#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9f s ALA 3 N -1.08 -3.47 -0.41 0.00 0.00 -1.26 -5.08 121.76 110.46 1c9f s ALA 3 Ca 0.00 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1c9f s ALA 3 Cb 0.00 -2.88 0.23 0.00 0.00 0.00 0.00 23.12 20.47 1c9f s ALA 3 CO 0.00 -2.38 1.01 1.55 0.00 0.00 0.00 175.76 175.94 1c9f n VAL 4 N 3.69 0.00 -3.99 0.00 3.14 -1.26 -5.15 118.33 114.76 1c9f n VAL 4 Ca 0.10 -0.83 -0.34 0.00 -2.96 0.00 0.00 64.34 60.31 1c9f n VAL 4 Cb 0.61 1.05 -0.06 0.00 -1.06 0.00 0.00 33.84 34.38 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 0.20 4.17 -0.37 6.55 1.43 -1.26 -5.02 118.68 124.38 1c9f s LEU 5 Ca 0.28 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 1c9f s LEU 5 Cb 0.15 -2.37 0.44 0.00 0.03 0.00 0.00 46.19 44.45 1c9f s LEU 5 CO -0.13 0.29 1.13 0.54 0.23 0.00 0.00 176.35 178.42 1c9f n ARG 6 N 1.25 3.26 0.00 1.70 5.12 -1.26 -4.93 116.66 121.81 1c9f n ARG 6 Ca -0.13 -4.25 0.00 0.00 -1.93 0.00 0.00 57.85 51.53 1c9f n ARG 6 Cb 0.53 -2.16 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 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 -0.54 0.00 -2.28 5.56 10.64 -1.26 -5.13 117.38 124.37 1c9f n GLN 7 Ca 0.37 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 55.12 1c9f n GLN 7 Cb 0.79 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 30.14 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 4.28 0.56 2.61 0.04 -1.26 -4.78 135.00 136.45 1c9f s PRO 8 Ca 0.00 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1c9f s PRO 8 Cb 0.00 -3.63 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 1c9f s PRO 8 CO 0.00 -0.59 0.95 0.15 0.04 0.00 0.00 177.00 177.55 1c9f s LYS 9 N 2.62 3.66 0.10 4.56 1.02 -0.12 -4.69 119.74 126.89 1c9f s LYS 9 Ca 0.62 0.64 0.07 0.00 0.02 0.00 0.00 55.97 57.31 1c9f s LYS 9 Cb -0.29 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1c9f s LYS 9 CO 0.24 -0.40 -0.17 0.00 -0.92 0.00 0.00 175.35 174.10 1c9f s VAL 11 N -1.52 0.14 -0.45 0.00 -7.23 0.34 0.25 120.40 111.92 1c9f s VAL 11 Ca 0.05 -1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.02 1c9f s VAL 11 Cb -0.08 -0.60 0.12 0.00 0.56 0.00 0.00 36.38 36.37 1c9f s VAL 11 CO 0.04 -0.63 0.29 -0.54 -0.31 0.00 0.00 175.10 173.94 1c9f s LYS 12 N -2.12 2.25 -1.03 4.82 -0.14 -0.10 -1.12 119.74 122.29 1c9f s LYS 12 Ca -0.10 -1.85 -0.21 0.00 -1.36 0.00 0.00 55.97 52.45 1c9f s LYS 12 Cb -0.05 -3.75 0.07 0.00 -1.68 0.00 0.00 37.83 32.42 1c9f s LYS 12 CO -0.03 -1.13 1.41 -1.17 -0.76 0.00 0.00 175.35 173.66 1c9f s LEU 13 N 1.14 3.90 0.28 3.17 2.96 -1.04 -2.19 118.68 126.90 1c9f s LEU 13 Ca 0.08 -1.71 -0.00 0.00 -0.22 0.00 0.00 54.13 52.28 1c9f s LEU 13 Cb -0.24 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1c9f s LEU 13 CO -0.03 -1.36 0.48 -0.60 -1.32 0.00 0.00 176.35 173.52 1c9f s ARG 14 N 4.34 3.52 -0.01 1.98 6.06 -0.32 0.12 118.95 134.63 1c9f s ARG 14 Ca 0.44 -0.32 0.02 0.00 -2.50 0.00 0.00 55.73 53.36 1c9f s ARG 14 Cb -0.01 -2.74 -0.00 0.00 0.06 0.00 0.00 34.95 32.26 1c9f s ARG 14 CO -0.08 0.27 -0.06 0.00 -2.50 0.00 0.00 175.30 172.93 1c9f s ALA 15 N -2.10 0.54 -0.18 6.12 0.00 -0.95 -0.11 121.76 125.08 1c9f s ALA 15 Ca 0.39 -0.26 0.25 0.00 0.00 0.00 0.00 51.96 52.35 1c9f s ALA 15 Cb -0.10 -0.16 0.66 0.00 0.00 0.00 0.00 23.12 23.52 1c9f s ALA 15 CO 0.32 0.12 1.72 -0.07 0.00 0.00 0.00 175.76 177.85 1c9f h LEU 16 N 6.07 0.00 0.00 0.00 3.38 -1.88 -2.82 115.31 120.06 1c9f h LEU 16 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1c9f h LEU 16 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1c9f h LEU 16 CO 0.50 0.09 0.00 1.57 0.09 0.00 0.00 178.44 180.69 1c9f n HIS 17 N -3.15 0.00 -3.68 1.13 -0.00 -1.26 -4.76 115.22 103.50 1c9f n HIS 17 Ca 0.02 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.08 1c9f n HIS 17 Cb 0.48 -0.10 -0.09 0.00 -0.12 0.00 0.00 29.99 30.16 1c9f n HIS 17 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1c9f s SER 18 N -2.20 -0.62 -0.40 0.26 0.15 -1.06 -5.03 113.70 104.79 1c9f s SER 18 Ca 0.40 1.16 -0.06 0.00 0.70 0.00 0.00 55.95 58.15 1c9f s SER 18 Cb 0.21 1.15 -0.17 0.00 -1.71 0.00 0.00 66.02 65.49 1c9f s SER 18 CO 0.39 -0.20 2.86 0.00 1.20 0.00 0.00 173.24 177.49 1c9f n ALA 19 N 3.06 5.59 -3.21 5.45 0.00 -1.26 -4.22 120.51 125.92 1c9f n ALA 19 Ca -0.15 -1.88 -0.09 0.00 0.00 0.00 0.00 53.44 51.32 1c9f n ALA 19 Cb 0.56 -2.58 -0.05 0.00 0.00 0.00 0.00 19.45 17.38 1c9f n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f s LYS 21 N -3.95 1.04 -0.64 0.00 -2.85 -1.26 -2.24 119.74 109.84 1c9f s LYS 21 Ca 0.16 -0.99 0.01 0.00 -1.00 0.00 0.00 55.97 54.14 1c9f s LYS 21 Cb -0.01 0.39 0.16 0.00 -2.06 0.00 0.00 37.83 36.31 1c9f s LYS 21 CO 0.03 -0.37 0.43 0.12 0.10 0.00 0.00 175.35 175.66 1c9f s PHE 22 N -3.89 3.41 -0.71 1.78 5.36 0.31 -4.85 117.98 119.39 1c9f s PHE 22 Ca 0.09 -2.99 -0.26 0.00 -0.96 0.00 0.00 56.93 52.82 1c9f s PHE 22 Cb 0.03 -3.02 -0.05 0.00 -0.34 0.00 0.00 43.02 39.64 1c9f s PHE 22 CO -0.06 -0.76 2.05 0.20 -1.46 0.00 0.00 175.22 175.19 1c9f s GLY 23 N -0.02 -0.05 0.16 13.12 0.00 -1.26 -2.50 107.32 116.77 1c9f s GLY 23 Ca 0.19 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.14 1c9f s GLY 23 CO -0.05 3.67 0.05 0.54 0.00 0.00 0.00 173.10 177.31 1c9f s VAL 24 N 10.68 4.04 0.31 1.40 0.11 -0.28 -4.90 120.40 131.76 1c9f s VAL 24 Ca 0.76 -1.24 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1c9f s VAL 24 Cb -0.11 -3.03 -0.06 0.00 -1.53 0.00 0.00 36.38 31.64 1c9f s VAL 24 CO 0.13 -0.08 -0.03 0.00 -3.33 0.00 0.00 175.10 171.79 1c9f s ALA 25 N -1.68 2.52 0.00 1.54 0.00 -1.26 -0.50 121.76 122.37 1c9f s ALA 25 Ca 0.28 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1c9f s ALA 25 Cb -0.10 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1c9f s ALA 25 CO 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.86 1c9f n ALA 26 N -0.67 0.00 0.14 0.00 0.00 0.25 -4.87 120.51 115.36 1c9f n ALA 26 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1c9f n ALA 26 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.35 -5.85 0.00 3.08 -1.86 -0.30 114.38 109.09 1c9f h ARG 27 Ca 0.00 0.02 -0.60 0.00 0.07 0.00 0.00 59.98 59.48 1c9f h ARG 27 Cb 0.00 0.08 -0.12 0.00 0.08 0.00 0.00 29.97 30.01 1c9f h ARG 27 CO 0.00 -0.02 0.93 -1.12 -1.07 0.00 0.00 179.97 178.69 1c9f s SER 28 N -5.14 6.28 0.55 7.04 0.01 -1.26 -4.42 113.70 116.76 1c9f s SER 28 Ca -0.14 -0.99 0.47 0.00 1.31 0.00 0.00 55.95 56.60 1c9f s SER 28 Cb 0.02 -2.50 1.69 0.00 0.21 0.00 0.00 66.02 65.44 1c9f s SER 28 CO 0.56 -1.56 1.62 0.00 0.41 0.00 0.00 173.24 174.27 1c9f h GLN 30 N 0.01 0.00 0.01 0.00 7.50 -1.88 -0.46 115.11 120.28 1c9f h GLN 30 Ca 0.87 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.86 1c9f h GLN 30 Cb 3.43 0.00 0.01 0.00 0.05 0.00 0.00 27.48 30.97 1c9f h GLN 30 CO -0.05 0.00 -0.64 0.93 -1.50 0.00 0.00 178.83 177.57 1c9f h GLU 31 N 0.00 0.42 -0.80 1.46 3.07 0.17 -2.27 114.58 116.63 1c9f h GLU 31 Ca 0.18 -0.46 0.06 0.00 -0.50 0.00 0.00 59.36 58.64 1c9f h GLU 31 Cb 0.86 0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.85 1c9f h GLU 31 CO -0.00 1.13 0.49 -0.07 -1.40 0.00 0.00 179.01 179.16 1c9f h LEU 32 N -0.10 0.77 0.64 1.33 3.38 -1.18 0.14 115.31 120.30 1c9f h LEU 32 Ca -0.08 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1c9f h LEU 32 Cb 1.36 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1c9f h LEU 32 CO 0.13 0.50 -0.31 -0.07 0.09 0.00 0.00 178.44 178.78 1c9f h LEU 33 N 0.91 -0.73 0.00 1.67 3.38 -1.41 -0.01 115.31 119.12 1c9f h LEU 33 Ca 0.35 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1c9f h LEU 33 Cb 0.15 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1c9f h LEU 33 CO -0.16 -0.34 0.00 0.54 0.09 0.00 0.00 178.44 178.57 1c9f n ARG 34 N -5.35 0.00 0.01 1.13 3.00 -0.85 -0.30 116.66 114.30 1c9f n ARG 34 Ca -0.11 0.63 0.22 0.00 -0.01 0.00 0.00 57.85 58.57 1c9f n ARG 34 Cb 0.34 -1.48 0.59 0.00 0.00 0.00 0.00 32.46 31.92 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 0.11 5.56 1.57 -0.86 0.18 116.57 123.14 1c9f h LYS 35 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 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 -0.05 0.78 -0.57 0.00 0.00 179.45 179.61 1c9f h GLY 36 N 0.00 -0.16 2.00 3.86 0.00 0.84 -2.55 103.07 107.06 1c9f h GLY 36 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1c9f h GLY 36 CO -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.48 1c9f h VAL 38 N 0.00 0.00 -0.86 0.00 2.07 -1.00 0.24 116.25 116.70 1c9f h VAL 38 Ca 0.00 -0.09 0.23 0.00 0.82 0.00 0.00 66.70 67.65 1c9f h VAL 38 Cb 0.20 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 1c9f h VAL 38 CO 0.00 0.00 0.60 -0.09 0.02 0.00 0.00 177.57 178.10 1c9f h ARG 39 N -0.09 0.15 0.00 1.57 9.65 -1.50 0.60 114.38 124.75 1c9f h ARG 39 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1c9f h ARG 39 Cb 0.01 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1c9f h ARG 39 CO 0.00 0.10 -0.88 0.74 2.80 0.00 0.00 179.97 182.73 1c9f h PHE 40 N 0.15 0.00 -5.50 2.20 -1.00 -1.57 -3.49 116.94 107.73 1c9f h PHE 40 Ca 0.42 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.14 1c9f h PHE 40 Cb 1.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.00 1c9f h PHE 40 CO -0.00 0.00 -0.64 1.04 -1.61 0.00 0.00 178.31 177.10 1c9f n GLN 41 N -2.44 -2.34 -3.99 1.51 6.02 0.21 -4.98 117.38 111.37 1c9f n GLN 41 Ca 0.01 2.03 -0.33 0.00 -0.01 0.00 0.00 57.00 58.70 1c9f n GLN 41 Cb 0.51 -5.04 -0.14 0.00 1.02 0.00 0.00 30.24 26.59 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 -2.53 4.21 0.66 1.08 1.98 -0.36 -5.00 118.68 118.71 1c9f s LEU 42 Ca 0.26 -1.72 -0.14 0.00 -2.89 0.00 0.00 54.13 49.64 1c9f s LEU 42 Cb -0.06 -1.64 -0.00 0.00 0.66 0.00 0.00 46.19 45.15 1c9f s LEU 42 CO 0.78 -0.31 1.09 -2.16 -1.89 0.00 0.00 176.35 173.86 1c9f s PRO 43 N 1.06 2.86 0.02 0.98 0.04 -1.26 -4.98 135.00 133.73 1c9f s PRO 43 Ca 0.01 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 1c9f s PRO 43 Cb -0.20 -1.97 -0.17 0.00 0.04 0.00 0.00 34.50 32.21 1c9f s PRO 43 CO -0.05 -1.19 1.31 1.98 0.04 0.00 0.00 177.00 179.09 1c9f h MET 44 N -0.06 -0.45 -7.48 4.56 4.05 -1.99 -3.38 114.93 110.19 1c9f h MET 44 Ca -0.46 0.03 -0.48 0.00 -0.28 0.00 0.00 59.70 58.50 1c9f h MET 44 Cb 1.24 0.10 0.10 0.00 -0.80 0.00 0.00 31.60 32.23 1c9f h MET 44 CO 0.55 -0.15 0.38 -1.25 0.23 0.00 0.00 176.91 176.67 1c9f s PRO 45 N -4.94 2.33 -0.97 0.39 0.04 -1.26 -3.77 135.00 126.83 1c9f s PRO 45 Ca -0.15 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 1c9f s PRO 45 Cb 0.03 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.71 1c9f s PRO 45 CO 0.56 -1.40 0.31 0.41 0.04 0.00 0.00 177.00 176.92 1c9f n GLY 46 N -2.71 -0.46 3.67 0.56 0.00 -1.26 -4.84 105.19 100.15 1c9f n GLY 46 Ca 0.07 0.04 -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 -0.45 0.00 0.00 0.00 173.32 172.87 1c9f s SER 47 N -2.60 -0.06 0.00 1.61 0.15 -1.25 -3.69 113.70 107.86 1c9f s SER 47 Ca 0.39 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1c9f s SER 47 Cb -0.22 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1c9f s SER 47 CO 0.48 -1.25 0.00 0.54 1.20 0.00 0.00 173.24 174.21 1c9f n ARG 48 N -0.43 0.00 -4.34 5.44 1.74 0.95 -4.63 116.66 115.40 1c9f n ARG 48 Ca -0.03 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.79 1c9f n ARG 48 Cb 0.61 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.96 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 2.97 -0.28 0.55 1.43 -0.64 -0.44 118.68 122.28 1c9f s LEU 49 Ca 0.00 -1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 51.71 1c9f s LEU 49 Cb 0.00 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.11 1c9f s LEU 49 CO 0.00 -0.54 0.70 0.00 0.23 0.00 0.00 176.35 176.74 1c9f n LEU 51 N 4.10 2.80 0.03 0.00 4.32 0.82 -1.87 117.00 127.20 1c9f n LEU 51 Ca -0.19 1.13 0.11 0.00 -0.02 0.00 0.00 56.01 57.04 1c9f n LEU 51 Cb 0.58 -1.38 0.09 0.00 -1.62 0.00 0.00 43.42 41.09 1c9f n LEU 51 CO -0.01 -0.59 0.17 0.00 -1.22 0.00 0.00 177.39 175.74 1c9f n TYR 52 N 2.21 0.24 0.15 -1.77 9.36 -0.82 -2.27 117.16 124.26 1c9f n TYR 52 Ca 0.14 0.07 0.19 0.00 3.32 0.00 0.00 57.90 61.62 1c9f n TYR 52 Cb 0.29 -0.40 0.77 0.00 -0.63 0.00 0.00 39.34 39.37 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 0.00 0.00 2.98 4.81 -1.90 -3.38 114.58 117.09 1c9f h GLU 53 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1c9f h GLU 53 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1c9f h GLU 53 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.81 1c9f n ASP 54 N -3.60 0.00 0.00 1.04 -0.08 -1.26 -4.67 116.55 107.98 1c9f n ASP 54 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1c9f n ASP 54 Cb 0.53 0.16 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 -0.97 -0.21 3.86 0.27 0.00 -1.07 0.50 105.19 107.57 1c9f n GLY 55 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 4.46 -0.14 2.61 2.01 -0.96 -4.89 115.64 118.73 1c9f s THR 56 Ca 0.00 -1.31 -0.02 0.00 0.31 0.00 0.00 61.69 60.67 1c9f s THR 56 Cb 0.00 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1c9f s THR 56 CO 0.00 -0.32 -0.08 -1.83 -0.69 0.00 0.00 174.62 171.71 1c9f s GLU 57 N -3.90 3.49 0.27 4.92 4.04 -1.26 -0.13 118.70 126.13 1c9f s GLU 57 Ca 0.35 -0.59 -0.08 0.00 0.04 0.00 0.00 54.97 54.69 1c9f s GLU 57 Cb -0.08 -2.78 -0.01 0.00 0.02 0.00 0.00 34.13 31.29 1c9f s GLU 57 CO 0.26 0.26 0.42 0.08 -1.84 0.00 0.00 175.26 174.45 1c9f s VAL 58 N 0.26 0.00 0.25 1.83 1.01 0.21 -4.86 120.40 119.10 1c9f s VAL 58 Ca -0.06 -1.56 0.10 0.00 0.00 0.00 0.00 61.98 60.46 1c9f s VAL 58 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1c9f s VAL 58 CO 0.04 0.00 -0.08 0.42 0.00 0.00 0.00 175.10 175.48 1c9f s THR 59 N -3.71 3.13 -0.63 3.92 -4.23 -1.26 -1.62 115.64 111.23 1c9f s THR 59 Ca 0.28 -1.97 0.21 0.00 -1.18 0.00 0.00 61.69 59.03 1c9f s THR 59 Cb 0.01 -2.63 0.22 0.00 1.34 0.00 0.00 72.50 71.43 1c9f s THR 59 CO 0.13 -0.31 1.65 -0.90 -0.54 0.00 0.00 174.62 174.66 1c9f n ASP 60 N -0.57 0.49 -1.07 3.99 5.75 -1.26 -2.10 116.55 121.78 1c9f n ASP 60 Ca -0.07 0.62 0.11 0.00 -0.01 0.00 0.00 54.79 55.43 1c9f n ASP 60 Cb 0.58 -0.72 0.21 0.00 -1.03 0.00 0.00 41.12 40.16 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 -2.03 3.38 -0.05 -1.12 2.03 -1.26 -4.42 116.55 113.07 1c9f n ASP 61 Ca 0.03 -1.95 -0.06 0.00 0.52 0.00 0.00 54.79 53.32 1c9f n ASP 61 Cb 0.22 -0.27 -0.05 0.00 -0.72 0.00 0.00 41.12 40.30 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 -2.64 0.62 0.00 0.00 3.72 -1.12 -4.82 117.46 113.22 1c9f n PHE 63 Ca -0.16 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 1c9f n PHE 63 Cb 0.71 -2.38 0.00 0.00 -0.94 0.00 0.00 39.48 36.87 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 -3.31 -1.08 -0.04 -1.26 -4.80 135.00 132.96 1c9f n PRO 64 Ca 0.64 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.85 1c9f n PRO 64 Cb 0.04 -0.11 -0.07 0.00 -0.04 0.00 0.00 33.50 33.32 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 2.34 4.16 3.33 0.55 0.00 -1.26 -4.83 105.19 109.48 1c9f n GLY 65 Ca 0.00 -2.34 -0.33 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 0.97 -1.41 -4.73 0.99 4.77 -1.26 -4.94 117.00 111.39 1c9f n LEU 66 Ca 0.27 0.23 -0.29 0.00 -0.03 0.00 0.00 56.01 56.19 1c9f n LEU 66 Cb 0.46 -1.09 0.14 0.00 -2.33 0.00 0.00 43.42 40.60 1c9f n LEU 66 CO 0.32 -3.85 0.67 -2.16 -1.33 0.00 0.00 177.39 171.05 1c9f s PRO 67 N -3.35 1.11 0.67 3.23 0.04 -1.26 -4.82 135.00 130.63 1c9f s PRO 67 Ca 0.54 0.60 -0.17 0.00 0.04 0.00 0.00 61.00 62.01 1c9f s PRO 67 Cb -0.18 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1c9f s PRO 67 CO 0.69 -2.29 0.13 -1.71 0.04 0.00 0.00 177.00 173.86 1c9f n ASN 68 N -3.88 -2.67 -3.87 6.66 5.15 -1.26 -0.68 115.26 114.71 1c9f n ASN 68 Ca 0.06 0.57 -0.30 0.00 -0.60 0.00 0.00 54.58 54.31 1c9f n ASN 68 Cb 0.57 -1.03 -0.04 0.00 -0.53 0.00 0.00 39.78 38.75 1c9f n ASN 68 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1c9f n ASP 69 N 1.24 -2.52 -4.61 1.20 8.00 0.69 -4.68 116.55 115.87 1c9f n ASP 69 Ca 0.08 -0.71 -0.62 0.00 0.71 0.00 0.00 54.79 54.24 1c9f n ASP 69 Cb 0.50 -2.14 -0.09 0.00 -0.02 0.00 0.00 41.12 39.36 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 -3.76 -0.48 -2.60 2.24 0.00 0.14 -4.07 120.51 111.98 1c9f n ALA 70 Ca 0.06 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 1c9f n ALA 70 Cb 0.49 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 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 4.08 3.51 -0.05 0.00 2.02 -1.26 -0.93 118.70 126.07 1c9f s GLU 71 Ca 1.07 0.15 0.06 0.00 0.02 0.00 0.00 54.97 56.27 1c9f s GLU 71 Cb -1.32 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 28.90 1c9f s GLU 71 CO 0.71 -1.47 -0.22 -0.51 0.02 0.00 0.00 175.26 173.79 1c9f s LEU 72 N 4.32 2.26 -0.11 1.80 1.02 -0.93 -1.95 118.68 125.09 1c9f s LEU 72 Ca 0.39 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 54.15 1c9f s LEU 72 Cb -0.09 -1.42 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 1c9f s LEU 72 CO 0.25 0.29 -0.17 -0.22 0.02 0.00 0.00 176.35 176.53 1c9f s LEU 73 N -0.41 2.53 0.25 1.79 2.96 -0.78 -1.18 118.68 123.84 1c9f s LEU 73 Ca 0.04 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 1c9f s LEU 73 Cb -0.12 -1.54 -0.09 0.00 0.50 0.00 0.00 46.19 44.94 1c9f s LEU 73 CO 0.01 0.19 1.02 -0.22 -1.32 0.00 0.00 176.35 176.04 1c9f s LEU 74 N 0.17 4.59 0.18 -0.68 2.96 0.84 -1.94 118.68 124.80 1c9f s LEU 74 Ca -0.09 2.11 -0.17 0.00 -0.22 0.00 0.00 54.13 55.75 1c9f s LEU 74 Cb -0.16 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 42.95 1c9f s LEU 74 CO 0.06 -0.00 0.49 -0.22 -1.32 0.00 0.00 176.35 175.36 1c9f s LEU 75 N -1.25 0.15 0.21 -0.68 0.20 0.42 -3.01 118.68 114.71 1c9f s LEU 75 Ca 0.43 -0.45 -0.09 0.00 0.69 0.00 0.00 54.13 54.71 1c9f s LEU 75 Cb -0.29 2.06 -0.01 0.00 -0.43 0.00 0.00 46.19 47.52 1c9f s LEU 75 CO 0.36 -1.01 0.33 0.42 -0.29 0.00 0.00 176.35 176.17 1c9f s THR 76 N -3.86 0.02 0.60 3.68 -4.23 -1.25 -0.03 115.64 110.57 1c9f s THR 76 Ca 0.08 -1.52 0.28 0.00 -1.18 0.00 0.00 61.69 59.35 1c9f s THR 76 Cb -0.00 -2.13 0.38 0.00 1.34 0.00 0.00 72.50 72.09 1c9f s THR 76 CO -0.05 -0.11 1.74 0.00 -0.54 0.00 0.00 174.62 175.67 1c9f h ALA 77 N 2.44 2.36 -0.39 3.99 0.00 -1.82 1.86 119.26 127.70 1c9f h ALA 77 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1c9f h ALA 77 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1c9f h ALA 77 CO 0.44 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1c9f n GLY 78 N -1.55 1.77 3.30 0.00 0.00 -1.26 -4.87 105.19 102.58 1c9f n GLY 78 Ca 0.12 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.76 0.80 -0.05 1.61 2.12 0.63 -5.13 118.70 116.93 1c9f s GLU 79 Ca 0.31 -0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.36 1c9f s GLU 79 Cb 0.20 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.97 1c9f s GLU 79 CO 0.14 -0.24 0.20 0.95 -0.54 0.00 0.00 175.26 175.77 1c9f s THR 80 N -1.71 0.03 -0.10 -1.70 -4.23 -1.26 -3.93 115.64 102.74 1c9f s THR 80 Ca -0.10 -0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1c9f s THR 80 Cb -0.03 -0.38 -0.03 0.00 1.34 0.00 0.00 72.50 73.41 1c9f s THR 80 CO 0.03 -0.15 -0.08 0.86 -0.54 0.00 0.00 174.62 174.74 1c9f s TRP 81 N -0.52 2.92 0.00 3.99 -0.00 -1.26 -5.06 118.94 119.01 1c9f s TRP 81 Ca -0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 56.10 55.86 1c9f s TRP 81 Cb -0.04 -1.79 0.00 0.00 -0.00 0.00 0.00 33.47 31.64 1c9f s TRP 81 CO 0.01 0.14 0.03 0.72 -0.00 0.00 0.00 176.95 177.85 1c9f n HIS 82 N 2.76 0.00 0.00 5.86 8.25 -1.26 -5.00 115.22 125.84 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 0.53 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 2.30 2.76 3.80 -1.41 0.00 -1.25 -4.61 105.19 106.78 1c9f n GLY 83 Ca 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.72 3.56 0.94 1.61 5.04 0.18 -4.90 117.35 122.07 1c9f s TYR 84 Ca 0.00 1.61 -0.14 0.00 -2.44 0.00 0.00 57.07 56.10 1c9f s TYR 84 Cb 0.00 -2.81 0.19 0.00 0.35 0.00 0.00 41.96 39.69 1c9f s TYR 84 CO 0.00 0.15 1.29 0.14 -1.34 0.00 0.00 175.55 175.79 1c9f s VAL 85 N -1.77 2.01 -0.85 3.14 -7.23 -1.26 -4.65 120.40 109.80 1c9f s VAL 85 Ca 0.52 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1c9f s VAL 85 Cb -0.15 -2.95 0.21 0.00 0.56 0.00 0.00 36.38 34.04 1c9f s VAL 85 CO 0.20 0.00 0.71 -0.24 -0.31 0.00 0.00 175.10 175.46 1c9f n SER 86 N -3.67 3.88 0.00 4.85 2.88 -1.26 -5.00 113.62 115.29 1c9f n SER 86 Ca 0.15 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1c9f n SER 86 Cb 0.60 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1c9f n SER 86 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28