179.01 178.21 1c9f n ASP 54 N -4.85 0.00 0.00 1.04 8.00 -1.25 -4.38 116.55 115.10 1c9f n ASP 54 Ca 0.01 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1c9f n ASP 54 Cb 0.05 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 1.44 3.82 0.44 0.00 -1.02 -3.47 105.19 106.41 1c9f n GLY 55 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 3.17 -0.09 2.61 2.01 -0.57 -4.81 115.64 115.96 1c9f s THR 56 Ca 0.00 0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.42 1c9f s THR 56 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1c9f s THR 56 CO 0.00 -0.50 -0.22 -1.61 -0.69 0.00 0.00 174.62 171.60 1c9f s GLU 57 N -5.20 2.77 0.30 4.92 2.02 -1.26 -0.18 118.70 122.07 1c9f s GLU 57 Ca 0.60 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 54.67 1c9f s GLU 57 Cb -0.14 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 31.97 1c9f s GLU 57 CO 0.54 0.18 0.56 0.08 0.02 0.00 0.00 175.26 176.63 1c9f s VAL 58 N 0.33 0.00 0.31 2.63 1.01 0.36 -4.80 120.40 120.24 1c9f s VAL 58 Ca -0.16 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 60.55 1c9f s VAL 58 Cb -0.17 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 1c9f s VAL 58 CO 0.08 0.00 -0.07 0.42 0.00 0.00 0.00 175.10 175.52 1c9f s THR 59 N -3.44 1.89 -0.73 3.92 -4.23 -1.26 -1.35 115.64 110.44 1c9f s THR 59 Ca 0.22 -2.16 0.17 0.00 -1.18 0.00 0.00 61.69 58.74 1c9f s THR 59 Cb -0.02 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.44 1c9f s THR 59 CO 0.12 -0.25 1.51 -0.90 -0.54 0.00 0.00 174.62 174.56 1c9f n ASP 60 N -0.67 0.30 -0.32 3.99 5.68 -1.26 -1.84 116.55 122.43 1c9f n ASP 60 Ca -0.05 0.59 0.08 0.00 -0.50 0.00 0.00 54.79 54.91 1c9f n ASP 60 Cb 0.63 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 1c9f n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1c9f n ASP 61 N -1.84 1.53 -1.13 -1.12 5.75 -1.26 -4.33 116.55 114.15 1c9f n ASP 61 Ca 0.02 -1.26 0.08 0.00 -0.01 0.00 0.00 54.79 53.62 1c9f n ASP 61 Cb 0.15 0.54 0.28 0.00 -1.03 0.00 0.00 41.12 41.07 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c9f s PHE 63 N -2.31 3.44 0.00 0.00 0.08 -1.22 -4.79 117.98 113.18 1c9f s PHE 63 Ca 0.42 -1.61 0.00 0.00 0.12 0.00 0.00 56.93 55.86 1c9f s PHE 63 Cb 0.31 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1c9f s PHE 63 CO 0.14 -1.00 0.00 -0.35 -0.10 0.00 0.00 175.22 173.91 1c9f n PRO 64 N 4.76 0.00 -3.20 0.24 -0.04 -1.26 -4.66 135.00 130.83 1c9f n PRO 64 Ca -0.04 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.09 1c9f n PRO 64 Cb 0.42 -0.18 -0.04 0.00 -0.04 0.00 0.00 33.50 33.66 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 1.88 5.08 3.26 0.55 0.00 -1.26 -4.84 105.19 109.86 1c9f n GLY 65 Ca 0.00 -2.73 -0.38 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 0.85 -2.94 -4.81 0.99 4.77 -1.26 -4.92 117.00 109.67 1c9f n LEU 66 Ca 0.30 0.55 -0.30 0.00 -0.03 0.00 0.00 56.01 56.53 1c9f n LEU 66 Cb 0.37 -0.93 0.08 0.00 -2.33 0.00 0.00 43.42 40.62 1c9f n LEU 66 CO 0.51 -4.59 0.72 -2.16 -1.33 0.00 0.00 177.39 170.54 1c9f s PRO 67 N -1.63 2.20 0.54 3.23 0.04 -1.26 -4.88 135.00 133.24 1c9f s PRO 67 Ca 0.56 0.64 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 1c9f s PRO 67 Cb -0.40 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 1c9f s PRO 67 CO 0.67 -1.54 0.57 -1.71 0.04 0.00 0.00 177.00 175.03 1c9f n ASN 68 N -3.38 -0.80 -3.89 6.66 2.85 -1.26 -0.62 115.26 114.82 1c9f n ASN 68 Ca 0.07 0.78 -0.30 0.00 -0.11 0.00 0.00 54.58 55.02 1c9f n ASN 68 Cb 0.56 -1.18 -0.04 0.00 1.24 0.00 0.00 39.78 40.36 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 0.57 -2.34 -4.58 1.20 9.92 0.71 -4.71 116.55 117.32 1c9f n ASP 69 Ca 0.12 -0.72 -0.58 0.00 -0.53 0.00 0.00 54.79 53.07 1c9f n ASP 69 Cb 0.46 -2.00 -0.08 0.00 -0.64 0.00 0.00 41.12 38.86 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 -3.73 -2.29 -2.58 2.24 0.00 0.21 -4.00 120.51 110.35 1c9f n ALA 70 Ca 0.06 0.54 -0.43 0.00 0.00 0.00 0.00 53.44 53.62 1c9f n ALA 70 Cb 0.48 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 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 0.90 3.30 0.05 0.00 0.41 -1.26 -0.46 118.70 121.64 1c9f s GLU 71 Ca 0.92 -0.36 0.08 0.00 -0.41 0.00 0.00 54.97 55.20 1c9f s GLU 71 Cb -1.20 -3.98 -0.03 0.00 -1.78 0.00 0.00 34.13 27.13 1c9f s GLU 71 CO 0.59 -1.14 -0.22 -0.51 -0.49 0.00 0.00 175.26 173.49 1c9f s LEU 72 N 3.08 2.43 -0.03 1.80 1.02 -0.72 -1.93 118.68 124.33 1c9f s LEU 72 Ca 0.25 -0.52 0.04 0.00 0.02 0.00 0.00 54.13 53.92 1c9f s LEU 72 Cb -0.14 -1.41 -0.00 0.00 0.02 0.00 0.00 46.19 44.65 1c9f s LEU 72 CO 0.19 0.25 -0.14 -0.22 0.02 0.00 0.00 176.35 176.45 1c9f s LEU 73 N -1.44 1.93 0.23 1.79 2.96 -0.53 -0.62 118.68 123.00 1c9f s LEU 73 Ca 0.14 -0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 53.47 1c9f s LEU 73 Cb -0.10 -0.78 -0.09 0.00 0.50 0.00 0.00 46.19 45.72 1c9f s LEU 73 CO 0.04 0.14 1.02 -0.22 -1.32 0.00 0.00 176.35 176.01 1c9f s LEU 74 N -0.07 4.58 0.17 -0.68 2.96 -0.10 -2.23 118.68 123.31 1c9f s LEU 74 Ca 0.00 2.07 -0.18 0.00 -0.22 0.00 0.00 54.13 55.80 1c9f s LEU 74 Cb -0.08 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1c9f s LEU 74 CO 0.01 -0.02 0.50 -0.22 -1.32 0.00 0.00 176.35 175.30 1c9f s LEU 75 N -1.06 0.04 0.28 -0.68 0.20 0.16 -3.35 118.68 114.27 1c9f s LEU 75 Ca 0.44 -0.33 -0.14 0.00 0.69 0.00 0.00 54.13 54.79 1c9f s LEU 75 Cb -0.28 2.15 0.01 0.00 -0.43 0.00 0.00 46.19 47.64 1c9f s LEU 75 CO 0.35 -0.98 0.56 0.42 -0.29 0.00 0.00 176.35 176.42 1c9f s THR 76 N -3.83 0.00 0.60 3.68 -4.23 -1.25 0.02 115.64 110.63 1c9f s THR 76 Ca 0.06 -1.30 0.28 0.00 -1.18 0.00 0.00 61.69 59.55 1c9f s THR 76 Cb -0.00 -2.28 0.38 0.00 1.34 0.00 0.00 72.50 71.94 1c9f s THR 76 CO -0.08 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.77 1c9f h ALA 77 N 2.16 2.33 -0.56 3.99 0.00 -1.82 1.31 119.26 126.67 1c9f h ALA 77 Ca -0.25 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1c9f h ALA 77 Cb 1.25 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1c9f h ALA 77 CO 0.34 -0.94 0.17 0.41 0.00 0.00 0.00 179.25 179.23 1c9f n GLY 78 N -1.54 3.08 3.46 0.00 0.00 -1.26 -4.91 105.19 104.02 1c9f n GLY 78 Ca 0.11 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.43 1.30 -0.02 1.61 2.02 0.45 -5.13 118.70 116.49 1c9f s GLU 79 Ca 0.43 -0.74 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 1c9f s GLU 79 Cb 0.34 0.53 0.07 0.00 0.10 0.00 0.00 34.13 35.17 1c9f s GLU 79 CO 0.11 -0.55 0.68 0.95 0.02 0.00 0.00 175.26 176.47 1c9f s THR 80 N -3.83 0.00 -0.11 3.63 -4.23 -1.26 -4.15 115.64 105.69 1c9f s THR 80 Ca 0.06 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1c9f s THR 80 Cb -0.00 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.85 1c9f s THR 80 CO -0.07 0.00 -0.17 0.86 -0.54 0.00 0.00 174.62 174.70 1c9f s TRP 81 N -1.52 2.09 0.00 3.99 -0.00 -1.26 -5.06 118.94 117.18 1c9f s TRP 81 Ca -0.09 -0.96 0.00 0.00 -0.00 0.00 0.00 56.10 55.04 1c9f s TRP 81 Cb -0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 33.47 31.99 1c9f s TRP 81 CO 0.07 -0.47 0.62 1.58 -0.00 0.00 0.00 176.95 178.74 1c9f n HIS 82 N 4.07 0.00 0.00 5.86 -0.00 -1.26 -4.94 115.22 118.94 1c9f n HIS 82 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.52 1c9f n HIS 82 Cb 0.51 -0.43 0.00 0.00 -0.00 0.00 0.00 29.99 30.07 1c9f n HIS 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1c9f n GLY 83 N 0.09 0.15 2.69 1.57 0.00 -1.26 -4.49 105.19 103.93 1c9f n GLY 83 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.82 3.42 -4.76 1.61 9.36 -1.23 -4.73 117.16 120.02 1c9f n TYR 84 Ca 0.00 -3.11 -0.33 0.00 3.32 0.00 0.00 57.90 57.78 1c9f n TYR 84 Cb 0.00 -0.50 -0.07 0.00 -0.63 0.00 0.00 39.34 38.14 1c9f n TYR 84 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1c9f s VAL 85 N -5.10 1.06 -0.71 2.97 1.01 -1.26 -4.70 120.40 113.67 1c9f s VAL 85 Ca 0.48 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.49 1c9f s VAL 85 Cb 0.36 -2.10 0.34 0.00 0.00 0.00 0.00 36.38 34.98 1c9f s VAL 85 CO -0.22 0.00 1.21 -1.54 0.00 0.00 0.00 175.10 174.55 1c9f n SER 86 N -1.30 5.34 0.00 3.32 3.41 -1.26 -5.18 113.62 117.96 1c9f n SER 86 Ca -0.20 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.72 1c9f n SER 86 Cb 0.67 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1c9f n SER 86 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98