#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 3.51 -0.70 -5.12 0.00 -1.26 -5.05 121.76 113.13 1ctl s ALA 2 Ca 0.00 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.36 1ctl s ALA 2 Cb 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 23.12 23.21 1ctl s ALA 2 CO 0.00 -0.11 2.34 1.14 0.00 0.00 0.00 175.76 179.13 1ctl s GLN 3 N -3.80 1.88 0.18 0.00 0.00 -1.26 -4.78 119.66 111.88 1ctl s GLN 3 Ca 0.21 0.69 -0.12 0.00 -0.00 0.00 0.00 55.36 56.15 1ctl s GLN 3 Cb 0.06 -4.73 0.10 0.00 0.00 0.00 0.00 33.01 28.43 1ctl s GLN 3 CO 0.11 -3.92 1.79 0.87 0.00 0.00 0.00 175.29 174.13 1ctl h LYS 4 N 14.75 0.89 0.00 9.60 1.79 -1.97 -3.31 116.57 138.32 1ctl h LYS 4 Ca -0.08 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1ctl h LYS 4 Cb 1.09 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1ctl h LYS 4 CO 1.08 0.69 -0.29 1.33 -1.08 0.00 0.00 179.45 181.18 1ctl n VAL 5 N -4.53 0.53 -1.42 0.50 0.24 -1.26 -4.99 118.33 107.40 1ctl n VAL 5 Ca 0.04 -0.63 -0.15 0.00 -2.04 0.00 0.00 64.34 61.57 1ctl n VAL 5 Cb 0.10 0.37 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 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 -0.39 1.41 1.59 7.63 0.00 -1.25 -4.61 105.19 109.57 1ctl n GLY 6 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.15 0.36 3.28 -0.02 0.00 -1.26 -5.14 105.19 102.26 1ctl n GLY 7 Ca -0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1ctl n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ctl s SER 8 N -0.55 0.06 -0.23 1.61 0.15 -1.26 -4.92 113.70 108.56 1ctl s SER 8 Ca 0.03 -0.75 -0.18 0.00 0.70 0.00 0.00 55.95 55.74 1ctl s SER 8 Cb 0.14 0.40 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 1ctl s SER 8 CO -0.04 -0.82 0.59 -1.81 1.20 0.00 0.00 173.24 172.36 1ctl s ASP 9 N -2.92 -0.67 0.43 5.45 1.11 -0.96 -4.87 116.67 114.24 1ctl s ASP 9 Ca 0.11 1.23 0.06 0.00 0.18 0.00 0.00 52.55 54.14 1ctl s ASP 9 Cb 0.04 1.20 -0.05 0.00 1.07 0.00 0.00 42.92 45.18 1ctl s ASP 9 CO -0.05 -0.21 0.12 -0.83 1.18 0.00 0.00 175.17 175.37 1ctl s GLY 10 N 0.70 2.47 -0.32 0.21 0.00 -1.26 -0.62 107.32 108.51 1ctl s GLY 10 Ca -0.03 -1.96 0.02 0.00 0.00 0.00 0.00 44.72 42.75 1ctl s GLY 10 CO -0.05 -2.01 0.04 0.00 0.00 0.00 0.00 173.10 171.09 1ctl n PRO 12 N 4.46 0.12 -0.04 0.00 -0.02 -1.26 -1.54 135.00 136.73 1ctl n PRO 12 Ca -0.00 0.62 -0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1ctl n PRO 12 Cb 0.42 -1.89 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1ctl n PRO 12 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ctl h ARG 13 N 0.00 0.00 0.00 -0.52 9.65 -1.89 -3.39 114.38 118.23 1ctl h ARG 13 Ca 0.00 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.71 1ctl h ARG 13 Cb 0.00 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 1ctl h ARG 13 CO 0.00 0.00 -1.49 0.00 2.80 0.00 0.00 179.97 181.28 1ctl n GLY 15 N 1.40 1.08 3.99 0.00 0.00 -0.59 -5.10 105.19 105.98 1ctl n GLY 15 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.13 2.70 0.05 1.61 -0.21 -1.16 -4.96 119.66 117.57 1ctl s GLN 16 Ca 0.00 -1.35 0.05 0.00 0.02 0.00 0.00 55.36 54.08 1ctl s GLN 16 Cb 0.00 -2.67 -0.03 0.00 1.00 0.00 0.00 33.01 31.31 1ctl s GLN 16 CO 0.00 -0.35 -0.14 0.00 -2.12 0.00 0.00 175.29 172.68 1ctl s ALA 17 N -2.42 1.19 -0.06 6.09 0.00 -1.26 0.59 121.76 125.88 1ctl s ALA 17 Ca 0.54 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1ctl s ALA 17 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1ctl s ALA 17 CO 0.33 0.20 0.03 0.08 0.00 0.00 0.00 175.76 176.39 1ctl s VAL 18 N -1.04 4.46 0.00 0.00 1.01 0.21 -4.89 120.40 120.16 1ctl s VAL 18 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1ctl s VAL 18 Cb -0.09 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1ctl s VAL 18 CO 0.02 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.65 1ctl n TYR 19 N 1.87 0.00 -0.25 5.22 9.36 -1.26 -2.27 117.16 129.83 1ctl n TYR 19 Ca -0.17 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.10 1ctl n TYR 19 Cb 0.53 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.52 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 -1.76 3.36 -2.56 2.98 0.00 -1.26 -4.86 120.51 116.40 1ctl n ALA 20 Ca 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 53.44 52.10 1ctl n ALA 20 Cb 0.38 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 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 0.51 -3.66 -1.53 0.00 0.00 -1.26 -4.97 120.51 109.60 1ctl n ALA 21 Ca 0.19 1.98 0.06 0.00 0.00 0.00 0.00 53.44 55.68 1ctl n ALA 21 Cb 0.86 -3.87 0.12 0.00 0.00 0.00 0.00 19.45 16.56 1ctl n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ctl n GLU 22 N 1.43 1.00 -3.30 0.00 4.07 -1.26 -5.07 120.64 117.50 1ctl n GLU 22 Ca -0.33 -2.43 -0.40 0.00 -0.06 0.00 0.00 57.16 53.94 1ctl n GLU 22 Cb 0.51 -1.19 -0.08 0.00 -0.06 0.00 0.00 31.44 30.61 1ctl n GLU 22 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1ctl s LYS 23 N -2.15 3.85 0.65 5.31 0.00 -1.25 -2.66 119.74 123.49 1ctl s LYS 23 Ca 0.28 -0.00 -0.10 0.00 0.00 0.00 0.00 55.97 56.15 1ctl s LYS 23 Cb 0.27 -3.72 0.15 0.00 0.00 0.00 0.00 37.83 34.52 1ctl s LYS 23 CO -0.02 -0.45 0.89 1.33 0.00 0.00 0.00 175.35 177.09 1ctl n VAL 24 N 5.25 0.00 -3.82 1.79 0.24 0.14 -4.84 118.33 117.09 1ctl n VAL 24 Ca -0.06 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.34 61.37 1ctl n VAL 24 Cb 0.50 -1.56 -0.13 0.00 -1.47 0.00 0.00 33.84 31.17 1ctl n VAL 24 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1ctl s ILE 25 N -2.87 -0.01 0.00 1.34 -4.36 -1.26 -1.94 121.20 112.10 1ctl s ILE 25 Ca 0.51 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.94 1ctl s ILE 25 Cb -0.02 -0.17 0.00 0.00 1.25 0.00 0.00 42.46 43.53 1ctl s ILE 25 CO 0.36 0.01 0.00 0.61 0.24 0.00 0.00 174.94 176.16 1ctl n GLY 26 N 3.23 5.20 3.57 6.27 0.00 -0.51 -4.85 105.19 118.11 1ctl n GLY 26 Ca -0.15 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 1ctl n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl s ALA 27 N -2.00 1.36 -2.04 4.61 0.00 -1.26 -2.01 121.76 120.42 1ctl s ALA 27 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1ctl s ALA 27 Cb 0.00 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.48 1ctl s ALA 27 CO 0.00 -5.58 0.00 0.41 0.00 0.00 0.00 175.76 170.59 1ctl n GLY 28 N 6.23 1.84 3.80 0.00 0.00 -1.26 -4.71 105.19 111.09 1ctl n GLY 28 Ca 0.43 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.62 2.44 -0.04 1.61 1.02 -0.85 -5.15 119.74 115.16 1ctl s LYS 29 Ca 0.00 -1.58 -0.13 0.00 0.02 0.00 0.00 55.97 54.28 1ctl s LYS 29 Cb 0.00 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1ctl s LYS 29 CO 0.00 -0.05 0.29 -1.54 -0.92 0.00 0.00 175.35 173.14 1ctl s SER 30 N -3.98 -0.20 0.06 2.83 1.04 -1.26 -1.42 113.70 110.77 1ctl s SER 30 Ca 0.42 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.98 1ctl s SER 30 Cb -0.02 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1ctl s SER 30 CO 0.25 -0.36 0.09 0.26 0.98 0.00 0.00 173.24 174.46 1ctl s TRP 31 N -1.00 0.27 0.54 5.02 0.52 -0.82 -4.11 118.94 119.37 1ctl s TRP 31 Ca -0.11 -0.69 -0.16 0.00 0.02 0.00 0.00 56.10 55.17 1ctl s TRP 31 Cb -0.05 -0.18 -0.06 0.00 -1.15 0.00 0.00 33.47 32.03 1ctl s TRP 31 CO 0.03 -0.43 1.01 -1.01 0.02 0.00 0.00 176.95 176.57 1ctl s HIS 32 N -3.41 3.34 0.60 -1.98 3.76 -1.25 0.26 115.29 116.60 1ctl s HIS 32 Ca 0.02 1.47 0.36 0.00 -0.15 0.00 0.00 55.06 56.75 1ctl s HIS 32 Cb 0.03 -2.85 2.03 0.00 1.11 0.00 0.00 32.58 32.91 1ctl s HIS 32 CO -0.08 -0.60 2.28 1.57 -0.85 0.00 0.00 174.74 177.06 1ctl h LYS 33 N 0.69 0.00 0.00 1.40 5.09 -1.91 0.46 116.57 122.30 1ctl h LYS 33 Ca -0.47 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.05 1ctl h LYS 33 Cb 1.19 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.49 1ctl h LYS 33 CO 0.60 0.01 -1.24 1.03 -2.09 0.00 0.00 179.45 177.76 1ctl h SER 34 N 0.00 0.00 -0.49 7.07 0.87 -1.89 -3.30 113.55 115.81 1ctl h SER 34 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ctl h SER 34 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1ctl h SER 34 CO 0.00 0.92 0.00 0.00 -0.53 0.00 0.00 176.83 177.22 1ctl s PHE 36 N -1.90 3.26 -0.11 0.00 2.19 -1.18 -4.82 117.98 115.42 1ctl s PHE 36 Ca 0.40 -1.22 0.02 0.00 0.33 0.00 0.00 56.93 56.46 1ctl s PHE 36 Cb 0.27 -3.57 0.01 0.00 -1.31 0.00 0.00 43.02 38.42 1ctl s PHE 36 CO 0.18 -0.95 -0.15 1.03 1.83 0.00 0.00 175.22 177.15 1ctl s ARG 37 N 1.59 2.26 -0.28 10.12 0.52 -1.26 -1.77 118.95 130.12 1ctl s ARG 37 Ca 0.03 -0.57 -0.28 0.00 -0.52 0.00 0.00 55.73 54.39 1ctl s ARG 37 Cb -0.28 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 1ctl s ARG 37 CO 0.04 -0.07 1.99 0.00 0.02 0.00 0.00 175.30 177.28 1ctl h ALA 39 N 13.94 1.39 -1.28 0.00 0.00 -1.85 -1.58 119.26 129.88 1ctl h ALA 39 Ca -0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ctl h ALA 39 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ctl h ALA 39 CO 1.00 0.08 0.00 1.17 0.00 0.00 0.00 179.25 181.50 1ctl n LYS 40 N -3.73 0.00 0.02 0.00 4.81 -1.26 -4.48 118.16 113.52 1ctl n LYS 40 Ca -0.02 0.29 0.12 0.00 -0.87 0.00 0.00 58.31 57.83 1ctl n LYS 40 Cb 0.16 -0.92 0.32 0.00 0.02 0.00 0.00 35.03 34.60 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 1.46 0.53 3.55 0.00 0.00 -0.59 -5.03 105.19 105.11 1ctl n GLY 42 Ca 0.05 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1ctl n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ctl s LYS 43 N -1.65 3.55 -0.35 1.61 -0.14 -1.25 -4.94 119.74 116.57 1ctl s LYS 43 Ca 0.00 -0.17 -0.26 0.00 -1.36 0.00 0.00 55.97 54.18 1ctl s LYS 43 Cb 0.00 -3.84 0.01 0.00 -1.68 0.00 0.00 37.83 32.32 1ctl s LYS 43 CO 0.00 -0.74 0.94 -1.54 -0.76 0.00 0.00 175.35 173.25 1ctl s SER 44 N 1.81 6.73 0.05 2.83 1.04 -1.26 -1.57 113.70 123.33 1ctl s SER 44 Ca 0.21 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1ctl s SER 44 Cb -0.15 -2.47 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 1ctl s SER 44 CO 0.15 -0.82 0.02 0.00 0.98 0.00 0.00 173.24 173.56 1ctl n LEU 45 N 6.70 0.00 -3.85 2.42 -0.00 -0.73 -4.95 117.00 116.59 1ctl n LEU 45 Ca 0.08 -0.39 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 1ctl n LEU 45 Cb 0.48 0.12 0.01 0.00 -0.00 0.00 0.00 43.42 44.03 1ctl n LEU 45 CO 0.57 -0.06 0.97 -1.83 -0.00 0.00 0.00 177.39 177.04 1ctl s GLU 46 N -2.20 0.75 0.00 1.47 -1.05 -1.26 -4.37 118.70 112.05 1ctl s GLU 46 Ca 0.02 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1ctl s GLU 46 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1ctl s GLU 46 CO 0.02 -0.35 0.00 0.45 0.95 0.00 0.00 175.26 176.32 1ctl n SER 47 N -0.94 0.00 -3.18 0.83 2.88 -1.26 -4.79 113.62 107.16 1ctl n SER 47 Ca -0.02 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.30 1ctl n SER 47 Cb 0.60 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.27 1ctl n SER 47 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ctl n THR 48 N 0.00 0.00 -2.51 2.46 -2.24 -1.26 -5.03 114.28 105.70 1ctl n THR 48 Ca 0.00 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 1ctl n THR 48 Cb 0.00 -0.79 0.09 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 -5.00 0.00 -3.19 4.28 -1.04 -1.26 -4.93 114.28 103.14 1ctl n THR 49 Ca 0.10 -1.21 0.00 0.00 -2.04 0.00 0.00 64.05 60.91 1ctl n THR 49 Cb 0.44 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 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 -3.08 -4.42 -0.00 -1.26 -0.07 117.00 108.16 1ctl n LEU 50 Ca 0.13 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.17 1ctl n LEU 50 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1ctl n LEU 50 CO 0.31 0.00 0.26 0.00 -0.00 0.00 0.00 177.39 177.96 1ctl s ALA 51 N -1.56 -3.17 0.89 1.47 0.00 0.15 -4.67 121.76 114.87 1ctl s ALA 51 Ca 0.00 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 1ctl s ALA 51 Cb 0.00 -2.77 0.13 0.00 0.00 0.00 0.00 23.12 20.48 1ctl s ALA 51 CO 0.00 -2.17 1.11 0.16 0.00 0.00 0.00 175.76 174.86 1ctl s ASP 52 N 2.32 3.33 0.00 0.00 -4.77 -1.26 -0.72 116.67 115.57 1ctl s ASP 52 Ca 0.16 1.86 0.00 0.00 -3.30 0.00 0.00 52.55 51.28 1ctl s ASP 52 Cb -0.03 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 1ctl s ASP 52 CO -0.16 -2.79 0.00 1.17 0.70 0.00 0.00 175.17 174.09 1ctl n LYS 53 N -4.01 0.00 0.00 2.11 4.81 0.51 -4.86 118.16 116.73 1ctl n LYS 53 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1ctl n LYS 53 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1ctl n LYS 53 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ctl n ASP 54 N 0.00 0.00 -0.38 3.14 -0.08 -1.26 -0.88 116.55 117.10 1ctl n ASP 54 Ca 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 1ctl n ASP 54 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ctl n GLY 55 N 0.00 0.42 0.55 0.27 0.00 -1.26 -4.67 105.19 100.50 1ctl n GLY 55 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.14 0.13 -3.74 1.61 -0.00 -0.05 -4.99 120.64 113.45 1ctl n GLU 56 Ca 0.01 -0.41 -0.11 0.00 -0.00 0.00 0.00 57.16 56.66 1ctl n GLU 56 Cb 0.66 0.43 -0.06 0.00 -0.00 0.00 0.00 31.44 32.46 1ctl n GLU 56 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1ctl s ILE 57 N -2.61 0.09 0.21 3.84 -4.36 -1.26 -0.36 121.20 116.75 1ctl s ILE 57 Ca 0.04 -0.76 -0.03 0.00 -0.26 0.00 0.00 60.65 59.64 1ctl s ILE 57 Cb -0.00 -1.11 -0.03 0.00 1.25 0.00 0.00 42.46 42.57 1ctl s ILE 57 CO 0.03 -0.42 0.18 -0.31 0.24 0.00 0.00 174.94 174.66 1ctl s TYR 58 N -3.24 1.05 0.39 1.37 1.51 0.10 -3.08 117.35 115.45 1ctl s TYR 58 Ca -0.00 -1.29 0.08 0.00 -1.01 0.00 0.00 57.07 54.85 1ctl s TYR 58 Cb 0.01 -0.45 -0.01 0.00 -0.11 0.00 0.00 41.96 41.40 1ctl s TYR 58 CO -0.08 -0.69 0.41 0.00 -1.11 0.00 0.00 175.55 174.09 1ctl n LYS 60 N -1.59 0.27 0.00 0.00 3.00 0.90 -2.26 118.16 118.48 1ctl n LYS 60 Ca 0.03 0.21 0.02 0.00 -0.00 0.00 0.00 58.31 58.57 1ctl n LYS 60 Cb 0.60 -1.80 0.11 0.00 0.00 0.00 0.00 35.03 33.94 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 1.31 -0.66 0.83 3.14 0.00 -1.26 -0.62 105.19 107.93 1ctl n GLY 61 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.06 0.00 0.00 0.00 3.20 -1.50 0.55 116.97 119.16 1ctl h TYR 63 Ca -0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1ctl h TYR 63 Cb 1.05 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 1ctl h TYR 63 CO -0.01 0.00 -0.18 0.00 -1.64 0.00 0.00 178.16 176.33 1ctl h ALA 64 N 1.96 0.02 0.00 1.82 0.00 -1.02 -2.09 119.26 119.95 1ctl h ALA 64 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ctl h ALA 64 Cb 0.03 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ctl h ALA 64 CO 0.00 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.02 1ctl n LYS 65 N -4.70 0.04 -2.89 0.00 4.01 0.47 -1.64 118.16 113.45 1ctl n LYS 65 Ca -0.05 0.50 -0.13 0.00 -0.51 0.00 0.00 58.31 58.12 1ctl n LYS 65 Cb 0.18 -1.62 0.03 0.00 -0.51 0.00 0.00 35.03 33.10 1ctl n LYS 65 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1ctl n ASN 66 N -1.71 -1.65 -4.57 4.39 3.02 0.16 -5.04 115.26 109.86 1ctl n ASN 66 Ca 0.00 -3.26 -0.40 0.00 -0.03 0.00 0.00 54.58 50.89 1ctl n ASN 66 Cb 0.04 1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 40.24 1ctl n ASN 66 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ctl s PHE 67 N -0.21 1.23 -0.15 3.10 -0.12 -0.65 -3.75 117.98 117.42 1ctl s PHE 67 Ca 0.31 1.03 -0.02 0.00 -0.05 0.00 0.00 56.93 58.19 1ctl s PHE 67 Cb 0.25 -3.81 0.01 0.00 -0.63 0.00 0.00 43.02 38.85 1ctl s PHE 67 CO -0.14 -3.14 0.05 0.41 -0.05 0.00 0.00 175.22 172.35 1ctl n GLY 68 N 5.83 -3.86 3.53 1.99 0.00 -1.26 -4.85 105.19 106.57 1ctl n GLY 68 Ca 0.31 0.38 -0.52 0.00 0.00 0.00 0.00 46.02 46.19 1ctl n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ctl n PRO 69 N 0.57 1.18 -1.60 1.61 -0.02 -1.25 -4.86 135.00 130.64 1ctl n PRO 69 Ca -0.08 0.37 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 1ctl n PRO 69 Cb 0.12 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 1ctl n PRO 69 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ctl s LYS 70 N 5.35 2.27 0.38 -0.52 3.01 -1.26 -4.93 119.74 124.04 1ctl s LYS 70 Ca 1.05 1.43 0.08 0.00 -1.01 0.00 0.00 55.97 57.53 1ctl s LYS 70 Cb -0.91 -4.54 -0.06 0.00 -1.01 0.00 0.00 37.83 31.30 1ctl s LYS 70 CO 0.54 -3.08 0.02 0.20 0.51 0.00 0.00 175.35 173.53 1ctl s GLY 71 N 11.38 2.29 -0.06 -3.33 0.00 -1.26 -4.98 107.32 111.36 1ctl s GLY 71 Ca 0.96 -2.13 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 1ctl s GLY 71 CO 0.27 -2.00 0.08 0.33 0.00 0.00 0.00 173.10 171.78 1ctl n PHE 72 N -0.97 -2.95 -2.26 1.90 -0.00 -1.26 -5.05 117.46 106.87 1ctl n PHE 72 Ca -0.04 1.74 -0.19 0.00 -0.00 0.00 0.00 57.45 58.96 1ctl n PHE 72 Cb 0.65 -3.10 0.11 0.00 -0.00 0.00 0.00 39.48 37.13 1ctl n PHE 72 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ctl n GLY 73 N 1.12 0.00 3.27 7.13 0.00 -1.26 -5.05 105.19 110.40 1ctl n GLY 73 Ca -0.14 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.52 1ctl n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ctl s PHE 74 N -2.58 3.38 0.00 1.61 0.40 -1.26 -4.91 117.98 114.61 1ctl s PHE 74 Ca 0.52 -1.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.24 1ctl s PHE 74 Cb -0.02 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.82 1ctl s PHE 74 CO 0.35 -1.00 0.00 0.41 0.70 0.00 0.00 175.22 175.68 1ctl n GLY 75 N 4.92 1.47 2.80 4.36 0.00 -1.26 -4.41 105.19 113.07 1ctl n GLY 75 Ca -0.08 0.36 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.90 0.00 1.61 -1.52 -1.26 -5.14 119.66 114.24 1ctl s GLN 76 Ca 0.00 -0.23 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 1ctl s GLN 76 Cb 0.00 -1.62 0.00 0.00 -0.22 0.00 0.00 33.01 31.17 1ctl s GLN 76 CO 0.00 -0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.01 1ctl n GLY 77 N 5.04 -2.13 5.07 3.09 0.00 -1.26 -4.43 105.19 110.57 1ctl n GLY 77 Ca -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.00 0.00 -3.00 4.61 0.00 -1.26 -4.72 120.51 113.14 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 2.40 1.17 0.00 0.00 -1.26 -5.10 105.19 102.40 1ctl n GLY 79 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.00 2.80 -0.23 4.61 0.00 -1.26 -4.83 120.51 118.61 1ctl n ALA 80 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1ctl n ALA 80 Cb 0.00 0.27 0.29 0.00 0.00 0.00 0.00 19.45 20.01 1ctl n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ctl n LEU 81 N -2.63 4.08 -3.75 0.00 4.77 -1.26 -4.37 117.00 113.84 1ctl n LEU 81 Ca 0.00 -2.06 -0.19 0.00 -0.03 0.00 0.00 56.01 53.73 1ctl n LEU 81 Cb 0.27 -0.55 -0.17 0.00 -2.33 0.00 0.00 43.42 40.64 1ctl n LEU 81 CO 0.00 0.63 -0.36 0.27 -1.33 0.00 0.00 177.39 176.60 1ctl s ILE 82 N -1.93 0.07 -1.88 -0.08 -4.36 -1.26 -4.84 121.20 106.93 1ctl s ILE 82 Ca 0.41 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 61.03 1ctl s ILE 82 Cb 0.28 -0.24 0.00 0.00 1.25 0.00 0.00 42.46 43.74 1ctl s ILE 82 CO 0.18 0.17 0.00 1.41 0.24 0.00 0.00 174.94 176.94 1ctl n HIS 83 N 4.73 0.00 -3.74 1.37 8.25 -1.26 -4.80 115.22 119.77 1ctl n HIS 83 Ca -0.15 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.03 1ctl n HIS 83 Cb 0.50 -3.11 -0.11 0.00 1.12 0.00 0.00 29.99 28.40 1ctl n HIS 83 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ctl n SER 84 N -1.04 3.13 0.00 0.41 7.64 -1.26 -5.12 113.62 117.39 1ctl n SER 84 Ca -0.18 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.45 1ctl n SER 84 Cb 0.61 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1ctl n SER 84 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70