#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ctl s ALA 2 N 0.00 -1.70 0.34 3.04 0.00 -1.26 -5.16 121.76 117.02 1ctl s ALA 2 Ca 0.00 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 1ctl s ALA 2 Cb 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 23.12 23.54 1ctl s ALA 2 CO 0.00 -0.64 0.75 -0.65 0.00 0.00 0.00 175.76 175.22 1ctl s GLN 3 N -2.90 3.95 0.07 0.00 -1.52 -1.26 -5.02 119.66 112.98 1ctl s GLN 3 Ca -0.01 0.62 -0.31 0.00 -1.95 0.00 0.00 55.36 53.72 1ctl s GLN 3 Cb -0.01 -2.42 -0.07 0.00 -0.22 0.00 0.00 33.01 30.30 1ctl s GLN 3 CO -0.06 0.11 1.36 0.21 -0.25 0.00 0.00 175.29 176.65 1ctl s LYS 4 N -3.20 4.33 -0.02 2.91 2.36 -1.26 -5.00 119.74 119.86 1ctl s LYS 4 Ca 0.54 1.99 0.03 0.00 -2.55 0.00 0.00 55.97 55.97 1ctl s LYS 4 Cb -0.10 -3.36 -0.03 0.00 -1.05 0.00 0.00 37.83 33.29 1ctl s LYS 4 CO 0.21 -0.44 -0.08 0.14 1.55 0.00 0.00 175.35 176.73 1ctl s VAL 5 N 1.47 3.59 0.21 4.02 -7.23 -1.26 -5.14 120.40 116.06 1ctl s VAL 5 Ca 0.63 -0.71 0.05 0.00 -1.81 0.00 0.00 61.98 60.15 1ctl s VAL 5 Cb -0.34 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 1ctl s VAL 5 CO 0.29 0.46 -0.07 -0.83 -0.31 0.00 0.00 175.10 174.64 1ctl s GLY 6 N -1.20 1.45 0.00 2.32 0.00 -1.26 -4.99 107.32 103.64 1ctl s GLY 6 Ca 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.18 1ctl s GLY 6 CO 0.05 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.06 1ctl n GLY 7 N -0.38 1.04 1.45 0.20 0.00 -1.26 -4.85 105.19 101.39 1ctl n GLY 7 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1ctl n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ctl n SER 8 N 0.00 0.00 -3.67 1.61 2.88 -1.09 -4.89 113.62 108.46 1ctl n SER 8 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1ctl n SER 8 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1ctl n SER 8 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ctl s ASP 9 N -2.64 -0.53 0.52 -3.46 2.15 -0.96 -4.90 116.67 106.85 1ctl s ASP 9 Ca 0.00 1.09 0.04 0.00 0.43 0.00 0.00 52.55 54.11 1ctl s ASP 9 Cb 0.00 1.25 0.04 0.00 -0.30 0.00 0.00 42.92 43.91 1ctl s ASP 9 CO 0.00 -0.22 0.33 0.61 -0.17 0.00 0.00 175.17 175.72 1ctl n GLY 10 N 4.86 2.89 2.98 2.66 0.00 -1.26 -1.47 105.19 115.84 1ctl n GLY 10 Ca -0.16 -2.31 -0.31 0.00 0.00 0.00 0.00 46.02 43.25 1ctl n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl h PRO 12 N 7.83 0.00 0.00 0.00 0.13 -1.80 -1.44 132.00 136.73 1ctl h PRO 12 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1ctl h PRO 12 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1ctl h PRO 12 CO 0.46 0.00 -0.07 -0.09 -0.23 0.00 0.00 178.00 178.07 1ctl h ARG 13 N 0.00 0.00 0.00 0.86 1.12 -1.89 -3.40 114.38 111.07 1ctl h ARG 13 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.79 1ctl h ARG 13 Cb 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 1ctl h ARG 13 CO 0.00 0.00 -1.07 0.00 -3.11 0.00 0.00 179.97 175.79 1ctl n GLY 15 N 1.27 2.63 3.57 0.00 0.00 -0.54 -5.07 105.19 107.04 1ctl n GLY 15 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.67 -0.58 -0.03 1.61 -0.21 -1.25 -4.75 119.66 113.79 1ctl s GLN 16 Ca 0.00 0.48 -0.05 0.00 0.02 0.00 0.00 55.36 55.82 1ctl s GLN 16 Cb 0.00 -1.62 0.01 0.00 1.00 0.00 0.00 33.01 32.39 1ctl s GLN 16 CO 0.00 -3.40 0.12 0.00 -2.12 0.00 0.00 175.29 169.89 1ctl s ALA 17 N -2.76 -0.29 0.29 6.09 0.00 -1.26 -0.07 121.76 123.77 1ctl s ALA 17 Ca 0.67 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1ctl s ALA 17 Cb -0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1ctl s ALA 17 CO 0.60 -0.11 0.47 0.08 0.00 0.00 0.00 175.76 176.81 1ctl s VAL 18 N -0.43 5.16 -0.47 0.00 1.01 -0.54 -4.89 120.40 120.23 1ctl s VAL 18 Ca -0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1ctl s VAL 18 Cb -0.03 -3.83 0.35 0.00 0.00 0.00 0.00 36.38 32.86 1ctl s VAL 18 CO 0.00 -0.42 1.99 0.00 0.00 0.00 0.00 175.10 176.67 1ctl n TYR 19 N -1.43 2.34 -2.95 5.22 9.36 -1.26 -2.27 117.16 126.16 1ctl n TYR 19 Ca -0.06 -2.37 -0.03 0.00 3.32 0.00 0.00 57.90 58.76 1ctl n TYR 19 Cb 0.56 -1.15 0.01 0.00 -0.63 0.00 0.00 39.34 38.13 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 -0.31 -2.39 0.05 2.98 0.00 -1.26 -4.78 120.51 114.80 1ctl n ALA 20 Ca 0.46 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ctl n ALA 20 Cb 0.70 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.99 3.00 -1.16 0.00 0.00 -1.26 -4.97 120.51 114.12 1ctl n ALA 21 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1ctl n ALA 21 Cb 0.52 0.08 0.05 0.00 0.00 0.00 0.00 19.45 20.10 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 -3.06 0.98 -3.33 0.00 1.02 -1.26 -5.04 120.64 109.95 1ctl n GLU 22 Ca 0.00 -1.57 -0.25 0.00 -0.02 0.00 0.00 57.16 55.32 1ctl n GLU 22 Cb 0.00 -0.94 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 1ctl n GLU 22 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1ctl s LYS 23 N -1.20 3.52 0.31 3.49 0.00 -1.26 0.98 119.74 125.58 1ctl s LYS 23 Ca 0.11 -0.23 -0.18 0.00 0.00 0.00 0.00 55.97 55.67 1ctl s LYS 23 Cb 0.10 -2.65 0.03 0.00 0.00 0.00 0.00 37.83 35.31 1ctl s LYS 23 CO 0.01 0.15 0.72 0.54 0.00 0.00 0.00 175.35 176.76 1ctl s VAL 24 N -2.28 0.00 -0.05 1.79 0.11 0.18 -4.79 120.40 115.35 1ctl s VAL 24 Ca 0.41 -1.05 -0.06 0.00 -2.93 0.00 0.00 61.98 58.35 1ctl s VAL 24 Cb -0.10 -2.33 0.01 0.00 -1.53 0.00 0.00 36.38 32.44 1ctl s VAL 24 CO 0.35 0.00 0.16 -0.51 -3.33 0.00 0.00 175.10 171.77 1ctl s ILE 25 N -3.37 0.01 -0.23 7.04 1.10 -1.26 -2.03 121.20 122.46 1ctl s ILE 25 Ca 0.14 -0.06 -0.17 0.00 -0.51 0.00 0.00 60.65 60.05 1ctl s ILE 25 Cb -0.05 -0.24 0.07 0.00 0.15 0.00 0.00 42.46 42.38 1ctl s ILE 25 CO 0.09 -0.03 0.59 -0.83 -2.11 0.00 0.00 174.94 172.65 1ctl s GLY 26 N -0.03 -0.49 0.00 1.50 0.00 -0.66 -5.00 107.32 102.64 1ctl s GLY 26 Ca -0.01 1.90 0.00 0.00 0.00 0.00 0.00 44.72 46.61 1ctl s GLY 26 CO 0.00 1.81 0.00 0.00 0.00 0.00 0.00 173.10 174.92 1ctl n ALA 27 N 3.55 0.00 -2.69 3.20 0.00 -1.26 -0.98 120.51 122.33 1ctl n ALA 27 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 1ctl n ALA 27 Cb 0.57 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 1.49 3.10 0.00 0.00 -1.26 -4.98 105.19 103.55 1ctl n GLY 28 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.82 0.45 -0.01 1.61 3.01 -0.15 -5.10 119.74 118.73 1ctl s LYS 29 Ca 0.22 -0.31 0.01 0.00 -1.01 0.00 0.00 55.97 54.88 1ctl s LYS 29 Cb 0.42 0.19 -0.04 0.00 -1.01 0.00 0.00 37.83 37.39 1ctl s LYS 29 CO -0.06 -0.11 -0.01 0.45 0.51 0.00 0.00 175.35 176.14 1ctl s SER 30 N -1.19 5.08 0.27 2.83 0.15 -1.26 -1.65 113.70 117.92 1ctl s SER 30 Ca -0.13 -0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.44 1ctl s SER 30 Cb -0.07 -1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 62.91 1ctl s SER 30 CO 0.01 0.29 0.40 0.26 1.20 0.00 0.00 173.24 175.40 1ctl s TRP 31 N -1.06 0.76 0.30 3.44 0.52 -0.86 -3.91 118.94 118.13 1ctl s TRP 31 Ca 0.19 -1.05 -0.03 0.00 0.02 0.00 0.00 56.10 55.23 1ctl s TRP 31 Cb -0.11 -0.07 -0.05 0.00 -1.15 0.00 0.00 33.47 32.09 1ctl s TRP 31 CO 0.09 -0.96 0.55 -1.01 0.02 0.00 0.00 176.95 175.64 1ctl s HIS 32 N -3.76 3.49 -0.36 -1.98 3.76 -1.26 -0.64 115.29 114.54 1ctl s HIS 32 Ca 0.29 0.55 0.20 0.00 -0.15 0.00 0.00 55.06 55.95 1ctl s HIS 32 Cb 0.01 -2.04 1.00 0.00 1.11 0.00 0.00 32.58 32.67 1ctl s HIS 32 CO 0.13 0.16 1.61 0.36 -0.85 0.00 0.00 174.74 176.14 1ctl n LYS 33 N -1.18 0.14 -0.29 1.40 2.85 0.27 0.59 118.16 121.93 1ctl n LYS 33 Ca -0.03 0.57 0.08 0.00 -1.05 0.00 0.00 58.31 57.88 1ctl n LYS 33 Cb 0.54 -1.88 0.20 0.00 -0.65 0.00 0.00 35.03 33.24 1ctl n LYS 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ctl n SER 34 N -2.16 3.28 -0.43 -5.58 2.88 -1.26 -4.00 113.62 106.36 1ctl n SER 34 Ca -0.00 -2.80 0.07 0.00 -1.33 0.00 0.00 58.87 54.80 1ctl n SER 34 Cb 0.08 -0.43 0.12 0.00 -0.75 0.00 0.00 64.21 63.22 1ctl n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ctl s PHE 36 N -2.14 3.53 -0.11 0.00 2.19 -1.04 -4.66 117.98 115.75 1ctl s PHE 36 Ca 0.28 -3.23 0.04 0.00 0.33 0.00 0.00 56.93 54.34 1ctl s PHE 36 Cb 0.26 -2.84 0.00 0.00 -1.31 0.00 0.00 43.02 39.14 1ctl s PHE 36 CO -0.02 -0.63 -0.24 -0.98 1.83 0.00 0.00 175.22 175.18 1ctl s ARG 37 N -1.11 3.05 -0.34 10.12 1.04 -1.26 -2.18 118.95 128.26 1ctl s ARG 37 Ca 0.23 -0.87 -0.27 0.00 -1.04 0.00 0.00 55.73 53.78 1ctl s ARG 37 Cb -0.10 -2.33 -0.06 0.00 -2.04 0.00 0.00 34.95 30.42 1ctl s ARG 37 CO -0.12 0.15 2.31 0.00 -0.04 0.00 0.00 175.30 177.61 1ctl h ALA 39 N 17.17 1.00 0.02 0.00 0.00 -1.86 -0.66 119.26 134.93 1ctl h ALA 39 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ctl h ALA 39 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ctl h ALA 39 CO 1.05 0.00 -0.01 -0.22 0.00 0.00 0.00 179.25 180.07 1ctl h LYS 40 N 0.00 -0.03 0.00 0.00 1.63 -1.87 -3.38 116.57 112.92 1ctl h LYS 40 Ca 0.00 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 1ctl h LYS 40 Cb 0.17 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1ctl h LYS 40 CO 0.00 -0.02 -1.17 0.00 -3.45 0.00 0.00 179.45 174.81 1ctl n GLY 42 N 1.33 0.88 3.76 0.00 0.00 -0.26 -5.08 105.19 105.82 1ctl n GLY 42 Ca -0.06 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.45 4.05 0.10 1.61 2.20 -1.21 -4.93 119.74 121.10 1ctl s LYS 43 Ca 0.00 -0.12 -0.28 0.00 -0.36 0.00 0.00 55.97 55.21 1ctl s LYS 43 Cb 0.00 -3.37 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1ctl s LYS 43 CO 0.00 0.39 0.89 -1.12 -0.36 0.00 0.00 175.35 175.15 1ctl s SER 44 N 0.08 7.41 0.12 1.43 0.01 -1.26 -1.54 113.70 119.94 1ctl s SER 44 Ca 0.11 1.68 -0.04 0.00 1.31 0.00 0.00 55.95 59.02 1ctl s SER 44 Cb -0.12 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.58 1ctl s SER 44 CO 0.01 -0.02 0.23 0.00 0.41 0.00 0.00 173.24 173.87 1ctl n LEU 45 N 2.70 0.00 0.00 2.44 -0.00 -0.93 -4.91 117.00 116.31 1ctl n LEU 45 Ca 0.00 -0.82 -0.19 0.00 -0.00 0.00 0.00 56.01 55.00 1ctl n LEU 45 Cb 0.49 1.12 -0.07 0.00 -0.00 0.00 0.00 43.42 44.96 1ctl n LEU 45 CO 0.50 -0.26 -0.10 -1.84 -0.00 0.00 0.00 177.39 175.69 1ctl n GLU 46 N -0.17 0.41 -0.93 1.47 0.28 -1.26 -4.53 120.64 115.91 1ctl n GLU 46 Ca -0.02 -3.19 -0.29 0.00 -0.16 0.00 0.00 57.16 53.50 1ctl n GLU 46 Cb 0.19 2.52 0.20 0.00 1.43 0.00 0.00 31.44 35.78 1ctl n GLU 46 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1ctl s SER 47 N -3.24 2.02 -0.67 -1.84 0.01 -1.26 -2.55 113.70 106.17 1ctl s SER 47 Ca 0.36 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1ctl s SER 47 Cb 0.02 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1ctl s SER 47 CO 0.26 -3.53 0.00 0.41 0.41 0.00 0.00 173.24 170.79 1ctl n THR 48 N -4.45 0.00 -1.81 1.44 -1.04 -1.26 -4.58 114.28 102.58 1ctl n THR 48 Ca 0.04 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.02 1ctl n THR 48 Cb 0.56 -1.25 -0.04 0.00 -1.82 0.00 0.00 70.33 67.78 1ctl n THR 48 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ctl n THR 49 N -2.17 0.00 -3.97 12.58 -2.24 -1.06 -5.03 114.28 112.39 1ctl n THR 49 Ca -0.06 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1ctl n THR 49 Cb 0.53 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.07 0.45 -0.30 3.22 0.05 -1.09 -1.72 118.68 119.23 1ctl s LEU 50 Ca 0.00 -1.16 -0.02 0.00 0.05 0.00 0.00 54.13 53.00 1ctl s LEU 50 Cb 0.01 1.99 0.19 0.00 -2.05 0.00 0.00 46.19 46.33 1ctl s LEU 50 CO -0.00 -1.34 0.69 0.00 -0.55 0.00 0.00 176.35 175.14 1ctl s ALA 51 N -3.26 -2.54 0.44 1.48 0.00 -0.39 -4.30 121.76 113.19 1ctl s ALA 51 Ca 0.23 1.63 -0.02 0.00 0.00 0.00 0.00 51.96 53.80 1ctl s ALA 51 Cb -0.02 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 1ctl s ALA 51 CO 0.13 -1.46 0.69 0.16 0.00 0.00 0.00 175.76 175.29 1ctl s ASP 52 N 2.87 6.15 -0.30 0.00 1.47 -1.26 -2.01 116.67 123.59 1ctl s ASP 52 Ca 0.16 0.64 -0.07 0.00 1.18 0.00 0.00 52.55 54.46 1ctl s ASP 52 Cb -0.13 -2.01 0.18 0.00 -0.34 0.00 0.00 42.92 40.62 1ctl s ASP 52 CO -0.20 -0.54 0.81 -1.59 0.68 0.00 0.00 175.17 174.33 1ctl s LYS 53 N -4.59 0.39 -1.79 2.11 -2.85 0.16 -4.83 119.74 108.34 1ctl s LYS 53 Ca 0.45 0.69 0.00 0.00 -1.00 0.00 0.00 55.97 56.12 1ctl s LYS 53 Cb -0.10 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1ctl s LYS 53 CO 0.41 -0.43 0.00 -0.25 0.10 0.00 0.00 175.35 175.18 1ctl n ASP 54 N 5.45 -5.51 0.00 0.03 8.00 -1.26 -1.72 116.55 121.55 1ctl n ASP 54 Ca -0.04 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1ctl n ASP 54 Cb 0.52 -4.49 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 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 -0.27 1.52 3.90 0.44 0.00 -1.26 -5.06 105.19 104.46 1ctl n GLY 55 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1ctl n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ctl s GLU 56 N -0.06 2.67 -0.15 1.61 2.02 -0.70 -4.96 118.70 119.14 1ctl s GLU 56 Ca 0.00 -1.39 -0.09 0.00 0.02 0.00 0.00 54.97 53.51 1ctl s GLU 56 Cb 0.00 -2.50 0.05 0.00 0.10 0.00 0.00 34.13 31.78 1ctl s GLU 56 CO 0.00 -0.13 0.36 0.96 0.02 0.00 0.00 175.26 176.48 1ctl s ILE 57 N -2.39 -0.03 0.26 -1.63 -4.36 -1.26 0.39 121.20 112.18 1ctl s ILE 57 Ca 0.48 0.10 0.01 0.00 -0.26 0.00 0.00 60.65 60.97 1ctl s ILE 57 Cb -0.05 -0.54 -0.00 0.00 1.25 0.00 0.00 42.46 43.11 1ctl s ILE 57 CO 0.29 0.04 0.04 0.00 0.24 0.00 0.00 174.94 175.54 1ctl n TYR 58 N 4.09 0.39 -4.23 1.37 4.11 -0.85 -3.72 117.16 118.32 1ctl n TYR 58 Ca -0.23 -1.41 -0.25 0.00 -0.00 0.00 0.00 57.90 56.02 1ctl n TYR 58 Cb 0.55 -0.10 -0.07 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 -0.55 0.17 0.01 0.00 4.81 -0.70 -1.41 118.16 120.50 1ctl n LYS 60 Ca -0.08 0.35 0.04 0.00 -0.87 0.00 0.00 58.31 57.75 1ctl n LYS 60 Cb 0.57 -1.80 0.17 0.00 0.02 0.00 0.00 35.03 33.99 1ctl n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ctl n GLY 61 N 0.26 -0.74 0.58 3.14 0.00 -1.24 -1.43 105.19 105.75 1ctl n GLY 61 Ca 0.03 -0.01 -0.05 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 h TYR 63 N -0.13 0.00 0.00 0.00 5.03 -1.48 -2.15 116.97 118.24 1ctl h TYR 63 Ca -0.13 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.12 1ctl h TYR 63 Cb 1.14 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 1ctl h TYR 63 CO -0.01 0.00 -0.96 0.00 -1.32 0.00 0.00 178.16 175.87 1ctl n ALA 64 N -1.91 0.72 0.33 1.82 0.00 -0.52 -4.21 120.51 116.75 1ctl n ALA 64 Ca -0.02 -0.65 0.22 0.00 0.00 0.00 0.00 53.44 52.98 1ctl n ALA 64 Cb 0.06 -0.01 1.15 0.00 0.00 0.00 0.00 19.45 20.64 1ctl n ALA 64 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ctl h LYS 65 N -1.00 0.00 -0.66 0.00 1.63 -1.04 -1.99 116.57 113.51 1ctl h LYS 65 Ca -0.09 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.24 1ctl h LYS 65 Cb 0.88 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.17 1ctl h LYS 65 CO -0.05 0.00 -0.52 -1.71 -3.45 0.00 0.00 179.45 173.71 1ctl n ASN 66 N -3.15 4.69 0.02 4.20 2.85 -0.84 -4.62 115.26 118.41 1ctl n ASN 66 Ca -0.03 -3.78 -0.22 0.00 -0.11 0.00 0.00 54.58 50.45 1ctl n ASN 66 Cb 0.10 -0.46 -0.14 0.00 1.24 0.00 0.00 39.78 40.51 1ctl n ASN 66 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1ctl h PHE 67 N 1.93 0.52 -3.21 1.20 3.04 -1.53 -3.43 116.94 115.46 1ctl h PHE 67 Ca 0.34 -0.38 -0.75 0.00 3.98 0.00 0.00 57.97 61.17 1ctl h PHE 67 Cb 1.40 -0.02 -0.24 0.00 2.56 0.00 0.00 35.95 39.65 1ctl h PHE 67 CO 0.93 1.64 -0.29 0.20 -2.02 0.00 0.00 178.31 178.77 1ctl s GLY 68 N -5.13 2.06 -0.76 2.40 0.00 -1.26 -5.01 107.32 99.62 1ctl s GLY 68 Ca -0.20 -2.36 -0.25 0.00 0.00 0.00 0.00 44.72 41.92 1ctl s GLY 68 CO 0.79 1.13 2.41 -1.05 0.00 0.00 0.00 173.10 176.37 1ctl n PRO 69 N 5.19 0.59 0.00 2.90 -0.02 -1.26 -4.80 135.00 137.60 1ctl n PRO 69 Ca -0.13 -0.69 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 1ctl n PRO 69 Cb 0.42 -3.52 0.00 0.00 -0.02 0.00 0.00 33.50 30.38 1ctl n PRO 69 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ctl n LYS 70 N 8.67 0.00 0.00 -0.52 4.76 -1.26 -4.94 118.16 124.87 1ctl n LYS 70 Ca 0.47 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 1ctl n LYS 70 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 1ctl n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ctl n GLY 71 N 0.00 0.46 4.01 0.72 0.00 -1.26 -5.13 105.19 104.00 1ctl n GLY 71 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1ctl n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ctl s PHE 72 N 0.95 1.86 0.53 1.61 0.40 -1.26 -5.13 117.98 116.94 1ctl s PHE 72 Ca 0.00 -0.45 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1ctl s PHE 72 Cb 0.00 -2.54 0.06 0.00 0.51 0.00 0.00 43.02 41.05 1ctl s PHE 72 CO 0.00 -1.17 0.73 0.20 0.70 0.00 0.00 175.22 175.67 1ctl s GLY 73 N -4.61 1.82 0.00 4.36 0.00 -1.26 -5.05 107.32 102.58 1ctl s GLY 73 Ca 0.62 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1ctl s GLY 73 CO 0.40 -1.53 0.00 0.69 0.00 0.00 0.00 173.10 172.66 1ctl n PHE 74 N -2.16 0.00 0.00 1.90 3.01 -1.26 -5.01 117.46 113.95 1ctl n PHE 74 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1ctl n PHE 74 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 1ctl n PHE 74 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ctl n GLY 75 N 1.52 2.56 5.30 1.37 0.00 -1.26 -4.91 105.19 109.77 1ctl n GLY 75 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.00 1.61 7.27 -1.26 -4.83 117.38 120.17 1ctl n GLN 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1ctl n GLN 76 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1ctl n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ctl n GLY 77 N 0.00 1.37 7.00 1.69 0.00 -1.26 -5.14 105.19 108.85 1ctl n GLY 77 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.02 0.00 0.00 4.61 0.00 -1.26 -5.04 120.51 117.81 1ctl n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ctl n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ctl n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ctl n GLY 79 N 0.00 -1.03 3.26 0.00 0.00 -1.26 -5.00 105.19 101.15 1ctl n GLY 79 Ca 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 1ctl n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl s ALA 80 N -1.00 1.57 0.00 4.61 0.00 -1.26 -4.74 121.76 120.94 1ctl s ALA 80 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1ctl s ALA 80 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1ctl s ALA 80 CO 0.00 0.08 0.00 1.28 0.00 0.00 0.00 175.76 177.12 1ctl n LEU 81 N 0.34 0.00 0.03 0.00 4.77 -1.26 -3.04 117.00 117.83 1ctl n LEU 81 Ca -0.14 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 1ctl n LEU 81 Cb 0.58 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1ctl n LEU 81 CO 0.29 0.00 -0.32 -0.29 -1.33 0.00 0.00 177.39 175.73 1ctl h ILE 82 N 0.00 1.14 0.00 -0.08 6.09 -2.03 -3.47 117.51 119.15 1ctl h ILE 82 Ca 0.00 -2.88 0.00 0.00 -1.37 0.00 0.00 64.86 60.61 1ctl h ILE 82 Cb 0.00 2.63 0.00 0.00 0.47 0.00 0.00 36.82 39.92 1ctl h ILE 82 CO 0.00 0.73 0.00 1.41 -3.07 0.00 0.00 178.15 177.22 1ctl n HIS 83 N -3.27 0.00 -2.57 2.19 8.25 -1.17 -4.84 115.22 113.80 1ctl n HIS 83 Ca -0.14 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.29 1ctl n HIS 83 Cb 1.02 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.10 1ctl n HIS 83 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ctl n SER 84 N 3.38 -2.77 -0.77 0.41 3.41 -1.26 -4.58 113.62 111.44 1ctl n SER 84 Ca 0.00 1.31 0.10 0.00 -0.26 0.00 0.00 58.87 60.01 1ctl n SER 84 Cb 0.00 -5.07 0.08 0.00 -0.26 0.00 0.00 64.21 58.96 1ctl n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88