#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 2.35 -0.62 3.04 0.00 -1.26 -4.97 121.76 120.30 1ctl s ALA 2 Ca 0.00 -1.49 0.13 0.00 0.00 0.00 0.00 51.96 50.61 1ctl s ALA 2 Cb 0.00 -1.41 0.42 0.00 0.00 0.00 0.00 23.12 22.12 1ctl s ALA 2 CO 0.00 -0.91 1.34 1.04 0.00 0.00 0.00 175.76 177.23 1ctl n GLN 3 N 4.55 2.94 -2.37 0.00 6.02 -1.26 -5.04 117.38 122.22 1ctl n GLN 3 Ca -0.16 -2.41 -0.04 0.00 -0.01 0.00 0.00 57.00 54.38 1ctl n GLN 3 Cb 0.45 -1.53 -0.04 0.00 1.02 0.00 0.00 30.24 30.14 1ctl n GLN 3 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ctl n LYS 4 N 0.11 -3.88 -3.93 -1.09 0.00 -1.26 -5.06 118.16 103.05 1ctl n LYS 4 Ca 0.16 2.99 -0.14 0.00 0.00 0.00 0.00 58.31 61.32 1ctl n LYS 4 Cb 0.64 -4.33 -0.15 0.00 0.00 0.00 0.00 35.03 31.19 1ctl n LYS 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ctl s VAL 5 N -0.54 0.11 0.00 3.15 0.11 -1.26 -5.12 120.40 116.85 1ctl s VAL 5 Ca -0.22 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1ctl s VAL 5 Cb 0.01 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.72 1ctl s VAL 5 CO 0.59 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 173.03 1ctl n GLY 6 N 3.39 -3.59 0.24 6.54 0.00 -1.26 -5.14 105.19 105.38 1ctl n GLY 6 Ca -0.17 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.14 -1.89 7.00 -0.02 0.00 -1.26 -5.03 105.19 103.85 1ctl n GLY 7 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.49 -4.02 -0.24 1.61 2.88 -1.26 -4.94 113.62 105.17 1ctl n SER 8 Ca -0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1ctl n SER 8 Cb 0.11 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 1ctl n SER 8 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ctl n ASP 9 N -2.46 -1.43 -4.26 -3.46 -0.08 0.09 -4.50 116.55 100.46 1ctl n ASP 9 Ca 0.00 0.17 -0.21 0.00 -1.51 0.00 0.00 54.79 53.24 1ctl n ASP 9 Cb 0.00 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 42.70 1ctl n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ctl n GLY 10 N -2.77 2.79 2.88 0.27 0.00 -1.26 -1.61 105.19 105.49 1ctl n GLY 10 Ca -0.01 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 1ctl n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctl n PRO 12 N 4.51 0.11 -0.05 0.00 -0.05 -1.26 -1.51 135.00 136.75 1ctl n PRO 12 Ca 0.01 0.61 -0.01 0.00 -0.05 0.00 0.00 63.50 64.06 1ctl n PRO 12 Cb 0.42 -1.86 -0.01 0.00 -0.05 0.00 0.00 33.50 31.99 1ctl n PRO 12 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 1ctl h ARG 13 N 0.00 0.00 0.09 0.54 1.12 -1.90 -3.40 114.38 110.83 1ctl h ARG 13 Ca 0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 59.98 58.50 1ctl h ARG 13 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 1ctl h ARG 13 CO 0.00 0.07 -2.13 0.00 -3.11 0.00 0.00 179.97 174.79 1ctl n GLY 15 N 2.07 3.76 0.57 0.00 0.00 -0.57 -5.13 105.19 105.90 1ctl n GLY 15 Ca -0.36 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 1ctl n GLY 15 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ctl n GLN 16 N 0.00 -2.20 -3.73 1.61 -0.06 -1.22 -4.61 117.38 107.18 1ctl n GLN 16 Ca 0.00 -0.27 -0.14 0.00 -2.00 0.00 0.00 57.00 54.59 1ctl n GLN 16 Cb 0.00 -0.32 -0.08 0.00 -4.06 0.00 0.00 30.24 25.78 1ctl n GLN 16 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ctl s ALA 17 N -2.29 -0.92 0.02 1.69 0.00 -1.26 0.05 121.76 119.05 1ctl s ALA 17 Ca 0.12 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1ctl s ALA 17 Cb -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1ctl s ALA 17 CO 0.10 -0.27 -0.22 0.08 0.00 0.00 0.00 175.76 175.44 1ctl s VAL 18 N -1.24 1.78 -0.03 0.00 1.01 -0.63 -4.89 120.40 116.40 1ctl s VAL 18 Ca -0.13 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 60.75 1ctl s VAL 18 Cb -0.04 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.88 1ctl s VAL 18 CO 0.05 0.34 0.94 0.00 0.00 0.00 0.00 175.10 176.43 1ctl n TYR 19 N 2.09 0.00 0.00 5.22 4.11 -1.26 -0.73 117.16 126.59 1ctl n TYR 19 Ca -0.16 -0.47 0.00 0.00 -0.00 0.00 0.00 57.90 57.26 1ctl n TYR 19 Cb 0.53 -0.06 0.00 0.00 -0.00 0.00 0.00 39.34 39.81 1ctl n TYR 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ctl n ALA 20 N -0.57 0.00 -0.92 -3.48 0.00 -1.26 -4.93 120.51 109.36 1ctl n ALA 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ctl n ALA 20 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.67 -0.04 -0.98 0.00 0.00 -1.26 -4.65 120.51 112.90 1ctl n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ctl n ALA 21 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.63 0.54 -2.31 0.00 -0.58 -1.26 -5.01 120.64 111.40 1ctl n GLU 22 Ca 0.00 -0.81 -0.32 0.00 -0.42 0.00 0.00 57.16 55.61 1ctl n GLU 22 Cb 0.00 -0.62 -0.03 0.00 -0.57 0.00 0.00 31.44 30.22 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 -0.27 3.88 0.33 3.49 0.00 -1.26 0.98 119.74 126.89 1ctl s LYS 23 Ca 0.01 0.94 -0.12 0.00 0.00 0.00 0.00 55.97 56.80 1ctl s LYS 23 Cb 0.01 -2.12 0.02 0.00 0.00 0.00 0.00 37.83 35.74 1ctl s LYS 23 CO 0.00 -0.33 0.61 0.54 0.00 0.00 0.00 175.35 176.17 1ctl s VAL 24 N -2.70 0.00 -0.10 1.79 0.11 0.19 -4.70 120.40 114.99 1ctl s VAL 24 Ca 0.59 -1.28 -0.12 0.00 -2.93 0.00 0.00 61.98 58.24 1ctl s VAL 24 Cb -0.10 -2.54 0.03 0.00 -1.53 0.00 0.00 36.38 32.23 1ctl s VAL 24 CO 0.35 0.00 0.32 0.27 -3.33 0.00 0.00 175.10 172.70 1ctl s ILE 25 N -3.12 0.01 -0.23 7.04 -0.00 -1.26 -2.08 121.20 121.56 1ctl s ILE 25 Ca 0.21 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.65 60.74 1ctl s ILE 25 Cb -0.03 -0.48 0.11 0.00 -0.00 0.00 0.00 42.46 42.07 1ctl s ILE 25 CO 0.13 -0.05 0.28 -0.83 -0.00 0.00 0.00 174.94 174.47 1ctl s GLY 26 N -0.11 -0.15 0.00 6.27 0.00 -0.85 -4.93 107.32 107.55 1ctl s GLY 26 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1ctl s GLY 26 CO 0.01 2.41 0.00 0.00 0.00 0.00 0.00 173.10 175.52 1ctl n ALA 27 N 5.33 0.00 -1.99 3.20 0.00 -1.26 -1.92 120.51 123.87 1ctl n ALA 27 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1ctl n ALA 27 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 1.01 3.38 0.00 0.00 -1.26 -5.07 105.19 103.25 1ctl n GLY 28 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.29 1.40 -0.03 1.61 3.01 -0.81 -5.12 119.74 119.52 1ctl s LYS 29 Ca 0.08 -1.46 0.07 0.00 -1.01 0.00 0.00 55.97 53.66 1ctl s LYS 29 Cb 0.08 -1.62 -0.02 0.00 -1.01 0.00 0.00 37.83 35.27 1ctl s LYS 29 CO -0.02 0.34 -0.25 -1.54 0.51 0.00 0.00 175.35 174.39 1ctl s SER 30 N -2.62 3.10 0.09 2.83 1.04 -1.26 -2.01 113.70 114.87 1ctl s SER 30 Ca 0.18 -0.46 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 1ctl s SER 30 Cb -0.07 -0.44 -0.01 0.00 0.10 0.00 0.00 66.02 65.60 1ctl s SER 30 CO 0.08 0.31 0.16 0.26 0.98 0.00 0.00 173.24 175.03 1ctl s TRP 31 N -0.55 0.24 0.64 5.02 0.52 -0.88 -4.09 118.94 119.84 1ctl s TRP 31 Ca 0.08 -0.69 -0.11 0.00 0.02 0.00 0.00 56.10 55.40 1ctl s TRP 31 Cb -0.11 -0.12 -0.02 0.00 -1.15 0.00 0.00 33.47 32.07 1ctl s TRP 31 CO -0.00 -0.53 1.04 -1.01 0.02 0.00 0.00 176.95 176.47 1ctl s HIS 32 N -3.88 3.53 0.14 -1.98 3.76 -1.26 0.53 115.29 116.13 1ctl s HIS 32 Ca 0.06 1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 55.85 1ctl s HIS 32 Cb 0.05 -2.80 -0.07 0.00 1.11 0.00 0.00 32.58 30.87 1ctl s HIS 32 CO -0.10 -0.82 1.18 -1.59 -0.85 0.00 0.00 174.74 172.56 1ctl s LYS 33 N -5.21 4.49 0.00 1.40 -2.85 0.27 0.98 119.74 118.83 1ctl s LYS 33 Ca 0.56 1.81 0.00 0.00 -1.00 0.00 0.00 55.97 57.34 1ctl s LYS 33 Cb -0.11 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.38 1ctl s LYS 33 CO 0.53 -0.12 0.00 0.45 0.10 0.00 0.00 175.35 176.31 1ctl n SER 34 N 2.99 -3.95 -0.03 0.03 2.88 -1.26 -4.68 113.62 109.60 1ctl n SER 34 Ca 0.06 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1ctl n SER 34 Cb 0.45 -1.62 -0.05 0.00 -0.75 0.00 0.00 64.21 62.25 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 -2.17 1.16 -0.11 0.00 2.19 0.28 -4.89 117.98 114.44 1ctl s PHE 36 Ca -0.03 0.50 0.02 0.00 0.33 0.00 0.00 56.93 57.75 1ctl s PHE 36 Cb 0.02 -3.94 0.01 0.00 -1.31 0.00 0.00 43.02 37.81 1ctl s PHE 36 CO 0.26 -4.16 -0.16 1.03 1.83 0.00 0.00 175.22 174.03 1ctl s ARG 37 N 6.30 2.26 -0.17 10.12 0.52 -1.26 -1.13 118.95 135.59 1ctl s ARG 37 Ca 1.00 -0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 55.35 1ctl s ARG 37 Cb -0.33 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 1ctl s ARG 37 CO 0.35 -0.07 2.08 0.00 0.02 0.00 0.00 175.30 177.68 1ctl n ALA 39 N 10.35 3.26 -0.63 0.00 0.00 -1.20 -1.51 120.51 130.79 1ctl n ALA 39 Ca 0.26 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1ctl n ALA 39 Cb 0.44 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.43 0.00 0.12 0.00 0.00 -1.26 -4.82 118.16 112.63 1ctl n LYS 40 Ca 0.17 0.04 0.07 0.00 0.00 0.00 0.00 58.31 58.58 1ctl n LYS 40 Cb 0.78 -0.28 0.03 0.00 0.00 0.00 0.00 35.03 35.56 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 1.22 1.58 3.37 0.00 0.00 -0.57 -5.08 105.19 105.72 1ctl n GLY 42 Ca -0.01 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.27 3.48 -0.41 1.61 -0.14 -1.21 -4.93 119.74 116.87 1ctl s LYS 43 Ca 0.00 -0.58 -0.29 0.00 -1.36 0.00 0.00 55.97 53.74 1ctl s LYS 43 Cb 0.00 -3.04 0.02 0.00 -1.68 0.00 0.00 37.83 33.13 1ctl s LYS 43 CO 0.00 -0.11 1.18 -1.54 -0.76 0.00 0.00 175.35 174.12 1ctl s SER 44 N 1.28 6.67 0.00 2.83 1.04 -1.26 -0.85 113.70 123.40 1ctl s SER 44 Ca 0.04 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1ctl s SER 44 Cb -0.14 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1ctl s SER 44 CO -0.00 -1.17 0.00 0.00 0.98 0.00 0.00 173.24 173.05 1ctl n LEU 45 N 7.72 0.00 0.00 2.42 -0.00 -0.29 -4.89 117.00 121.96 1ctl n LEU 45 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1ctl n LEU 45 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1ctl n LEU 45 CO 0.68 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 179.28 1ctl n GLU 46 N 0.00 0.00 0.00 1.47 0.00 -1.26 -4.27 120.64 116.58 1ctl n GLU 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ctl n GLU 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ctl n GLU 46 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1ctl n SER 47 N -0.56 0.00 0.00 4.31 3.41 -1.26 -4.06 113.62 115.46 1ctl n SER 47 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ctl n SER 47 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.00 -2.97 6.66 -2.24 -1.26 -5.10 114.28 109.37 1ctl n THR 48 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1ctl n THR 48 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1ctl n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ctl s THR 49 N 0.00 4.83 0.16 4.28 2.01 -1.26 -4.98 115.64 120.67 1ctl s THR 49 Ca 0.00 1.17 0.08 0.00 0.31 0.00 0.00 61.69 63.25 1ctl s THR 49 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1ctl s THR 49 CO 0.00 -0.20 -0.18 -1.48 -0.69 0.00 0.00 174.62 172.06 1ctl s LEU 50 N 2.87 2.42 -0.30 4.42 0.05 -1.26 0.59 118.68 127.46 1ctl s LEU 50 Ca 0.31 -0.84 -0.02 0.00 0.05 0.00 0.00 54.13 53.64 1ctl s LEU 50 Cb -0.14 -0.82 0.12 0.00 -2.05 0.00 0.00 46.19 43.29 1ctl s LEU 50 CO 0.12 -0.03 0.21 0.00 -0.55 0.00 0.00 176.35 176.10 1ctl s ALA 51 N -1.94 0.24 0.31 1.48 0.00 -0.52 -4.95 121.76 116.38 1ctl s ALA 51 Ca 0.14 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 1ctl s ALA 51 Cb -0.06 -1.60 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 1ctl s ALA 51 CO 0.06 -1.77 0.64 0.16 0.00 0.00 0.00 175.76 174.85 1ctl s ASP 52 N 1.99 6.55 0.00 0.00 -4.77 -1.26 -0.00 116.67 119.18 1ctl s ASP 52 Ca 0.11 0.96 0.00 0.00 -3.30 0.00 0.00 52.55 50.32 1ctl s ASP 52 Cb -0.16 -2.24 0.00 0.00 -1.09 0.00 0.00 42.92 39.42 1ctl s ASP 52 CO -0.28 -0.23 0.00 0.29 0.70 0.00 0.00 175.17 175.65 1ctl n LYS 53 N -0.80 0.00 -2.96 2.11 5.02 0.20 -4.81 118.16 116.92 1ctl n LYS 53 Ca 0.01 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1ctl n LYS 53 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.58 1ctl n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ctl n ASP 54 N 0.00 -5.55 0.00 4.39 9.92 -1.26 -1.89 116.55 122.16 1ctl n ASP 54 Ca 0.00 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 53.99 1ctl n ASP 54 Cb 0.00 -4.36 0.00 0.00 -0.64 0.00 0.00 41.12 36.12 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ctl n GLY 55 N -1.46 2.94 0.29 0.44 0.00 -1.26 -5.00 105.19 101.14 1ctl n GLY 55 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1ctl n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ctl n GLU 56 N -2.00 1.18 -3.76 1.61 1.02 -0.79 -4.81 120.64 113.08 1ctl n GLU 56 Ca 0.00 -0.30 -0.10 0.00 -0.02 0.00 0.00 57.16 56.74 1ctl n GLU 56 Cb 0.00 0.14 -0.06 0.00 -0.02 0.00 0.00 31.44 31.50 1ctl n GLU 56 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1ctl s ILE 57 N -1.53 0.11 0.25 -3.67 -4.36 -1.26 0.58 121.20 111.33 1ctl s ILE 57 Ca 0.01 -0.87 0.02 0.00 -0.26 0.00 0.00 60.65 59.56 1ctl s ILE 57 Cb 0.00 -1.19 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 1ctl s ILE 57 CO 0.01 -0.48 0.18 -0.31 0.24 0.00 0.00 174.94 174.58 1ctl s TYR 58 N -3.54 1.41 0.22 1.37 1.51 1.00 -3.22 117.35 116.09 1ctl s TYR 58 Ca 0.02 -1.47 0.07 0.00 -1.01 0.00 0.00 57.07 54.68 1ctl s TYR 58 Cb 0.03 -0.65 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1ctl s TYR 58 CO -0.10 -0.70 0.12 0.00 -1.11 0.00 0.00 175.55 173.77 1ctl h LYS 60 N 1.94 0.00 0.00 0.00 5.09 -0.14 0.74 116.57 124.19 1ctl h LYS 60 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1ctl h LYS 60 Cb 1.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.56 1ctl h LYS 60 CO 0.61 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.38 1ctl n GLY 61 N -1.39 -0.58 0.48 0.07 0.00 -1.26 -0.43 105.19 102.08 1ctl n GLY 61 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.03 0.00 0.03 0.00 3.20 -1.34 0.92 116.97 119.76 1ctl h TYR 63 Ca -0.04 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.47 1ctl h TYR 63 Cb 1.05 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 1ctl h TYR 63 CO -0.00 0.00 -2.04 0.00 -1.64 0.00 0.00 178.16 174.48 1ctl n ALA 64 N -2.01 1.05 0.25 1.82 0.00 0.42 -3.38 120.51 118.67 1ctl n ALA 64 Ca -0.02 -0.81 0.08 0.00 0.00 0.00 0.00 53.44 52.69 1ctl n ALA 64 Cb 0.07 -0.31 0.63 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.54 0.00 -0.88 0.00 3.11 -0.91 0.25 116.57 117.60 1ctl h LYS 65 Ca -0.51 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 56.84 1ctl h LYS 65 Cb 1.69 0.00 -0.27 0.00 -1.00 0.00 0.00 32.23 32.64 1ctl h LYS 65 CO -0.17 0.06 0.52 -1.71 -2.81 0.00 0.00 179.45 175.33 1ctl n ASN 66 N -4.38 4.35 -3.32 4.20 4.05 0.28 -4.65 115.26 115.79 1ctl n ASN 66 Ca -0.03 -3.69 0.03 0.00 0.45 0.00 0.00 54.58 51.34 1ctl n ASN 66 Cb 0.14 -0.81 -0.03 0.00 1.23 0.00 0.00 39.78 40.31 1ctl n ASN 66 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1ctl s PHE 67 N -3.41 -0.98 0.00 1.20 0.08 0.87 -4.97 117.98 110.78 1ctl s PHE 67 Ca 0.56 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.97 1ctl s PHE 67 Cb 0.47 0.46 0.00 0.00 -0.57 0.00 0.00 43.02 43.38 1ctl s PHE 67 CO 0.06 -0.51 0.00 0.41 -0.10 0.00 0.00 175.22 175.08 1ctl n GLY 68 N 5.28 3.54 3.52 4.36 0.00 -1.26 -4.71 105.19 115.93 1ctl n GLY 68 Ca -0.07 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.57 -0.78 1.61 -0.02 -1.26 -4.95 135.00 130.17 1ctl n PRO 69 Ca 0.00 0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1ctl n PRO 69 Cb 0.00 -1.92 0.25 0.00 -0.02 0.00 0.00 33.50 31.81 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 -2.56 -1.57 0.73 -0.52 1.02 -1.26 -4.95 119.74 110.63 1ctl s LYS 70 Ca 0.71 0.20 -0.13 0.00 0.02 0.00 0.00 55.97 56.76 1ctl s LYS 70 Cb -0.40 -1.53 0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1ctl s LYS 70 CO 0.52 -4.00 1.13 0.20 -0.92 0.00 0.00 175.35 172.29 1ctl s GLY 71 N -3.39 2.04 1.33 -3.33 0.00 -1.26 -5.00 107.32 97.70 1ctl s GLY 71 Ca 0.69 0.57 -0.22 0.00 0.00 0.00 0.00 44.72 45.76 1ctl s GLY 71 CO 0.58 0.94 0.84 1.97 0.00 0.00 0.00 173.10 177.43 1ctl n PHE 72 N -2.96 -3.71 0.00 1.90 -1.74 -1.26 -5.04 117.46 104.66 1ctl n PHE 72 Ca 0.11 -0.79 0.00 0.00 -0.56 0.00 0.00 57.45 56.21 1ctl n PHE 72 Cb 0.52 -1.14 0.00 0.00 1.52 0.00 0.00 39.48 40.38 1ctl n PHE 72 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ctl n GLY 73 N -5.17 0.10 3.15 4.97 0.00 -1.26 -5.05 105.19 101.93 1ctl n GLY 73 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ctl n GLY 73 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ctl s PHE 74 N 0.00 -1.61 -0.70 1.61 -0.71 -1.26 -5.00 117.98 110.31 1ctl s PHE 74 Ca 0.00 0.31 -0.02 0.00 -1.04 0.00 0.00 56.93 56.18 1ctl s PHE 74 Cb 0.00 0.24 0.37 0.00 -1.21 0.00 0.00 43.02 42.42 1ctl s PHE 74 CO 0.00 -1.14 2.09 0.41 -1.34 0.00 0.00 175.22 175.24 1ctl n GLY 75 N 4.61 5.50 0.00 1.99 0.00 -1.26 -4.59 105.19 111.44 1ctl n GLY 75 Ca 0.10 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1ctl n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctl n GLN 76 N -0.55 0.00 0.00 1.61 10.64 -1.26 -5.11 117.38 122.71 1ctl n GLN 76 Ca 0.56 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1ctl n GLN 76 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 1ctl n GLN 76 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ctl n GLY 77 N 0.00 1.54 3.82 2.61 0.00 -1.26 -4.79 105.19 107.11 1ctl n GLY 77 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.00 3.70 0.00 4.61 0.00 -1.26 -5.06 121.76 122.75 1ctl s ALA 78 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1ctl s ALA 78 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1ctl s ALA 78 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1ctl n GLY 79 N 1.49 0.71 3.57 0.00 0.00 -1.26 -4.91 105.19 104.78 1ctl n GLY 79 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.01 2.71 0.27 4.61 0.00 -1.26 -4.96 121.76 120.13 1ctl s ALA 80 Ca 0.00 -2.36 0.08 0.00 0.00 0.00 0.00 51.96 49.68 1ctl s ALA 80 Cb 0.00 -4.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.51 1ctl s ALA 80 CO 0.00 -3.76 0.15 -1.17 0.00 0.00 0.00 175.76 170.98 1ctl s LEU 81 N 5.71 3.58 -0.11 0.00 1.98 -1.26 -5.12 118.68 123.46 1ctl s LEU 81 Ca 0.52 -0.43 -0.20 0.00 -2.89 0.00 0.00 54.13 51.14 1ctl s LEU 81 Cb 0.00 -2.11 -0.04 0.00 0.66 0.00 0.00 46.19 44.70 1ctl s LEU 81 CO -0.02 -0.09 0.54 -0.51 -1.89 0.00 0.00 176.35 174.37 1ctl s ILE 82 N -2.23 5.14 0.07 6.68 2.07 -1.26 -4.99 121.20 126.68 1ctl s ILE 82 Ca 0.34 1.10 -0.26 0.00 -1.41 0.00 0.00 60.65 60.41 1ctl s ILE 82 Cb -0.07 -3.88 -0.17 0.00 0.13 0.00 0.00 42.46 38.47 1ctl s ILE 82 CO 0.24 0.30 1.64 -0.74 -1.91 0.00 0.00 174.94 174.46 1ctl h HIS 83 N 6.77 -0.28 -3.15 3.50 -0.00 -2.01 -3.45 115.15 116.52 1ctl h HIS 83 Ca -0.41 -0.01 -0.46 0.00 -0.00 0.00 0.00 60.37 59.50 1ctl h HIS 83 Cb 1.18 0.09 0.14 0.00 -0.00 0.00 0.00 27.41 28.82 1ctl h HIS 83 CO 0.63 -0.13 0.30 -1.54 -0.00 0.00 0.00 177.93 177.19 1ctl s SER 84 N -4.97 3.46 0.00 3.26 1.04 -1.26 -5.33 113.70 109.90 1ctl s SER 84 Ca -0.15 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1ctl s SER 84 Cb 0.05 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1ctl s SER 84 CO 0.64 -2.48 0.00 1.67 0.98 0.00 0.00 173.24 174.05