#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 -3.56 -2.39 3.17 0.00 -1.26 -4.61 120.51 111.86 1ctl n ALA 2 Ca 0.00 0.58 -0.39 0.00 0.00 0.00 0.00 53.44 53.63 1ctl n ALA 2 Cb 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.84 3.06 -0.21 0.00 2.00 -1.26 -4.89 119.66 115.52 1ctl s GLN 3 Ca 0.00 -0.14 -0.36 0.00 -2.00 0.00 0.00 55.36 52.86 1ctl s GLN 3 Cb 0.00 -4.44 0.15 0.00 0.80 0.00 0.00 33.01 29.52 1ctl s GLN 3 CO 0.00 -2.39 1.36 0.15 -0.50 0.00 0.00 175.29 173.91 1ctl s LYS 4 N 6.06 0.10 -1.57 1.67 1.02 -1.26 -5.00 119.74 120.75 1ctl s LYS 4 Ca 0.47 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1ctl s LYS 4 Cb -0.08 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1ctl s LYS 4 CO 0.12 -0.04 0.00 0.28 -0.92 0.00 0.00 175.35 174.79 1ctl n VAL 5 N -0.16 0.00 -3.80 3.17 0.31 -1.26 -4.76 118.33 111.83 1ctl n VAL 5 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1ctl n VAL 5 Cb 0.59 -1.56 -0.01 0.00 -0.91 0.00 0.00 33.84 31.95 1ctl n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ctl n GLY 6 N -1.08 2.03 7.00 2.92 0.00 -1.26 -5.04 105.19 109.76 1ctl n GLY 6 Ca -0.15 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.40 0.64 3.72 -0.02 0.00 -1.26 -4.55 105.19 103.31 1ctl n GLY 7 Ca -0.02 0.55 -0.33 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.00 3.86 -0.00 1.61 1.04 -1.26 -4.91 113.70 110.03 1ctl s SER 8 Ca 0.00 2.19 -0.28 0.00 0.48 0.00 0.00 55.95 58.34 1ctl s SER 8 Cb 0.00 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.64 1ctl s SER 8 CO 0.00 -2.48 0.75 -0.62 0.98 0.00 0.00 173.24 171.87 1ctl s ASP 9 N -2.51 -0.53 0.43 7.02 -1.08 -0.95 -4.75 116.67 114.30 1ctl s ASP 9 Ca 0.69 0.33 0.04 0.00 -0.52 0.00 0.00 52.55 53.09 1ctl s ASP 9 Cb -0.24 0.49 -0.05 0.00 -1.46 0.00 0.00 42.92 41.65 1ctl s ASP 9 CO 0.51 -0.67 0.03 -0.83 0.52 0.00 0.00 175.17 174.73 1ctl s GLY 10 N -1.86 2.62 -0.28 2.66 0.00 -1.26 -0.08 107.32 109.12 1ctl s GLY 10 Ca -0.03 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1ctl s GLY 10 CO -0.01 -2.06 0.04 0.00 0.00 0.00 0.00 173.10 171.06 1ctl n PRO 12 N 4.73 0.07 -0.03 0.00 -0.02 -1.25 -1.56 135.00 136.94 1ctl n PRO 12 Ca -0.05 0.54 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1ctl n PRO 12 Cb 0.43 -1.72 -0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1ctl n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ctl h ARG 13 N 0.00 0.00 0.00 -0.52 2.47 -1.91 -3.40 114.38 111.02 1ctl h ARG 13 Ca 0.00 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 1ctl h ARG 13 Cb 0.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 1ctl h ARG 13 CO 0.00 0.00 -1.18 0.00 0.56 0.00 0.00 179.97 179.35 1ctl n GLY 15 N 1.39 1.02 3.74 0.00 0.00 -0.60 -5.08 105.19 105.65 1ctl n GLY 15 Ca -0.06 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1ctl n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ctl s GLN 16 N 0.00 2.61 -0.03 1.61 2.00 -1.24 -4.71 119.66 119.90 1ctl s GLN 16 Ca 0.00 1.93 0.05 0.00 -2.00 0.00 0.00 55.36 55.34 1ctl s GLN 16 Cb 0.00 -1.87 -0.03 0.00 0.80 0.00 0.00 33.01 31.91 1ctl s GLN 16 CO 0.00 -1.52 -0.17 0.00 -0.50 0.00 0.00 175.29 173.11 1ctl s ALA 17 N -1.57 2.56 -0.11 1.58 0.00 -1.26 -0.17 121.76 122.80 1ctl s ALA 17 Ca 0.79 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 1ctl s ALA 17 Cb -0.34 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1ctl s ALA 17 CO 0.39 0.55 0.10 0.08 0.00 0.00 0.00 175.76 176.87 1ctl s VAL 18 N -0.73 5.11 0.00 0.00 1.01 0.89 -4.93 120.40 121.74 1ctl s VAL 18 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1ctl s VAL 18 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1ctl s VAL 18 CO 0.01 0.61 0.00 0.00 0.00 0.00 0.00 175.10 175.72 1ctl n TYR 19 N 2.00 0.00 0.09 5.22 0.18 -1.26 -2.24 117.16 121.15 1ctl n TYR 19 Ca -0.19 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.63 1ctl n TYR 19 Cb 0.54 0.00 0.20 0.00 -0.38 0.00 0.00 39.34 39.70 1ctl n TYR 19 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ctl n ALA 20 N -2.40 1.07 -2.57 -3.48 0.00 -1.26 -4.80 120.51 107.08 1ctl n ALA 20 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 1ctl n ALA 20 Cb 0.47 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.59 -3.58 -1.44 0.00 0.00 -1.26 -4.97 120.51 107.67 1ctl n ALA 21 Ca -0.00 1.40 0.04 0.00 0.00 0.00 0.00 53.44 54.88 1ctl n ALA 21 Cb 0.03 -2.75 0.20 0.00 0.00 0.00 0.00 19.45 16.93 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 1.13 1.68 -3.25 0.00 4.07 -1.26 -5.07 120.64 117.93 1ctl n GLU 22 Ca -0.20 -3.13 -0.38 0.00 -0.06 0.00 0.00 57.16 53.38 1ctl n GLU 22 Cb 0.32 -1.66 -0.06 0.00 -0.06 0.00 0.00 31.44 29.98 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 -3.16 4.36 0.43 5.31 0.00 -1.26 -2.97 119.74 122.45 1ctl s LYS 23 Ca 0.39 0.55 0.03 0.00 0.00 0.00 0.00 55.97 56.94 1ctl s LYS 23 Cb 0.36 -3.44 0.08 0.00 0.00 0.00 0.00 37.83 34.84 1ctl s LYS 23 CO -0.03 0.14 0.59 1.33 0.00 0.00 0.00 175.35 177.38 1ctl n VAL 24 N 3.68 0.00 -3.89 1.79 0.24 0.60 -4.90 118.33 115.85 1ctl n VAL 24 Ca -0.06 -1.13 -0.10 0.00 -2.04 0.00 0.00 64.34 61.01 1ctl n VAL 24 Cb 0.52 -0.89 -0.09 0.00 -1.47 0.00 0.00 33.84 31.90 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 -1.66 0.11 -0.29 1.34 -0.00 -1.26 -1.97 121.20 117.47 1ctl s ILE 25 Ca 0.42 -0.87 -0.23 0.00 -0.00 0.00 0.00 60.65 59.96 1ctl s ILE 25 Cb -0.03 -0.66 0.18 0.00 -0.00 0.00 0.00 42.46 41.95 1ctl s ILE 25 CO 0.27 -0.48 1.29 -0.83 -0.00 0.00 0.00 174.94 175.19 1ctl s GLY 26 N -1.76 0.27 -0.90 6.27 0.00 -0.80 -4.95 107.32 105.45 1ctl s GLY 26 Ca -0.10 3.37 0.00 0.00 0.00 0.00 0.00 44.72 47.99 1ctl s GLY 26 CO -0.01 2.09 0.00 0.00 0.00 0.00 0.00 173.10 175.18 1ctl n ALA 27 N 2.10 -0.13 0.00 3.20 0.00 -1.26 0.58 120.51 125.00 1ctl n ALA 27 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ctl n ALA 27 Cb 0.57 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.13 2.24 3.58 0.00 0.00 -1.26 -4.78 105.19 105.10 1ctl n GLY 28 Ca -0.08 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.03 -0.04 1.61 1.02 0.20 -5.05 119.74 117.44 1ctl s LYS 29 Ca 0.00 1.08 -0.01 0.00 0.02 0.00 0.00 55.97 57.06 1ctl s LYS 29 Cb 0.00 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.70 1ctl s LYS 29 CO 0.00 -3.20 0.02 -1.12 -0.92 0.00 0.00 175.35 170.13 1ctl s SER 30 N -2.67 0.93 0.27 2.83 0.01 -1.26 -1.91 113.70 111.90 1ctl s SER 30 Ca 0.67 -0.01 0.11 0.00 1.31 0.00 0.00 55.95 58.04 1ctl s SER 30 Cb -0.23 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 1ctl s SER 30 CO 0.61 -0.17 -0.14 0.26 0.41 0.00 0.00 173.24 174.22 1ctl s TRP 31 N 1.61 2.43 0.55 2.43 0.52 -0.83 -3.87 118.94 121.77 1ctl s TRP 31 Ca -0.02 -0.29 -0.14 0.00 0.02 0.00 0.00 56.10 55.67 1ctl s TRP 31 Cb -0.13 -1.07 -0.06 0.00 -1.15 0.00 0.00 33.47 31.06 1ctl s TRP 31 CO -0.03 0.68 0.98 -1.01 0.02 0.00 0.00 176.95 177.59 1ctl s HIS 32 N -2.40 3.52 -0.53 -1.98 3.76 -1.26 -0.30 115.29 116.10 1ctl s HIS 32 Ca 0.30 1.36 0.13 0.00 -0.15 0.00 0.00 55.06 56.70 1ctl s HIS 32 Cb -0.06 -2.73 0.69 0.00 1.11 0.00 0.00 32.58 31.59 1ctl s HIS 32 CO 0.16 -0.47 1.39 0.36 -0.85 0.00 0.00 174.74 175.33 1ctl n LYS 33 N -2.01 0.08 -0.10 1.40 2.85 -1.16 -0.34 118.16 118.88 1ctl n LYS 33 Ca 0.06 0.58 0.07 0.00 -1.05 0.00 0.00 58.31 57.97 1ctl n LYS 33 Cb 0.54 -1.77 0.10 0.00 -0.65 0.00 0.00 35.03 33.25 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 -1.94 2.01 -1.59 -5.58 2.88 -1.26 -4.20 113.62 103.93 1ctl n SER 34 Ca -0.01 -2.77 -0.02 0.00 -1.33 0.00 0.00 58.87 54.74 1ctl n SER 34 Cb 0.02 -0.33 0.09 0.00 -0.75 0.00 0.00 64.21 63.24 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 -2.56 2.62 -0.09 0.00 2.19 -1.19 -4.72 117.98 114.23 1ctl s PHE 36 Ca 0.38 -2.49 0.02 0.00 0.33 0.00 0.00 56.93 55.16 1ctl s PHE 36 Cb 0.37 -2.29 0.02 0.00 -1.31 0.00 0.00 43.02 39.81 1ctl s PHE 36 CO -0.07 -0.86 -0.12 0.50 1.83 0.00 0.00 175.22 176.51 1ctl s ARG 37 N 0.83 1.80 -0.19 10.12 3.52 -1.26 -1.84 118.95 131.93 1ctl s ARG 37 Ca 0.13 -0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 1ctl s ARG 37 Cb -0.21 -1.57 -0.06 0.00 -1.56 0.00 0.00 34.95 31.55 1ctl s ARG 37 CO -0.10 -0.06 2.19 0.00 -0.81 0.00 0.00 175.30 176.51 1ctl h ALA 39 N 14.25 1.16 -1.51 0.00 0.00 -1.83 -1.29 119.26 130.04 1ctl h ALA 39 Ca -0.41 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ctl h ALA 39 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ctl h ALA 39 CO 0.96 0.19 0.00 1.17 0.00 0.00 0.00 179.25 181.57 1ctl n LYS 40 N -3.51 0.00 0.10 0.00 0.00 -1.26 -4.47 118.16 109.02 1ctl n LYS 40 Ca -0.01 0.25 0.12 0.00 0.00 0.00 0.00 58.31 58.67 1ctl n LYS 40 Cb 0.31 -0.99 0.14 0.00 0.00 0.00 0.00 35.03 34.49 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 1.25 0.66 3.72 0.00 0.00 -0.49 -5.07 105.19 105.26 1ctl n GLY 42 Ca 0.03 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.10 4.18 -0.17 1.61 3.01 -1.23 -4.94 119.74 121.09 1ctl s LYS 43 Ca 0.00 -0.17 -0.29 0.00 -1.01 0.00 0.00 55.97 54.49 1ctl s LYS 43 Cb 0.00 -3.44 -0.00 0.00 -1.01 0.00 0.00 37.83 33.37 1ctl s LYS 43 CO 0.00 0.24 1.09 -1.54 0.51 0.00 0.00 175.35 175.65 1ctl s SER 44 N 0.51 7.10 0.15 2.83 1.04 -1.26 -1.64 113.70 122.43 1ctl s SER 44 Ca 0.09 1.52 -0.00 0.00 0.48 0.00 0.00 55.95 58.04 1ctl s SER 44 Cb -0.12 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ctl s SER 44 CO 0.00 -0.63 0.20 0.00 0.98 0.00 0.00 173.24 173.79 1ctl n LEU 45 N 5.96 0.00 -2.74 2.42 -0.00 -0.76 -4.94 117.00 116.94 1ctl n LEU 45 Ca 0.11 -1.26 -0.07 0.00 -0.00 0.00 0.00 56.01 54.79 1ctl n LEU 45 Cb 0.46 1.04 0.05 0.00 -0.00 0.00 0.00 43.42 44.97 1ctl n LEU 45 CO 0.53 -0.28 0.26 -1.84 -0.00 0.00 0.00 177.39 176.06 1ctl n GLU 46 N -0.26 0.63 -0.40 1.47 -0.00 -1.26 -4.37 120.64 116.46 1ctl n GLU 46 Ca 0.01 -1.59 0.00 0.00 -0.00 0.00 0.00 57.16 55.58 1ctl n GLU 46 Cb 0.26 -1.23 0.00 0.00 -0.00 0.00 0.00 31.44 30.46 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 1.83 0.00 0.08 -1.84 7.64 -1.26 -4.96 113.62 115.11 1ctl n SER 47 Ca 0.09 -0.53 0.09 0.00 1.01 0.00 0.00 58.87 59.54 1ctl n SER 47 Cb 0.63 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.24 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 -0.66 0.97 -3.86 0.44 5.66 -1.26 -4.67 114.28 110.90 1ctl n THR 48 Ca 0.00 0.30 -0.13 0.00 -3.05 0.00 0.00 64.05 61.16 1ctl n THR 48 Cb 0.00 -1.18 -0.15 0.00 -1.55 0.00 0.00 70.33 67.45 1ctl n THR 48 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1ctl s THR 49 N -3.21 0.02 0.12 1.09 2.01 -1.26 -5.04 115.64 109.36 1ctl s THR 49 Ca 0.04 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 1ctl s THR 49 Cb 0.08 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.49 1ctl s THR 49 CO 0.31 0.04 0.01 -1.48 -0.69 0.00 0.00 174.62 172.81 1ctl s LEU 50 N 0.39 2.10 -0.56 4.42 2.34 -1.26 0.59 118.68 126.69 1ctl s LEU 50 Ca -0.03 -1.13 0.06 0.00 0.06 0.00 0.00 54.13 53.08 1ctl s LEU 50 Cb -0.05 0.16 0.21 0.00 -0.56 0.00 0.00 46.19 45.94 1ctl s LEU 50 CO -0.01 -0.64 0.53 0.00 -1.06 0.00 0.00 176.35 175.18 1ctl n ALA 51 N -0.07 3.28 -1.71 1.48 0.00 0.17 -4.89 120.51 118.77 1ctl n ALA 51 Ca -0.08 -4.06 -0.35 0.00 0.00 0.00 0.00 53.44 48.95 1ctl n ALA 51 Cb 0.63 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 19.20 1ctl n ALA 51 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ctl s ASP 52 N -1.33 5.50 0.00 0.00 1.47 -1.26 -0.83 116.67 120.21 1ctl s ASP 52 Ca 0.33 2.17 0.00 0.00 1.18 0.00 0.00 52.55 56.23 1ctl s ASP 52 Cb 0.07 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 40.07 1ctl s ASP 52 CO -0.12 -1.37 0.00 1.17 0.68 0.00 0.00 175.17 175.52 1ctl n LYS 53 N -1.60 0.00 -1.75 2.11 3.00 0.19 -4.84 118.16 115.28 1ctl n LYS 53 Ca 0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.23 1ctl n LYS 53 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.47 1ctl n LYS 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ctl n ASP 54 N 0.00 -5.46 0.00 3.14 5.75 -1.26 -1.59 116.55 117.13 1ctl n ASP 54 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1ctl n ASP 54 Cb 0.00 -4.66 0.00 0.00 -1.03 0.00 0.00 41.12 35.43 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ctl n GLY 55 N -0.63 2.72 0.52 6.12 0.00 -1.26 -5.04 105.19 107.62 1ctl n GLY 55 Ca -0.21 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.12 -3.91 1.61 0.00 -0.62 -4.93 120.64 113.91 1ctl n GLU 56 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 57.16 56.63 1ctl n GLU 56 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 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 0.17 0.05 0.27 3.84 -4.36 -1.26 0.57 121.20 120.48 1ctl s ILE 57 Ca 0.07 -1.24 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 1ctl s ILE 57 Cb -0.01 -1.78 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 1ctl s ILE 57 CO 0.04 -0.25 0.09 -0.31 0.24 0.00 0.00 174.94 174.76 1ctl s TYR 58 N -3.95 1.59 0.18 1.37 1.51 -0.01 -2.81 117.35 115.22 1ctl s TYR 58 Ca 0.15 -1.16 0.05 0.00 -1.01 0.00 0.00 57.07 55.10 1ctl s TYR 58 Cb 0.02 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1ctl s TYR 58 CO -0.01 -0.30 0.17 0.00 -1.11 0.00 0.00 175.55 174.30 1ctl h LYS 60 N 2.19 0.00 0.00 0.00 3.11 -0.21 0.11 116.57 121.77 1ctl h LYS 60 Ca -0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 1ctl h LYS 60 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1ctl h LYS 60 CO 0.63 0.02 0.00 0.41 -2.81 0.00 0.00 179.45 177.70 1ctl n GLY 61 N -1.04 -0.67 0.51 5.01 0.00 -1.26 -1.34 105.19 106.40 1ctl n GLY 61 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.04 0.00 0.00 0.00 3.20 -1.40 0.48 116.97 119.21 1ctl h TYR 63 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1ctl h TYR 63 Cb 1.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.33 1ctl h TYR 63 CO -0.00 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.52 1ctl n ALA 64 N -1.79 0.00 0.12 1.82 0.00 -0.45 -4.53 120.51 115.68 1ctl n ALA 64 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1ctl n ALA 64 Cb 0.04 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.82 1ctl n ALA 64 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ctl n LYS 65 N -2.31 0.08 0.13 0.00 5.02 -0.66 -1.31 118.16 119.10 1ctl n LYS 65 Ca 0.00 0.55 -0.14 0.00 -2.02 0.00 0.00 58.31 56.70 1ctl n LYS 65 Cb 0.00 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 1ctl n LYS 65 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1ctl h ASN 66 N 0.00 -0.23 0.00 4.39 -0.73 -1.13 -3.44 115.58 114.44 1ctl h ASN 66 Ca 0.00 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1ctl h ASN 66 Cb 0.03 0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1ctl h ASN 66 CO 0.00 -0.11 0.00 0.33 -0.37 0.00 0.00 177.43 177.28 1ctl n PHE 67 N -5.18 0.00 0.00 0.67 7.35 -0.43 -3.79 117.46 116.08 1ctl n PHE 67 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 1ctl n PHE 67 Cb 0.15 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.98 1ctl n PHE 67 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ctl n GLY 68 N 0.00 -1.08 0.34 7.13 0.00 -1.26 -5.08 105.19 105.23 1ctl n GLY 68 Ca 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 1ctl n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ctl h PRO 69 N 0.00 1.17 -3.13 1.61 0.13 -1.94 -3.49 132.00 126.34 1ctl h PRO 69 Ca 0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1ctl h PRO 69 Cb 0.00 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 30.88 1ctl h PRO 69 CO 0.00 0.81 -0.77 1.63 -0.23 0.00 0.00 178.00 179.44 1ctl n LYS 70 N -4.43 -3.83 0.00 0.86 5.02 -1.26 -5.10 118.16 109.42 1ctl n LYS 70 Ca 0.09 2.86 0.00 0.00 -2.02 0.00 0.00 58.31 59.24 1ctl n LYS 70 Cb 0.05 -3.25 0.00 0.00 -0.02 0.00 0.00 35.03 31.81 1ctl n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ctl n GLY 71 N -1.05 1.32 0.92 0.72 0.00 -1.26 -5.07 105.19 100.77 1ctl n GLY 71 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.69 -0.37 0.00 1.61 7.35 -1.26 -5.17 117.46 117.93 1ctl n PHE 72 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ctl n PHE 72 Cb 0.00 0.23 0.00 0.00 0.35 0.00 0.00 39.48 40.06 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 0.54 2.05 1.13 7.13 0.00 -1.26 -4.93 105.19 109.85 1ctl n GLY 73 Ca 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 1ctl n GLY 73 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ctl n PHE 74 N 2.24 1.03 -2.12 1.61 7.35 -1.26 -4.94 117.46 121.37 1ctl n PHE 74 Ca 0.00 -1.59 -0.30 0.00 -0.76 0.00 0.00 57.45 54.81 1ctl n PHE 74 Cb 0.00 -0.48 -0.05 0.00 0.35 0.00 0.00 39.48 39.30 1ctl n PHE 74 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1ctl s GLY 75 N -2.56 0.32 0.23 7.13 0.00 -1.26 -4.63 107.32 106.55 1ctl s GLY 75 Ca 0.44 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1ctl s GLY 75 CO -0.01 3.47 0.00 -1.06 0.00 0.00 0.00 173.10 175.50 1ctl n GLN 76 N 8.31 -2.72 0.00 2.90 1.13 -1.26 -5.10 117.38 120.64 1ctl n GLN 76 Ca 0.45 1.98 0.00 0.00 -1.94 0.00 0.00 57.00 57.49 1ctl n GLN 76 Cb 0.47 -2.19 0.00 0.00 0.11 0.00 0.00 30.24 28.62 1ctl n GLN 76 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ctl n GLY 77 N -0.22 3.95 3.55 1.08 0.00 -1.26 -4.98 105.19 107.32 1ctl n GLY 77 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1ctl n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl s ALA 78 N -0.55 1.61 0.32 4.61 0.00 -1.26 -4.92 121.76 121.57 1ctl s ALA 78 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.37 1ctl s ALA 78 Cb 0.00 -4.42 -0.06 0.00 0.00 0.00 0.00 23.12 18.64 1ctl s ALA 78 CO 0.00 -4.66 0.07 0.20 0.00 0.00 0.00 175.76 171.37 1ctl s GLY 79 N 9.97 2.08 0.00 0.00 0.00 -1.26 -5.17 107.32 112.94 1ctl s GLY 79 Ca 0.82 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1ctl s GLY 79 CO 0.16 -1.80 0.00 0.00 0.00 0.00 0.00 173.10 171.46 1ctl n ALA 80 N -0.68 0.00 -1.40 3.20 0.00 -1.26 -5.12 120.51 115.25 1ctl n ALA 80 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ctl n ALA 80 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 0.00 0.14 0.00 4.77 -1.26 -5.06 117.00 115.59 1ctl n LEU 81 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ctl n LEU 81 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ctl n LEU 81 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.68 1ctl n ILE 82 N 0.00 0.01 0.00 -0.08 2.08 -1.26 -5.09 119.36 115.02 1ctl n ILE 82 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ctl n ILE 82 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 39.64 38.39 1ctl n ILE 82 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1ctl n HIS 83 N -3.47 0.00 -3.56 1.39 -0.00 -1.26 -5.14 115.22 103.18 1ctl n HIS 83 Ca 0.00 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.92 1ctl n HIS 83 Cb 0.00 0.10 -0.02 0.00 -0.12 0.00 0.00 29.99 29.95 1ctl n HIS 83 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1ctl s SER 84 N -0.66 6.36 0.00 0.26 0.15 -1.26 -5.22 113.70 113.33 1ctl s SER 84 Ca 0.00 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1ctl s SER 84 Cb 0.00 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1ctl s SER 84 CO 0.00 -0.16 0.00 0.00 1.20 0.00 0.00 173.24 174.28