#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ctl h ALA 2 N 0.00 1.00 -0.50 3.04 0.00 -2.05 -3.46 119.26 117.28 1ctl h ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ctl h ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ctl h ALA 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.19 1ctl n GLN 3 N -3.04 0.00 -3.61 0.00 0.00 -1.26 -4.33 117.38 105.15 1ctl n GLN 3 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.95 1ctl n GLN 3 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.29 1ctl n GLN 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1ctl s LYS 4 N 0.00 0.55 0.13 3.69 1.02 -1.26 -5.17 119.74 118.70 1ctl s LYS 4 Ca 0.00 1.19 0.07 0.00 0.02 0.00 0.00 55.97 57.25 1ctl s LYS 4 Cb 0.00 0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 37.78 1ctl s LYS 4 CO 0.00 -0.16 -0.17 0.08 -0.92 0.00 0.00 175.35 174.18 1ctl s VAL 5 N 2.29 1.60 0.00 3.17 1.01 -1.26 -5.12 120.40 122.10 1ctl s VAL 5 Ca -0.07 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1ctl s VAL 5 Cb -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1ctl s VAL 5 CO -0.19 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.24 1ctl n GLY 6 N 0.61 1.99 0.00 4.51 0.00 -1.26 -5.12 105.19 105.93 1ctl n GLY 6 Ca -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 2.92 0.45 0.09 -0.02 0.00 -1.26 -4.64 105.19 102.73 1ctl n GLY 7 Ca 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 1ctl n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ctl h SER 8 N 0.00 -0.16 -3.08 1.61 0.02 -1.85 -3.43 113.55 106.65 1ctl h SER 8 Ca 0.00 0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.47 1ctl h SER 8 Cb 0.00 0.04 -0.41 0.00 0.14 0.00 0.00 62.40 62.18 1ctl h SER 8 CO 0.00 0.05 -0.76 -1.81 -1.14 0.00 0.00 176.83 173.17 1ctl s ASP 9 N -3.79 2.66 0.54 3.07 1.01 -0.95 -4.61 116.67 114.60 1ctl s ASP 9 Ca -0.03 -0.76 0.04 0.00 0.71 0.00 0.00 52.55 52.50 1ctl s ASP 9 Cb 0.00 -0.36 0.04 0.00 1.01 0.00 0.00 42.92 43.61 1ctl s ASP 9 CO 0.08 -0.35 0.31 0.61 0.21 0.00 0.00 175.17 176.03 1ctl n GLY 10 N 5.21 2.95 2.83 0.21 0.00 -1.26 -1.04 105.19 114.08 1ctl n GLY 10 Ca -0.07 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 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 8.09 0.00 0.00 0.00 0.13 -1.84 -1.52 132.00 136.85 1ctl h PRO 12 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ctl h PRO 12 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ctl h PRO 12 CO 0.39 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.03 1ctl n ARG 13 N -2.91 0.00 0.02 0.86 3.00 -1.26 -4.51 116.66 111.86 1ctl n ARG 13 Ca -0.03 0.34 0.12 0.00 -0.00 0.00 0.00 57.85 58.29 1ctl n ARG 13 Cb 0.15 -0.84 0.30 0.00 0.00 0.00 0.00 32.46 32.07 1ctl n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ctl n GLY 15 N 1.44 0.49 0.00 0.00 0.00 -0.57 -5.06 105.19 101.49 1ctl n GLY 15 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ctl n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ctl n GLN 16 N -2.91 0.47 -3.70 1.61 1.13 -1.24 -4.95 117.38 107.78 1ctl n GLN 16 Ca -0.01 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.91 1ctl n GLN 16 Cb 0.05 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.31 1ctl n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ctl s ALA 17 N -3.06 -1.08 0.56 -1.58 0.00 -1.26 -1.89 121.76 113.44 1ctl s ALA 17 Ca 0.00 0.84 0.09 0.00 0.00 0.00 0.00 51.96 52.89 1ctl s ALA 17 Cb 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 22.98 1ctl s ALA 17 CO 0.00 -0.26 0.72 0.08 0.00 0.00 0.00 175.76 176.30 1ctl s VAL 18 N -0.77 2.12 -0.46 0.00 1.01 -0.21 -4.93 120.40 117.16 1ctl s VAL 18 Ca -0.08 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 1ctl s VAL 18 Cb -0.04 -2.19 0.15 0.00 0.00 0.00 0.00 36.38 34.30 1ctl s VAL 18 CO 0.04 0.00 2.48 0.00 0.00 0.00 0.00 175.10 177.62 1ctl n TYR 19 N -2.15 1.79 -2.37 5.22 9.36 -1.26 -2.24 117.16 125.51 1ctl n TYR 19 Ca 0.13 -2.05 -0.19 0.00 3.32 0.00 0.00 57.90 59.11 1ctl n TYR 19 Cb 0.62 -1.26 -0.01 0.00 -0.63 0.00 0.00 39.34 38.05 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 0.52 -0.57 -0.08 2.98 0.00 -1.26 -4.78 120.51 117.31 1ctl n ALA 20 Ca 0.45 0.16 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1ctl n ALA 20 Cb 0.54 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.93 0.00 1.01 0.00 0.00 -1.26 -4.75 120.51 113.58 1ctl n ALA 21 Ca -0.23 -0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.16 1ctl n ALA 21 Cb 0.67 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.22 1ctl n ALA 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ctl n GLU 22 N -2.25 0.05 -1.69 0.00 -0.00 -1.26 -5.01 120.64 110.47 1ctl n GLU 22 Ca 0.00 -0.03 -0.43 0.00 -0.00 0.00 0.00 57.16 56.69 1ctl n GLU 22 Cb 0.00 -1.50 -0.03 0.00 -0.00 0.00 0.00 31.44 29.91 1ctl n GLU 22 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1ctl n LYS 23 N -1.45 2.69 -2.64 3.44 0.00 -1.26 -3.39 118.16 115.55 1ctl n LYS 23 Ca 0.05 0.98 -0.22 0.00 -0.00 0.00 0.00 58.31 59.12 1ctl n LYS 23 Cb 0.34 -2.86 0.08 0.00 -0.00 0.00 0.00 35.03 32.58 1ctl n LYS 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1ctl s VAL 24 N 2.83 2.33 0.03 0.58 -7.23 -0.68 -4.92 120.40 113.33 1ctl s VAL 24 Ca 0.83 -0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 60.31 1ctl s VAL 24 Cb -0.51 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 1ctl s VAL 24 CO 0.39 0.00 0.05 -0.63 -0.31 0.00 0.00 175.10 174.60 1ctl s ILE 25 N -2.96 0.13 -0.19 -0.62 1.09 -1.26 -1.98 121.20 115.39 1ctl s ILE 25 Ca 0.63 -1.06 -0.15 0.00 -1.10 0.00 0.00 60.65 58.97 1ctl s ILE 25 Cb -0.07 -0.70 0.06 0.00 -1.06 0.00 0.00 42.46 40.69 1ctl s ILE 25 CO 0.42 -0.58 0.50 -0.83 -0.10 0.00 0.00 174.94 174.34 1ctl s GLY 26 N -1.89 -0.40 0.00 6.18 0.00 -0.83 -4.92 107.32 105.46 1ctl s GLY 26 Ca -0.09 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.22 1ctl s GLY 26 CO -0.03 1.52 0.00 0.00 0.00 0.00 0.00 173.10 174.59 1ctl n ALA 27 N 3.46 0.00 -2.02 3.20 0.00 -1.26 0.46 120.51 124.35 1ctl n ALA 27 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ctl n ALA 27 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.65 3.93 0.00 0.00 -1.26 -5.12 105.19 103.38 1ctl n GLY 28 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.75 0.01 1.61 -0.14 0.17 -5.14 119.74 119.00 1ctl s LYS 29 Ca 0.01 -1.32 -0.05 0.00 -1.36 0.00 0.00 55.97 53.24 1ctl s LYS 29 Cb 0.01 -2.58 -0.00 0.00 -1.68 0.00 0.00 37.83 33.58 1ctl s LYS 29 CO -0.01 -0.12 0.10 0.45 -0.76 0.00 0.00 175.35 175.01 1ctl s SER 30 N -4.18 0.08 0.30 2.83 0.15 -1.26 -1.97 113.70 109.66 1ctl s SER 30 Ca 0.48 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1ctl s SER 30 Cb -0.07 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1ctl s SER 30 CO 0.30 -0.35 0.34 0.26 1.20 0.00 0.00 173.24 174.98 1ctl s TRP 31 N -1.41 1.27 0.50 3.44 0.52 -0.84 -3.82 118.94 118.60 1ctl s TRP 31 Ca -0.15 -1.40 -0.02 0.00 0.02 0.00 0.00 56.10 54.55 1ctl s TRP 31 Cb -0.08 -0.38 -0.00 0.00 -1.15 0.00 0.00 33.47 31.85 1ctl s TRP 31 CO 0.01 -0.93 0.75 -1.01 0.02 0.00 0.00 176.95 175.79 1ctl s HIS 32 N -3.50 3.26 0.25 -1.98 3.76 -1.26 -1.69 115.29 114.13 1ctl s HIS 32 Ca 0.35 0.41 0.10 0.00 -0.15 0.00 0.00 55.06 55.76 1ctl s HIS 32 Cb 0.02 -2.45 0.27 0.00 1.11 0.00 0.00 32.58 31.54 1ctl s HIS 32 CO 0.20 -0.50 1.56 1.57 -0.85 0.00 0.00 174.74 176.73 1ctl h LYS 33 N 0.20 0.01 0.00 1.40 5.09 -1.95 -0.86 116.57 120.47 1ctl h LYS 33 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1ctl h LYS 33 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 1ctl h LYS 33 CO 0.59 0.68 -0.13 0.77 -2.09 0.00 0.00 179.45 179.26 1ctl h SER 34 N 0.01 0.00 1.10 7.07 0.02 -1.93 -3.35 113.55 116.48 1ctl h SER 34 Ca -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1ctl h SER 34 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ctl h SER 34 CO 0.09 0.01 -0.42 0.00 -1.14 0.00 0.00 176.83 175.37 1ctl s PHE 36 N -3.15 1.89 -0.39 0.00 2.19 -1.07 -4.92 117.98 112.54 1ctl s PHE 36 Ca 0.07 0.62 -0.00 0.00 0.33 0.00 0.00 56.93 57.95 1ctl s PHE 36 Cb 0.13 -4.15 0.11 0.00 -1.31 0.00 0.00 43.02 37.79 1ctl s PHE 36 CO 0.68 -2.85 0.15 0.50 1.83 0.00 0.00 175.22 175.53 1ctl s ARG 37 N 5.52 1.82 -0.10 10.12 6.06 -1.26 -1.97 118.95 139.15 1ctl s ARG 37 Ca 0.77 -1.86 -0.29 0.00 -2.50 0.00 0.00 55.73 51.85 1ctl s ARG 37 Cb -0.22 -3.45 -0.06 0.00 0.06 0.00 0.00 34.95 31.28 1ctl s ARG 37 CO 0.34 -1.03 1.90 0.00 -2.50 0.00 0.00 175.30 174.01 1ctl n ALA 39 N 8.68 6.30 0.00 0.00 0.00 -1.23 -0.63 120.51 133.62 1ctl n ALA 39 Ca 0.22 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1ctl n ALA 39 Cb 0.43 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.66 0.00 0.01 0.00 4.81 -1.26 -4.62 118.16 116.43 1ctl n LYS 40 Ca 0.58 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 58.13 1ctl n LYS 40 Cb 0.55 -0.42 -0.03 0.00 0.02 0.00 0.00 35.03 35.14 1ctl n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ctl n GLY 42 N 1.41 0.67 3.67 0.00 0.00 0.19 -5.05 105.19 106.07 1ctl n GLY 42 Ca 0.02 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.99 2.53 0.28 1.61 2.20 -0.13 -4.91 119.74 120.33 1ctl s LYS 43 Ca 0.00 -0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 1ctl s LYS 43 Cb 0.00 -2.53 -0.10 0.00 -1.51 0.00 0.00 37.83 33.70 1ctl s LYS 43 CO 0.00 0.55 1.27 -1.12 -0.36 0.00 0.00 175.35 175.70 1ctl s SER 44 N -2.12 6.90 0.00 1.43 0.01 -1.26 -1.93 113.70 116.73 1ctl s SER 44 Ca 0.24 2.53 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1ctl s SER 44 Cb -0.12 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1ctl s SER 44 CO 0.16 -0.46 0.00 0.18 0.41 0.00 0.00 173.24 173.52 1ctl n LEU 45 N 1.44 0.00 -4.56 2.44 4.77 -0.83 -4.93 117.00 115.33 1ctl n LEU 45 Ca 0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.74 1ctl n LEU 45 Cb 0.43 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1ctl n LEU 45 CO 0.58 -0.22 -0.28 -1.61 -1.33 0.00 0.00 177.39 174.54 1ctl s GLU 46 N 0.44 1.86 0.22 3.23 0.41 -1.26 -4.97 118.70 118.63 1ctl s GLU 46 Ca 0.00 -2.06 0.15 0.00 -0.41 0.00 0.00 54.97 52.66 1ctl s GLU 46 Cb 0.00 -1.32 0.82 0.00 -1.78 0.00 0.00 34.13 31.85 1ctl s GLU 46 CO 0.00 -0.13 1.47 -1.13 -0.49 0.00 0.00 175.26 174.98 1ctl n SER 47 N -0.89 0.39 -3.18 -0.19 3.41 -1.26 -4.60 113.62 107.30 1ctl n SER 47 Ca -0.05 0.68 -0.24 0.00 -0.26 0.00 0.00 58.87 59.00 1ctl n SER 47 Cb 0.67 -0.73 0.23 0.00 -0.26 0.00 0.00 64.21 64.12 1ctl n SER 47 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ctl n THR 48 N -2.02 0.00 -1.68 6.66 -2.24 -1.26 -5.01 114.28 108.73 1ctl n THR 48 Ca -0.01 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 1ctl n THR 48 Cb 0.04 -0.81 0.08 0.00 -2.10 0.00 0.00 70.33 67.54 1ctl n THR 48 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ctl n THR 49 N -5.15 0.00 -3.35 4.28 -1.04 -1.26 -4.96 114.28 102.80 1ctl n THR 49 Ca 0.11 -0.49 -0.01 0.00 -2.04 0.00 0.00 64.05 61.62 1ctl n THR 49 Cb 0.47 -1.62 -0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1ctl n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ctl n LEU 50 N 0.00 0.00 -3.25 -4.42 -0.00 -1.26 -1.63 117.00 106.43 1ctl n LEU 50 Ca 0.07 -0.30 -0.04 0.00 -0.00 0.00 0.00 56.01 55.75 1ctl n LEU 50 Cb 0.25 0.35 -0.04 0.00 -0.00 0.00 0.00 43.42 43.97 1ctl n LEU 50 CO 0.18 -0.08 0.01 0.00 -0.00 0.00 0.00 177.39 177.49 1ctl s ALA 51 N -1.40 -1.63 0.58 1.47 0.00 0.65 -4.39 121.76 117.03 1ctl s ALA 51 Ca 0.02 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.70 1ctl s ALA 51 Cb -0.00 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1ctl s ALA 51 CO 0.02 -1.58 1.01 0.16 0.00 0.00 0.00 175.76 175.37 1ctl s ASP 52 N 2.66 6.33 -0.30 0.00 1.47 -1.26 -1.65 116.67 123.92 1ctl s ASP 52 Ca 0.12 1.52 -0.19 0.00 1.18 0.00 0.00 52.55 55.18 1ctl s ASP 52 Cb -0.13 -2.49 0.18 0.00 -0.34 0.00 0.00 42.92 40.14 1ctl s ASP 52 CO -0.24 -0.80 1.28 -0.75 0.68 0.00 0.00 175.17 175.35 1ctl s LYS 53 N -4.62 0.00 -2.07 2.11 2.47 -0.30 -4.89 119.74 112.45 1ctl s LYS 53 Ca 0.57 0.00 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 1ctl s LYS 53 Cb -0.11 0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.26 1ctl s LYS 53 CO 0.43 -0.00 0.00 -0.40 0.16 0.00 0.00 175.35 175.54 1ctl n ASP 54 N 5.22 -5.38 0.00 1.43 5.68 -1.26 -1.40 116.55 120.84 1ctl n ASP 54 Ca -0.09 0.46 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 1ctl n ASP 54 Cb 0.55 -4.61 0.00 0.00 -1.14 0.00 0.00 41.12 35.93 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ctl n GLY 55 N -0.58 3.01 1.92 6.12 0.00 -1.26 -5.03 105.19 109.37 1ctl n GLY 55 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1ctl n GLY 55 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ctl n GLU 56 N -0.93 0.74 -3.66 1.61 0.28 -0.49 -5.07 120.64 113.11 1ctl n GLU 56 Ca 0.00 -1.51 -0.14 0.00 -0.16 0.00 0.00 57.16 55.35 1ctl n GLU 56 Cb 0.00 -0.15 -0.08 0.00 1.43 0.00 0.00 31.44 32.64 1ctl n GLU 56 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1ctl s ILE 57 N -0.85 -0.00 0.38 3.84 -4.36 -1.26 -1.15 121.20 117.81 1ctl s ILE 57 Ca 0.30 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 60.73 1ctl s ILE 57 Cb -0.02 -0.86 -0.03 0.00 1.25 0.00 0.00 42.46 42.80 1ctl s ILE 57 CO 0.19 0.00 0.13 -0.72 0.24 0.00 0.00 174.94 174.78 1ctl s TYR 58 N 0.36 1.78 0.07 1.37 1.13 -0.66 -3.54 117.35 117.87 1ctl s TYR 58 Ca -0.00 -1.26 0.05 0.00 -1.41 0.00 0.00 57.07 54.45 1ctl s TYR 58 Cb -0.04 -1.13 -0.04 0.00 -1.10 0.00 0.00 41.96 39.65 1ctl s TYR 58 CO 0.00 -0.30 -0.05 0.00 -2.51 0.00 0.00 175.55 172.69 1ctl n LYS 60 N 0.91 0.04 0.00 0.00 4.81 -0.65 -1.84 118.16 121.43 1ctl n LYS 60 Ca -0.13 0.19 0.05 0.00 -0.87 0.00 0.00 58.31 57.55 1ctl n LYS 60 Cb 0.52 -1.50 0.26 0.00 0.02 0.00 0.00 35.03 34.33 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 0.29 -0.49 1.11 3.14 0.00 -1.26 -0.67 105.19 107.32 1ctl n GLY 61 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.94 0.36 -0.07 0.00 4.19 -0.94 -0.40 117.16 117.36 1ctl n TYR 63 Ca 0.00 0.19 -0.05 0.00 3.31 0.00 0.00 57.90 61.35 1ctl n TYR 63 Cb 0.44 -0.80 -0.02 0.00 0.49 0.00 0.00 39.34 39.45 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ctl n ALA 64 N -1.64 0.49 0.18 2.98 0.00 0.16 -4.04 120.51 118.65 1ctl n ALA 64 Ca -0.01 -0.48 0.11 0.00 0.00 0.00 0.00 53.44 53.06 1ctl n ALA 64 Cb 0.02 0.02 0.55 0.00 0.00 0.00 0.00 19.45 20.04 1ctl n ALA 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ctl n LYS 65 N -4.30 0.14 -3.04 0.00 3.00 0.03 -0.37 118.16 113.62 1ctl n LYS 65 Ca -0.08 0.61 -0.25 0.00 -0.00 0.00 0.00 58.31 58.60 1ctl n LYS 65 Cb 0.29 -1.93 -0.04 0.00 0.00 0.00 0.00 35.03 33.35 1ctl n LYS 65 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1ctl n ASN 66 N -2.22 3.42 -4.44 3.14 6.94 0.46 -5.03 115.26 117.54 1ctl n ASN 66 Ca -0.01 -3.48 -0.29 0.00 -0.02 0.00 0.00 54.58 50.78 1ctl n ASN 66 Cb 0.05 -0.58 0.18 0.00 -2.36 0.00 0.00 39.78 37.07 1ctl n ASN 66 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1ctl s PHE 67 N -3.10 1.74 -0.06 -2.53 -0.71 0.50 -4.87 117.98 108.96 1ctl s PHE 67 Ca 0.46 0.76 -0.01 0.00 -1.04 0.00 0.00 56.93 57.09 1ctl s PHE 67 Cb 0.29 -3.42 -0.03 0.00 -1.21 0.00 0.00 43.02 38.64 1ctl s PHE 67 CO -0.12 -3.01 0.02 0.20 -1.34 0.00 0.00 175.22 170.97 1ctl s GLY 68 N -3.85 1.89 0.58 1.99 0.00 -1.26 -5.00 107.32 101.67 1ctl s GLY 68 Ca 0.67 -0.83 0.32 0.00 0.00 0.00 0.00 44.72 44.88 1ctl s GLY 68 CO 0.56 -0.62 2.21 -0.56 0.00 0.00 0.00 173.10 174.69 1ctl h PRO 69 N 4.90 0.00 -1.83 2.90 0.13 -2.03 -3.46 132.00 132.62 1ctl h PRO 69 Ca -0.51 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.30 1ctl h PRO 69 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1ctl h PRO 69 CO 0.56 0.04 -0.38 1.17 -0.23 0.00 0.00 178.00 179.15 1ctl n LYS 70 N -3.64 -1.24 0.00 0.86 0.00 -1.26 -4.37 118.16 108.51 1ctl n LYS 70 Ca -0.03 0.88 0.00 0.00 0.00 0.00 0.00 58.31 59.16 1ctl n LYS 70 Cb 0.13 -5.21 0.00 0.00 0.00 0.00 0.00 35.03 29.95 1ctl n LYS 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ctl n GLY 71 N -1.01 0.34 1.16 3.14 0.00 -1.26 -5.08 105.19 102.48 1ctl n GLY 71 Ca -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1ctl n GLY 71 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ctl n PHE 72 N 0.00 -0.14 -1.52 1.61 7.35 -1.26 -5.02 117.46 118.49 1ctl n PHE 72 Ca 0.00 0.02 -0.18 0.00 -0.76 0.00 0.00 57.45 56.54 1ctl n PHE 72 Cb 0.00 0.08 -0.08 0.00 0.35 0.00 0.00 39.48 39.83 1ctl n PHE 72 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ctl n GLY 73 N 2.94 1.71 1.01 7.13 0.00 -1.26 -4.67 105.19 112.05 1ctl n GLY 73 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1ctl n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ctl n PHE 74 N -2.38 -2.64 -1.88 1.61 3.72 -1.26 -4.77 117.46 109.86 1ctl n PHE 74 Ca -0.18 1.41 0.05 0.00 -0.05 0.00 0.00 57.45 58.68 1ctl n PHE 74 Cb 0.64 -2.40 0.13 0.00 -0.94 0.00 0.00 39.48 36.90 1ctl n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ctl n GLY 75 N -3.73 3.45 2.51 1.37 0.00 -1.26 -4.86 105.19 102.66 1ctl n GLY 75 Ca -0.04 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 1ctl n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ctl s GLN 76 N -1.92 0.82 0.03 1.61 -1.52 -1.26 -4.95 119.66 112.47 1ctl s GLN 76 Ca 0.34 -1.69 -0.05 0.00 -1.95 0.00 0.00 55.36 52.01 1ctl s GLN 76 Cb 0.34 -1.59 -0.01 0.00 -0.22 0.00 0.00 33.01 31.54 1ctl s GLN 76 CO -0.09 -1.24 0.08 0.20 -0.25 0.00 0.00 175.29 173.99 1ctl s GLY 77 N 0.64 0.18 -0.02 3.09 0.00 -1.26 -5.10 107.32 104.85 1ctl s GLY 77 Ca 0.21 -0.55 0.06 0.00 0.00 0.00 0.00 44.72 44.45 1ctl s GLY 77 CO -0.04 -0.67 -0.21 0.00 0.00 0.00 0.00 173.10 172.18 1ctl s ALA 78 N -2.42 1.74 0.00 3.20 0.00 -1.26 -4.55 121.76 118.47 1ctl s ALA 78 Ca -0.07 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1ctl s ALA 78 Cb -0.02 -0.45 0.07 0.00 0.00 0.00 0.00 23.12 22.72 1ctl s ALA 78 CO -0.04 0.42 0.86 0.41 0.00 0.00 0.00 175.76 177.41 1ctl n GLY 79 N 2.60 0.75 0.00 0.00 0.00 -1.26 -4.98 105.19 102.30 1ctl n GLY 79 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ctl n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl n ALA 80 N 0.08 1.58 0.07 4.61 0.00 -1.26 -5.07 120.51 120.53 1ctl n ALA 80 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ctl n ALA 80 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1ctl n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ctl n LEU 81 N -0.81 0.77 -3.15 0.00 0.00 -1.26 -5.07 117.00 107.47 1ctl n LEU 81 Ca 0.00 0.21 0.05 0.00 0.00 0.00 0.00 56.01 56.27 1ctl n LEU 81 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 43.42 43.26 1ctl n LEU 81 CO 0.00 -0.75 0.50 -0.51 0.00 0.00 0.00 177.39 176.63 1ctl s ILE 82 N -1.94 -0.40 -0.29 1.96 -1.16 -1.26 -5.06 121.20 113.05 1ctl s ILE 82 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.03 1ctl s ILE 82 Cb 0.00 -0.77 0.12 0.00 0.61 0.00 0.00 42.46 42.42 1ctl s ILE 82 CO 0.00 0.00 0.63 -1.00 -2.81 0.00 0.00 174.94 171.76 1ctl s HIS 83 N 2.94 -1.26 -0.45 3.50 3.76 -1.26 -5.09 115.29 117.43 1ctl s HIS 83 Ca 0.10 2.23 -0.10 0.00 -0.15 0.00 0.00 55.06 57.14 1ctl s HIS 83 Cb -0.08 0.74 0.09 0.00 1.11 0.00 0.00 32.58 34.44 1ctl s HIS 83 CO -0.17 -0.63 0.32 -1.12 -0.85 0.00 0.00 174.74 172.29 1ctl s SER 84 N 2.68 5.75 0.00 1.40 0.01 -1.26 -4.31 113.70 117.97 1ctl s SER 84 Ca -0.06 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.58 1ctl s SER 84 Cb -0.11 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1ctl s SER 84 CO -0.19 -0.62 0.00 1.67 0.41 0.00 0.00 173.24 174.52