#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ctl n ALA 2 N 0.00 -0.48 -3.69 3.17 0.00 -1.26 -4.89 120.51 113.36 1ctl n ALA 2 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1ctl n ALA 2 Cb 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.17 1ctl n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ctl s GLN 3 N -0.29 0.32 -0.01 0.00 0.74 -1.26 -5.05 119.66 114.10 1ctl s GLN 3 Ca 0.00 0.80 -0.00 0.00 0.05 0.00 0.00 55.36 56.20 1ctl s GLN 3 Cb 0.00 0.03 -0.01 0.00 1.10 0.00 0.00 33.01 34.14 1ctl s GLN 3 CO 0.00 -0.19 -0.02 1.17 -0.55 0.00 0.00 175.29 175.70 1ctl n LYS 4 N 4.60 0.03 -0.09 1.67 3.00 -1.26 -4.89 118.16 121.21 1ctl n LYS 4 Ca -0.19 0.01 -0.23 0.00 -0.00 0.00 0.00 58.31 57.91 1ctl n LYS 4 Cb 0.53 -0.74 -0.12 0.00 0.00 0.00 0.00 35.03 34.70 1ctl n LYS 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1ctl n VAL 5 N -2.85 1.56 0.00 3.15 0.24 -1.26 -5.12 118.33 114.05 1ctl n VAL 5 Ca -0.03 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1ctl n VAL 5 Cb 0.52 -1.99 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 1ctl n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ctl n GLY 6 N 1.49 1.36 0.00 7.63 0.00 -1.26 -5.11 105.19 109.30 1ctl n GLY 6 Ca -0.34 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.40 1ctl n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctl n GLY 7 N -1.01 0.93 3.28 -0.02 0.00 -1.26 -5.14 105.19 101.96 1ctl n GLY 7 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1ctl n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ctl s SER 8 N 0.00 1.22 -0.09 1.61 1.04 -1.26 -5.01 113.70 111.22 1ctl s SER 8 Ca 0.00 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 54.83 1ctl s SER 8 Cb 0.00 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1ctl s SER 8 CO 0.00 -0.95 -0.07 -0.62 0.98 0.00 0.00 173.24 172.58 1ctl s ASP 9 N -3.32 1.82 0.50 7.02 2.15 -0.96 -5.00 116.67 118.90 1ctl s ASP 9 Ca 0.38 -0.24 0.03 0.00 0.43 0.00 0.00 52.55 53.15 1ctl s ASP 9 Cb 0.04 -0.72 -0.01 0.00 -0.30 0.00 0.00 42.92 41.93 1ctl s ASP 9 CO 0.20 -0.09 0.08 -0.83 -0.17 0.00 0.00 175.17 174.36 1ctl s GLY 10 N 1.41 2.84 -0.29 2.66 0.00 -1.26 -0.52 107.32 112.15 1ctl s GLY 10 Ca -0.02 -0.76 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 1ctl s GLY 10 CO -0.04 -2.13 0.06 0.00 0.00 0.00 0.00 173.10 170.99 1ctl h PRO 12 N 8.02 0.00 0.00 0.00 0.14 -1.83 -1.52 132.00 136.81 1ctl h PRO 12 Ca -0.13 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.01 1ctl h PRO 12 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.17 1ctl h PRO 12 CO 0.46 0.00 -0.06 -0.09 0.14 0.00 0.00 178.00 178.44 1ctl h ARG 13 N 0.00 0.00 0.07 0.86 1.12 -1.92 -3.41 114.38 111.10 1ctl h ARG 13 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.55 1ctl h ARG 13 Cb 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.05 1ctl h ARG 13 CO 0.00 0.00 -1.78 0.00 -3.11 0.00 0.00 179.97 175.08 1ctl n GLY 15 N 1.74 1.22 3.61 0.00 0.00 -0.57 -5.11 105.19 106.08 1ctl n GLY 15 Ca -0.22 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1ctl n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ctl s GLN 16 N 0.00 -0.03 0.05 1.61 -0.21 -1.24 -4.67 119.66 115.17 1ctl s GLN 16 Ca 0.00 0.67 0.07 0.00 0.02 0.00 0.00 55.36 56.11 1ctl s GLN 16 Cb 0.00 -1.67 -0.03 0.00 1.00 0.00 0.00 33.01 32.31 1ctl s GLN 16 CO 0.00 -3.08 -0.18 0.00 -2.12 0.00 0.00 175.29 169.90 1ctl s ALA 17 N -2.77 1.56 0.07 6.09 0.00 -1.26 -0.37 121.76 125.08 1ctl s ALA 17 Ca 0.66 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1ctl s ALA 17 Cb -0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1ctl s ALA 17 CO 0.60 0.33 -0.01 0.08 0.00 0.00 0.00 175.76 176.76 1ctl s VAL 18 N -0.87 3.95 0.00 0.00 1.01 0.32 -4.95 120.40 119.86 1ctl s VAL 18 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1ctl s VAL 18 Cb -0.09 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1ctl s VAL 18 CO 0.02 0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1ctl n TYR 19 N 0.75 0.00 0.08 5.22 9.36 -1.26 -2.25 117.16 129.05 1ctl n TYR 19 Ca -0.12 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.13 1ctl n TYR 19 Cb 0.52 0.08 0.14 0.00 -0.63 0.00 0.00 39.34 39.45 1ctl n TYR 19 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ctl n ALA 20 N -2.57 1.07 -2.58 2.98 0.00 -1.26 -4.89 120.51 113.26 1ctl n ALA 20 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ctl n ALA 20 Cb 0.36 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1ctl n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ctl n ALA 21 N -1.56 -3.53 -1.47 0.00 0.00 -1.26 -4.95 120.51 107.75 1ctl n ALA 21 Ca 0.00 1.03 -0.20 0.00 0.00 0.00 0.00 53.44 54.26 1ctl n ALA 21 Cb 0.02 -2.02 0.13 0.00 0.00 0.00 0.00 19.45 17.59 1ctl n ALA 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ctl n GLU 22 N 0.94 2.45 -2.96 0.00 -0.58 -1.26 -5.04 120.64 114.20 1ctl n GLU 22 Ca -0.12 -3.34 -0.41 0.00 -0.42 0.00 0.00 57.16 52.86 1ctl n GLU 22 Cb 0.19 -2.10 -0.05 0.00 -0.57 0.00 0.00 31.44 28.91 1ctl n GLU 22 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1ctl s LYS 23 N -3.48 4.29 0.59 3.49 -2.85 -1.26 0.13 119.74 120.66 1ctl s LYS 23 Ca 0.54 0.91 0.06 0.00 -1.00 0.00 0.00 55.97 56.48 1ctl s LYS 23 Cb 0.45 -3.56 0.08 0.00 -2.06 0.00 0.00 37.83 32.74 1ctl s LYS 23 CO 0.03 -0.28 0.81 0.14 0.10 0.00 0.00 175.35 176.16 1ctl s VAL 24 N 1.98 2.31 -0.05 1.79 -7.23 -0.90 -4.92 120.40 113.39 1ctl s VAL 24 Ca 0.36 -0.86 -0.08 0.00 -1.81 0.00 0.00 61.98 59.59 1ctl s VAL 24 Cb -0.16 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1ctl s VAL 24 CO 0.12 0.00 0.20 0.27 -0.31 0.00 0.00 175.10 175.39 1ctl s ILE 25 N -2.76 0.03 -0.30 -0.62 -0.00 -1.26 -2.00 121.20 114.29 1ctl s ILE 25 Ca 0.62 -0.22 -0.17 0.00 -0.00 0.00 0.00 60.65 60.88 1ctl s ILE 25 Cb -0.07 -0.37 0.20 0.00 -0.00 0.00 0.00 42.46 42.22 1ctl s ILE 25 CO 0.40 -0.12 1.21 -0.83 -0.00 0.00 0.00 174.94 175.59 1ctl s GLY 26 N -0.41 0.44 -1.39 6.27 0.00 -0.73 -4.98 107.32 106.51 1ctl s GLY 26 Ca -0.05 3.67 -0.06 0.00 0.00 0.00 0.00 44.72 48.28 1ctl s GLY 26 CO 0.01 2.89 0.75 0.00 0.00 0.00 0.00 173.10 176.75 1ctl n ALA 27 N 3.56 -1.01 0.00 3.20 0.00 -1.26 -1.83 120.51 123.17 1ctl n ALA 27 Ca -0.15 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1ctl n ALA 27 Cb 0.56 -4.18 0.00 0.00 0.00 0.00 0.00 19.45 15.83 1ctl n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ctl n GLY 28 N -1.62 3.34 3.72 0.00 0.00 -1.26 -4.76 105.19 104.61 1ctl n GLY 28 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1ctl n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ctl s LYS 29 N -0.69 4.44 -0.29 1.61 1.02 -0.76 -5.05 119.74 120.01 1ctl s LYS 29 Ca 0.00 0.88 -0.09 0.00 0.02 0.00 0.00 55.97 56.78 1ctl s LYS 29 Cb 0.00 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1ctl s LYS 29 CO 0.00 0.09 0.14 0.45 -0.92 0.00 0.00 175.35 175.11 1ctl s SER 30 N 0.71 5.56 0.19 2.83 0.15 -1.26 -1.78 113.70 120.10 1ctl s SER 30 Ca 0.37 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.66 1ctl s SER 30 Cb -0.18 -2.01 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1ctl s SER 30 CO 0.18 -0.14 0.10 0.79 1.20 0.00 0.00 173.24 175.37 1ctl n TRP 31 N 4.99 -0.67 -3.60 3.44 7.02 -0.85 -3.99 117.44 123.77 1ctl n TRP 31 Ca -0.14 -0.85 -0.25 0.00 -1.02 0.00 0.00 57.50 55.24 1ctl n TRP 31 Cb 0.50 -0.15 -0.02 0.00 -2.42 0.00 0.00 31.31 29.22 1ctl n TRP 31 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1ctl s HIS 32 N -1.18 3.48 -0.01 -5.99 3.76 -1.26 -2.11 115.29 111.98 1ctl s HIS 32 Ca 0.07 0.32 0.27 0.00 -0.15 0.00 0.00 55.06 55.57 1ctl s HIS 32 Cb -0.01 -1.85 1.45 0.00 1.11 0.00 0.00 32.58 33.29 1ctl s HIS 32 CO 0.05 0.28 1.82 -0.22 -0.85 0.00 0.00 174.74 175.83 1ctl h LYS 33 N 1.44 0.00 0.00 1.40 3.64 -0.67 -0.18 116.57 122.19 1ctl h LYS 33 Ca -0.49 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.72 1ctl h LYS 33 Cb 1.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1ctl h LYS 33 CO 0.65 0.00 -1.84 -1.13 -2.27 0.00 0.00 179.45 174.86 1ctl n SER 34 N -2.44 1.72 0.09 4.20 3.41 -1.26 -4.35 113.62 114.99 1ctl n SER 34 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 1ctl n SER 34 Cb 0.05 1.07 0.11 0.00 -0.26 0.00 0.00 64.21 65.17 1ctl n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ctl s PHE 36 N -3.25 1.13 -0.06 0.00 2.19 -0.16 -4.88 117.98 112.96 1ctl s PHE 36 Ca 0.04 1.74 0.01 0.00 0.33 0.00 0.00 56.93 59.04 1ctl s PHE 36 Cb 0.11 -3.53 0.02 0.00 -1.31 0.00 0.00 43.02 38.31 1ctl s PHE 36 CO 0.74 -2.05 -0.05 -0.98 1.83 0.00 0.00 175.22 174.71 1ctl s ARG 37 N 8.52 1.01 -0.18 10.12 1.70 -1.26 -2.19 118.95 136.67 1ctl s ARG 37 Ca 0.94 -0.13 -0.28 0.00 -0.47 0.00 0.00 55.73 55.78 1ctl s ARG 37 Cb -0.15 -1.04 -0.06 0.00 -0.57 0.00 0.00 34.95 33.13 1ctl s ARG 37 CO 0.17 -0.13 2.17 0.00 -1.08 0.00 0.00 175.30 176.43 1ctl n ALA 39 N 10.98 5.84 0.00 0.00 0.00 -1.25 -0.93 120.51 135.16 1ctl n ALA 39 Ca 0.28 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 51.02 1ctl n ALA 39 Cb 0.44 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1ctl n ALA 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ctl n LYS 40 N -0.26 0.00 -0.04 0.00 0.00 -1.26 -4.77 118.16 111.82 1ctl n LYS 40 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.76 1ctl n LYS 40 Cb 0.60 -0.72 -0.09 0.00 0.00 0.00 0.00 35.03 34.81 1ctl n LYS 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ctl n GLY 42 N 2.15 0.95 3.89 0.00 0.00 -0.10 -5.10 105.19 106.99 1ctl n GLY 42 Ca -0.15 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1ctl n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ctl s LYS 43 N -0.26 3.54 0.32 1.61 2.20 -1.19 -4.93 119.74 121.04 1ctl s LYS 43 Ca 0.00 -0.16 -0.25 0.00 -0.36 0.00 0.00 55.97 55.20 1ctl s LYS 43 Cb 0.00 -3.05 -0.10 0.00 -1.51 0.00 0.00 37.83 33.17 1ctl s LYS 43 CO 0.00 0.63 0.92 -1.12 -0.36 0.00 0.00 175.35 175.42 1ctl s SER 44 N -1.90 7.25 0.18 1.43 0.01 -1.26 -1.32 113.70 118.09 1ctl s SER 44 Ca 0.30 1.76 -0.22 0.00 1.31 0.00 0.00 55.95 59.09 1ctl s SER 44 Cb -0.13 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.63 1ctl s SER 44 CO 0.19 -0.09 1.05 -1.48 0.41 0.00 0.00 173.24 173.31 1ctl s LEU 45 N -2.19 0.01 0.00 2.44 0.05 -0.93 -4.89 118.68 113.17 1ctl s LEU 45 Ca 0.51 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 54.02 1ctl s LEU 45 Cb -0.17 2.07 0.00 0.00 -2.05 0.00 0.00 46.19 46.03 1ctl s LEU 45 CO 0.22 -0.98 0.00 -1.84 -0.55 0.00 0.00 176.35 173.20 1ctl n GLU 46 N -0.71 0.00 0.00 1.48 -0.00 -1.26 -4.28 120.64 115.86 1ctl n GLU 46 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 1ctl n GLU 46 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.03 1ctl n GLU 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ctl n SER 47 N 0.00 0.00 -2.74 -1.84 7.64 -1.26 -3.30 113.62 112.12 1ctl n SER 47 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1ctl n SER 47 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1ctl n SER 47 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ctl n THR 48 N 0.00 1.33 -2.60 0.44 5.66 -1.26 -4.80 114.28 113.05 1ctl n THR 48 Ca 0.00 -3.08 -0.01 0.00 -3.05 0.00 0.00 64.05 57.91 1ctl n THR 48 Cb 0.00 0.96 0.08 0.00 -1.55 0.00 0.00 70.33 69.82 1ctl n THR 48 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1ctl n THR 49 N -0.51 0.00 -4.31 1.09 -2.24 -1.21 -5.02 114.28 102.09 1ctl n THR 49 Ca 0.11 -0.60 -0.16 0.00 -2.27 0.00 0.00 64.05 61.12 1ctl n THR 49 Cb 0.81 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 1ctl n THR 49 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1ctl s LEU 50 N -2.46 1.90 -0.29 3.22 0.05 -1.26 0.58 118.68 120.41 1ctl s LEU 50 Ca 0.05 -1.30 0.02 0.00 0.05 0.00 0.00 54.13 52.95 1ctl s LEU 50 Cb 0.27 -0.08 0.19 0.00 -2.05 0.00 0.00 46.19 44.52 1ctl s LEU 50 CO -0.08 -0.64 0.64 0.00 -0.55 0.00 0.00 176.35 175.73 1ctl s ALA 51 N -3.63 -2.51 0.87 1.48 0.00 -0.26 -4.40 121.76 113.30 1ctl s ALA 51 Ca 0.33 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 1ctl s ALA 51 Cb 0.07 -2.44 0.12 0.00 0.00 0.00 0.00 23.12 20.86 1ctl s ALA 51 CO 0.10 -1.68 1.13 0.16 0.00 0.00 0.00 175.76 175.48 1ctl s ASP 52 N 2.85 3.85 -0.30 0.00 -4.77 -1.26 -1.60 116.67 115.45 1ctl s ASP 52 Ca 0.14 1.02 -0.09 0.00 -3.30 0.00 0.00 52.55 50.32 1ctl s ASP 52 Cb -0.11 -1.62 0.19 0.00 -1.09 0.00 0.00 42.92 40.29 1ctl s ASP 52 CO -0.24 -2.34 0.97 -0.75 0.70 0.00 0.00 175.17 173.52 1ctl s LYS 53 N -5.29 0.21 -2.02 2.11 2.36 0.19 -4.81 119.74 112.50 1ctl s LYS 53 Ca 0.63 0.22 0.00 0.00 -2.55 0.00 0.00 55.97 54.27 1ctl s LYS 53 Cb -0.14 0.10 0.00 0.00 -1.05 0.00 0.00 37.83 36.74 1ctl s LYS 53 CO 0.53 -0.38 0.00 -0.25 1.55 0.00 0.00 175.35 176.80 1ctl n ASP 54 N 5.18 -5.44 0.00 1.43 8.00 -1.26 -1.88 116.55 122.59 1ctl n ASP 54 Ca 0.07 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1ctl n ASP 54 Cb 0.57 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ctl n GLY 55 N -0.43 1.09 3.90 0.44 0.00 -1.26 -5.07 105.19 103.85 1ctl n GLY 55 Ca -0.19 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1ctl n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ctl s GLU 56 N 0.00 2.90 -0.13 1.61 -1.05 -0.78 -5.01 118.70 116.23 1ctl s GLU 56 Ca 0.00 -1.16 -0.07 0.00 -0.15 0.00 0.00 54.97 53.59 1ctl s GLU 56 Cb 0.00 -2.61 0.05 0.00 -0.44 0.00 0.00 34.13 31.13 1ctl s GLU 56 CO 0.00 0.12 0.32 0.96 0.95 0.00 0.00 175.26 177.61 1ctl s ILE 57 N -2.24 -0.03 0.27 1.83 -4.36 -1.26 0.57 121.20 115.98 1ctl s ILE 57 Ca 0.41 0.13 0.01 0.00 -0.26 0.00 0.00 60.65 60.94 1ctl s ILE 57 Cb -0.07 -0.48 -0.00 0.00 1.25 0.00 0.00 42.46 43.16 1ctl s ILE 57 CO 0.28 0.05 0.05 0.00 0.24 0.00 0.00 174.94 175.56 1ctl n TYR 58 N 4.25 0.37 -4.23 1.37 4.11 -0.63 -3.74 117.16 118.66 1ctl n TYR 58 Ca -0.25 -1.52 -0.26 0.00 -0.00 0.00 0.00 57.90 55.87 1ctl n TYR 58 Cb 0.54 -0.09 -0.08 0.00 -0.00 0.00 0.00 39.34 39.71 1ctl n TYR 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ctl n LYS 60 N -0.18 0.17 0.00 0.00 3.00 0.20 -1.49 118.16 119.87 1ctl n LYS 60 Ca -0.10 0.37 0.03 0.00 -0.00 0.00 0.00 58.31 58.62 1ctl n LYS 60 Cb 0.56 -1.81 0.14 0.00 0.00 0.00 0.00 35.03 33.91 1ctl n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ctl n GLY 61 N 0.16 -0.64 0.59 3.14 0.00 -1.20 -1.13 105.19 106.12 1ctl n GLY 61 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1ctl n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl n TYR 63 N -2.96 0.75 -0.01 0.00 9.36 -0.93 -0.71 117.16 122.66 1ctl n TYR 63 Ca -0.06 0.39 -0.01 0.00 3.32 0.00 0.00 57.90 61.54 1ctl n TYR 63 Cb 0.55 -1.12 -0.00 0.00 -0.63 0.00 0.00 39.34 38.14 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ctl n ALA 64 N -1.78 0.08 0.28 2.98 0.00 -0.28 -4.04 120.51 117.75 1ctl n ALA 64 Ca -0.01 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.37 1ctl n ALA 64 Cb 0.04 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.32 1ctl n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ctl h LYS 65 N -0.18 0.00 0.00 0.00 1.79 -0.98 -1.95 116.57 115.26 1ctl h LYS 65 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ctl h LYS 65 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1ctl h LYS 65 CO 0.00 0.03 -1.16 -1.71 -1.08 0.00 0.00 179.45 175.54 1ctl n ASN 66 N -3.91 0.67 -0.98 0.86 5.15 0.11 -4.24 115.26 112.92 1ctl n ASN 66 Ca -0.03 0.21 -0.01 0.00 -0.60 0.00 0.00 54.58 54.15 1ctl n ASN 66 Cb 0.12 0.74 0.20 0.00 -0.53 0.00 0.00 39.78 40.31 1ctl n ASN 66 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ctl n PHE 67 N -2.50 0.74 -3.28 1.20 3.72 -0.74 -4.73 117.46 111.87 1ctl n PHE 67 Ca -0.00 -1.56 -0.26 0.00 -0.05 0.00 0.00 57.45 55.57 1ctl n PHE 67 Cb 0.54 -0.41 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 1ctl n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ctl n GLY 68 N -1.12 4.74 3.53 1.37 0.00 -1.20 -5.01 105.19 107.49 1ctl n GLY 68 Ca 0.29 -2.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 1ctl n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ctl n PRO 69 N 0.65 1.24 -3.06 1.61 -0.04 -1.26 -4.88 135.00 129.27 1ctl n PRO 69 Ca 0.29 0.25 -0.45 0.00 -0.04 0.00 0.00 63.50 63.56 1ctl n PRO 69 Cb 0.43 -2.90 -0.02 0.00 -0.04 0.00 0.00 33.50 30.97 1ctl n PRO 69 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ctl s LYS 70 N 7.10 3.77 7.86 0.54 2.20 -1.26 -4.97 119.74 134.99 1ctl s LYS 70 Ca 1.06 -2.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.43 1ctl s LYS 70 Cb -0.54 -4.81 0.00 0.00 -1.51 0.00 0.00 37.83 30.97 1ctl s LYS 70 CO 0.38 -1.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.17 1ctl n GLY 71 N 4.58 3.52 3.38 5.54 0.00 -1.26 -4.66 105.19 116.29 1ctl n GLY 71 Ca 0.25 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1ctl n GLY 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ctl s PHE 72 N 0.00 -0.51 -0.66 1.61 -0.12 -1.26 -5.07 117.98 111.97 1ctl s PHE 72 Ca 0.00 1.21 -0.03 0.00 -0.05 0.00 0.00 56.93 58.07 1ctl s PHE 72 Cb 0.00 0.19 0.21 0.00 -0.63 0.00 0.00 43.02 42.78 1ctl s PHE 72 CO 0.00 -0.28 2.40 0.41 -0.05 0.00 0.00 175.22 177.69 1ctl n GLY 73 N 2.60 4.95 2.71 1.99 0.00 -1.26 -4.72 105.19 111.46 1ctl n GLY 73 Ca -0.14 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.39 1ctl n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ctl s PHE 74 N -2.89 1.63 0.00 1.61 5.36 -1.26 -5.10 117.98 117.33 1ctl s PHE 74 Ca 0.55 -1.75 0.00 0.00 -0.96 0.00 0.00 56.93 54.77 1ctl s PHE 74 Cb 0.41 -1.66 0.00 0.00 -0.34 0.00 0.00 43.02 41.42 1ctl s PHE 74 CO -0.32 -0.87 0.00 0.41 -1.46 0.00 0.00 175.22 172.99 1ctl n GLY 75 N 4.72 5.77 2.10 13.12 0.00 -1.26 -5.09 105.19 124.54 1ctl n GLY 75 Ca -0.01 -1.57 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 1ctl n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ctl n GLN 76 N 0.00 -2.42 -0.42 1.61 -0.06 -1.26 -5.03 117.38 109.79 1ctl n GLN 76 Ca 0.00 2.06 0.00 0.00 -2.00 0.00 0.00 57.00 57.06 1ctl n GLN 76 Cb 0.00 -3.23 0.00 0.00 -4.06 0.00 0.00 30.24 22.95 1ctl n GLN 76 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ctl n GLY 77 N 0.85 0.86 0.50 1.69 0.00 -1.26 -4.92 105.19 102.90 1ctl n GLY 77 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1ctl n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl n ALA 78 N 0.00 2.20 -2.62 4.61 0.00 -1.26 -4.94 120.51 118.50 1ctl n ALA 78 Ca 0.00 -0.39 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 1ctl n ALA 78 Cb 0.43 0.35 -0.08 0.00 0.00 0.00 0.00 19.45 20.15 1ctl n ALA 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ctl s GLY 79 N -5.09 1.89 0.67 0.00 0.00 -1.26 -5.04 107.32 98.48 1ctl s GLY 79 Ca -0.13 -0.61 -0.15 0.00 0.00 0.00 0.00 44.72 43.82 1ctl s GLY 79 CO 0.18 1.15 1.12 0.00 0.00 0.00 0.00 173.10 175.56 1ctl s ALA 80 N 2.14 2.42 -0.38 3.20 0.00 -1.26 -4.95 121.76 122.94 1ctl s ALA 80 Ca 0.20 0.59 0.23 0.00 0.00 0.00 0.00 51.96 52.99 1ctl s ALA 80 Cb -0.16 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.76 1ctl s ALA 80 CO 0.09 -1.35 1.18 -0.07 0.00 0.00 0.00 175.76 175.61 1ctl h LEU 81 N -0.00 0.00 -1.89 0.00 4.07 -1.96 -3.49 115.31 112.05 1ctl h LEU 81 Ca -0.47 -0.06 -0.35 0.00 0.08 0.00 0.00 57.88 57.08 1ctl h LEU 81 Cb 1.25 0.00 0.14 0.00 1.08 0.00 0.00 40.66 43.13 1ctl h LEU 81 CO 0.53 0.03 -0.81 2.30 -1.08 0.00 0.00 178.44 179.42 1ctl n ILE 82 N -2.55 -6.03 0.00 1.22 -5.35 -1.26 -4.93 119.36 100.45 1ctl n ILE 82 Ca 0.01 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1ctl n ILE 82 Cb 0.51 -4.84 0.00 0.00 -1.74 0.00 0.00 39.64 33.58 1ctl n ILE 82 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1ctl n HIS 83 N -4.04 0.00 0.00 4.28 -0.00 -1.26 -4.90 115.22 109.31 1ctl n HIS 83 Ca -0.25 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.93 1ctl n HIS 83 Cb 0.66 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1ctl n HIS 83 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ctl n SER 84 N -1.69 0.00 0.00 0.26 7.64 -1.26 -5.32 113.62 113.25 1ctl n SER 84 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ctl n SER 84 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ctl n SER 84 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70