#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 0.00 -0.61 -5.12 0.00 -1.26 -4.89 120.51 108.63 1ctl n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ctl n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ctl n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ctl n GLN 3 N -1.20 0.00 0.00 0.00 10.64 -1.26 -4.90 117.38 120.66 1ctl n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1ctl n GLN 3 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1ctl n GLN 3 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1ctl n LYS 4 N 0.00 0.00 -0.01 2.61 4.76 -1.26 -4.38 118.16 119.88 1ctl n LYS 4 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 1ctl n LYS 4 Cb 0.00 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.03 1ctl n LYS 4 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1ctl n VAL 5 N -1.76 0.00 0.00 -0.18 3.14 -1.26 -4.92 118.33 113.35 1ctl n VAL 5 Ca 0.00 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1ctl n VAL 5 Cb 0.00 0.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.88 1ctl n VAL 5 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ctl n GLY 6 N 1.34 -0.23 2.72 7.55 0.00 -1.26 -5.08 105.19 110.23 1ctl n GLY 6 Ca -0.03 0.78 -0.31 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 5.82 5.08 -0.02 0.00 -1.26 -4.97 105.19 109.84 1ctl n GLY 7 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.32 1ctl n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ctl n SER 8 N -0.36 0.00 -1.37 1.61 7.64 -1.26 -4.41 113.62 115.47 1ctl n SER 8 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1ctl n SER 8 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1ctl n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ctl n ASP 9 N 1.44 -0.19 -3.75 6.43 -0.08 -0.93 -5.06 116.55 114.41 1ctl n ASP 9 Ca 0.00 -1.07 -0.10 0.00 -1.51 0.00 0.00 54.79 52.12 1ctl n ASP 9 Cb 0.00 0.31 -0.04 0.00 2.34 0.00 0.00 41.12 43.73 1ctl n ASP 9 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1ctl s GLY 10 N -2.59 0.60 -0.25 0.27 0.00 -1.26 0.58 107.32 104.67 1ctl s GLY 10 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1ctl s GLY 10 CO 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 173.10 172.46 1ctl h PRO 12 N 7.91 0.00 0.00 0.00 0.11 -1.84 -1.59 132.00 136.59 1ctl h PRO 12 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1ctl h PRO 12 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ctl h PRO 12 CO 0.43 0.00 -0.02 -0.09 -0.21 0.00 0.00 178.00 178.11 1ctl h ARG 13 N 0.00 0.00 0.00 1.05 9.65 -1.92 -3.41 114.38 119.75 1ctl h ARG 13 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ctl h ARG 13 Cb 0.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1ctl h ARG 13 CO 0.00 0.00 -0.79 0.00 2.80 0.00 0.00 179.97 181.98 1ctl n GLY 15 N 1.30 0.43 3.85 0.00 0.00 -0.60 -5.06 105.19 105.11 1ctl n GLY 15 Ca 0.02 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.57 3.72 -0.06 1.61 -0.21 -1.25 -4.93 119.66 116.97 1ctl s GLN 16 Ca 0.00 0.11 -0.03 0.00 0.02 0.00 0.00 55.36 55.45 1ctl s GLN 16 Cb 0.00 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1ctl s GLN 16 CO 0.00 0.69 0.10 0.00 -2.12 0.00 0.00 175.29 173.96 1ctl s ALA 17 N -0.89 3.69 -0.12 6.09 0.00 -1.26 -0.67 121.76 128.60 1ctl s ALA 17 Ca 0.18 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1ctl s ALA 17 Cb -0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1ctl s ALA 17 CO 0.08 0.66 0.02 0.08 0.00 0.00 0.00 175.76 176.60 1ctl s VAL 18 N -1.11 4.49 0.00 0.00 1.01 0.20 -4.92 120.40 120.06 1ctl s VAL 18 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1ctl s VAL 18 Cb -0.12 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1ctl s VAL 18 CO 0.10 0.56 0.00 -1.22 0.00 0.00 0.00 175.10 174.53 1ctl n TYR 19 N 2.66 0.00 -1.64 5.22 4.02 -1.26 -2.18 117.16 123.97 1ctl n TYR 19 Ca -0.18 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.39 1ctl n TYR 19 Cb 0.53 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 1ctl n TYR 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ctl s ALA 20 N -3.52 1.51 -0.14 -0.72 0.00 -1.26 -4.64 121.76 112.99 1ctl s ALA 20 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1ctl s ALA 20 Cb 0.00 -4.40 -0.06 0.00 0.00 0.00 0.00 23.12 18.66 1ctl s ALA 20 CO 0.00 -4.70 2.14 0.00 0.00 0.00 0.00 175.76 173.21 1ctl s ALA 21 N 12.24 3.00 -0.25 0.00 0.00 -1.26 -4.81 121.76 130.68 1ctl s ALA 21 Ca 0.92 0.96 0.12 0.00 0.00 0.00 0.00 51.96 53.95 1ctl s ALA 21 Cb -0.15 -4.00 0.50 0.00 0.00 0.00 0.00 23.12 19.46 1ctl s ALA 21 CO 0.21 -2.41 1.43 -1.91 0.00 0.00 0.00 175.76 173.07 1ctl n GLU 22 N 8.38 2.08 -3.55 0.00 4.07 -1.26 -5.07 120.64 125.29 1ctl n GLU 22 Ca 0.27 -3.06 -0.19 0.00 -0.06 0.00 0.00 57.16 54.11 1ctl n GLU 22 Cb 0.44 -1.80 -0.01 0.00 -0.06 0.00 0.00 31.44 30.01 1ctl n GLU 22 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1ctl s LYS 23 N -3.12 3.17 0.30 5.31 2.36 -1.26 0.97 119.74 127.47 1ctl s LYS 23 Ca 0.43 -0.97 -0.15 0.00 -2.55 0.00 0.00 55.97 52.73 1ctl s LYS 23 Cb 0.38 -2.83 0.02 0.00 -1.05 0.00 0.00 37.83 34.35 1ctl s LYS 23 CO 0.02 0.12 0.63 0.54 1.55 0.00 0.00 175.35 178.22 1ctl s VAL 24 N -2.14 0.00 -0.04 4.02 0.11 0.13 -4.67 120.40 117.81 1ctl s VAL 24 Ca 0.43 -1.20 -0.08 0.00 -2.93 0.00 0.00 61.98 58.20 1ctl s VAL 24 Cb -0.09 -2.32 0.01 0.00 -1.53 0.00 0.00 36.38 32.45 1ctl s VAL 24 CO 0.31 0.00 0.20 -0.63 -3.33 0.00 0.00 175.10 171.64 1ctl s ILE 25 N -3.52 0.04 -0.28 7.04 1.01 -1.26 -2.05 121.20 122.19 1ctl s ILE 25 Ca 0.18 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 1ctl s ILE 25 Cb -0.03 -0.40 0.16 0.00 0.01 0.00 0.00 42.46 42.20 1ctl s ILE 25 CO 0.10 -0.18 0.53 -0.83 0.00 0.00 0.00 174.94 174.56 1ctl s GLY 26 N -0.66 -0.75 0.00 6.18 0.00 -0.68 -4.99 107.32 106.42 1ctl s GLY 26 Ca -0.07 1.61 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1ctl s GLY 26 CO 0.01 3.06 0.00 0.00 0.00 0.00 0.00 173.10 176.18 1ctl n ALA 27 N 5.41 0.00 -1.60 3.20 0.00 -1.26 -1.29 120.51 124.97 1ctl n ALA 27 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ctl n ALA 27 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.72 3.73 0.00 0.00 -1.26 -5.09 105.19 101.85 1ctl n GLY 28 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.79 -0.03 1.61 -0.14 -0.41 -5.13 119.74 118.43 1ctl s LYS 29 Ca 0.00 -0.69 0.02 0.00 -1.36 0.00 0.00 55.97 53.95 1ctl s LYS 29 Cb 0.00 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 1ctl s LYS 29 CO 0.00 0.58 -0.07 -1.12 -0.76 0.00 0.00 175.35 173.98 1ctl s SER 30 N -2.10 4.60 0.25 2.83 0.01 -1.26 -1.69 113.70 116.34 1ctl s SER 30 Ca 0.25 -0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.39 1ctl s SER 30 Cb -0.12 -1.10 0.01 0.00 0.21 0.00 0.00 66.02 65.02 1ctl s SER 30 CO 0.17 0.32 0.37 0.79 0.41 0.00 0.00 173.24 175.31 1ctl n TRP 31 N 1.88 -1.27 -3.01 2.43 7.02 -0.87 -3.89 117.44 119.73 1ctl n TRP 31 Ca -0.17 -1.58 -0.23 0.00 -1.02 0.00 0.00 57.50 54.50 1ctl n TRP 31 Cb 0.53 0.42 0.01 0.00 -2.42 0.00 0.00 31.31 29.85 1ctl n TRP 31 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1ctl s HIS 32 N -3.68 3.26 -0.07 -5.99 3.76 -1.26 0.22 115.29 111.53 1ctl s HIS 32 Ca 0.19 0.26 0.27 0.00 -0.15 0.00 0.00 55.06 55.63 1ctl s HIS 32 Cb -0.01 -2.27 1.40 0.00 1.11 0.00 0.00 32.58 32.80 1ctl s HIS 32 CO 0.13 -0.31 1.84 0.87 -0.85 0.00 0.00 174.74 176.42 1ctl h LYS 33 N 0.43 0.00 0.00 1.40 1.79 0.33 -2.18 116.57 118.35 1ctl h LYS 33 Ca -0.46 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.99 1ctl h LYS 33 Cb 1.25 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.85 1ctl h LYS 33 CO 0.58 0.00 -0.34 0.45 -1.08 0.00 0.00 179.45 179.06 1ctl n SER 34 N -2.48 1.51 0.00 0.86 2.88 -1.26 -4.52 113.62 110.61 1ctl n SER 34 Ca -0.01 -2.88 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1ctl n SER 34 Cb 0.10 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.16 1.23 -0.39 0.00 2.19 -1.17 -4.89 117.98 113.79 1ctl s PHE 36 Ca 0.00 0.69 -0.04 0.00 0.33 0.00 0.00 56.93 57.90 1ctl s PHE 36 Cb 0.00 -3.91 0.09 0.00 -1.31 0.00 0.00 43.02 37.89 1ctl s PHE 36 CO 0.00 -3.73 0.18 1.03 1.83 0.00 0.00 175.22 174.53 1ctl s ARG 37 N 6.53 2.25 -0.09 10.12 1.81 -1.26 -1.95 118.95 136.36 1ctl s ARG 37 Ca 0.97 -1.61 -0.29 0.00 -1.72 0.00 0.00 55.73 53.08 1ctl s ARG 37 Cb -0.29 -3.56 -0.06 0.00 -0.45 0.00 0.00 34.95 30.59 1ctl s ARG 37 CO 0.34 -0.95 1.91 0.00 -0.68 0.00 0.00 175.30 175.91 1ctl n ALA 39 N 8.63 6.13 0.03 0.00 0.00 -1.21 -0.56 120.51 133.52 1ctl n ALA 39 Ca 0.22 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1ctl n ALA 39 Cb 0.43 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.42 0.00 0.01 0.00 0.00 -1.26 -4.62 118.16 111.86 1ctl n LYS 40 Ca 0.53 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.96 1ctl n LYS 40 Cb 0.56 -0.24 0.16 0.00 0.00 0.00 0.00 35.03 35.51 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 1.47 0.53 3.65 0.00 0.00 0.28 -5.04 105.19 106.06 1ctl n GLY 42 Ca 0.05 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.39 2.41 0.30 1.61 2.47 -0.35 -4.91 119.74 119.88 1ctl s LYS 43 Ca 0.00 -0.89 -0.29 0.00 -1.56 0.00 0.00 55.97 53.23 1ctl s LYS 43 Cb 0.00 -2.46 -0.10 0.00 -1.46 0.00 0.00 37.83 33.81 1ctl s LYS 43 CO 0.00 0.53 1.29 0.45 0.16 0.00 0.00 175.35 177.78 1ctl s SER 44 N -2.21 6.85 0.00 1.43 0.15 -1.26 -1.96 113.70 116.70 1ctl s SER 44 Ca 0.24 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1ctl s SER 44 Cb -0.11 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1ctl s SER 44 CO 0.16 -0.49 0.00 0.18 1.20 0.00 0.00 173.24 174.29 1ctl n LEU 45 N 1.21 0.00 0.00 3.45 4.77 -0.82 -4.93 117.00 120.68 1ctl n LEU 45 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1ctl n LEU 45 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1ctl n LEU 45 CO 0.58 -0.21 0.00 -0.62 -1.33 0.00 0.00 177.39 175.81 1ctl n GLU 46 N -0.42 0.00 0.19 3.23 1.02 -1.26 -4.95 120.64 118.45 1ctl n GLU 46 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1ctl n GLU 46 Cb 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 31.44 31.80 1ctl n GLU 46 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ctl h SER 47 N 0.00 0.00 -4.00 1.62 4.64 -2.01 -3.44 113.55 110.35 1ctl h SER 47 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1ctl h SER 47 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 1ctl h SER 47 CO 0.00 0.00 0.67 0.42 -0.87 0.00 0.00 176.83 177.05 1ctl s THR 48 N -3.29 2.12 0.00 2.95 -4.23 -1.26 -4.98 115.64 106.94 1ctl s THR 48 Ca 0.06 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1ctl s THR 48 Cb 0.08 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1ctl s THR 48 CO 0.59 0.01 0.00 0.35 -0.54 0.00 0.00 174.62 175.03 1ctl n THR 49 N -0.35 0.00 -3.24 3.99 -2.24 -1.26 -4.71 114.28 106.46 1ctl n THR 49 Ca 0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1ctl n THR 49 Cb 0.43 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1ctl n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ctl n LEU 50 N 0.00 0.00 -2.93 3.22 -0.00 -1.26 -1.38 117.00 114.64 1ctl n LEU 50 Ca 0.00 -0.15 -0.11 0.00 -0.00 0.00 0.00 56.01 55.75 1ctl n LEU 50 Cb 0.00 0.19 -0.02 0.00 -0.00 0.00 0.00 43.42 43.59 1ctl n LEU 50 CO 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 177.39 177.35 1ctl n ALA 51 N -2.87 -0.53 -1.60 1.47 0.00 -0.26 -4.69 120.51 112.05 1ctl n ALA 51 Ca -0.01 -1.64 -0.32 0.00 0.00 0.00 0.00 53.44 51.47 1ctl n ALA 51 Cb 0.03 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 0.46 5.52 0.00 0.00 -4.77 -1.26 -2.11 116.67 114.50 1ctl s ASP 52 Ca 0.31 1.79 0.00 0.00 -3.30 0.00 0.00 52.55 51.35 1ctl s ASP 52 Cb 0.03 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.33 1ctl s ASP 52 CO -0.10 -1.35 0.00 1.17 0.70 0.00 0.00 175.17 175.59 1ctl n LYS 53 N -2.45 0.00 -1.56 2.11 4.81 0.16 -4.89 118.16 116.34 1ctl n LYS 53 Ca 0.09 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.33 1ctl n LYS 53 Cb 0.53 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.50 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 -5.33 0.00 3.14 2.03 -1.26 -0.88 116.55 114.24 1ctl n ASP 54 Ca 0.00 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1ctl n ASP 54 Cb 0.00 -4.53 0.00 0.00 -0.72 0.00 0.00 41.12 35.87 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ctl n GLY 55 N -0.59 0.58 3.39 0.27 0.00 -1.26 -5.05 105.19 102.53 1ctl n GLY 55 Ca -0.19 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.17 1.81 -0.20 1.61 0.41 -0.06 -5.11 118.70 115.98 1ctl s GLU 56 Ca 0.00 -2.07 -0.15 0.00 -0.41 0.00 0.00 54.97 52.34 1ctl s GLU 56 Cb 0.00 -0.14 0.06 0.00 -1.78 0.00 0.00 34.13 32.27 1ctl s GLU 56 CO 0.00 -0.55 0.50 0.96 -0.49 0.00 0.00 175.26 175.68 1ctl s ILE 57 N -3.38 -0.01 0.37 -1.63 -4.36 -1.26 0.36 121.20 111.30 1ctl s ILE 57 Ca 0.32 0.03 0.04 0.00 -0.26 0.00 0.00 60.65 60.78 1ctl s ILE 57 Cb 0.03 -0.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.98 1ctl s ILE 57 CO 0.20 0.01 0.11 -0.72 0.24 0.00 0.00 174.94 174.79 1ctl s TYR 58 N 0.83 1.80 0.06 1.37 1.13 -0.90 -3.36 117.35 118.28 1ctl s TYR 58 Ca -0.05 -1.21 0.05 0.00 -1.41 0.00 0.00 57.07 54.45 1ctl s TYR 58 Cb -0.05 -1.15 -0.04 0.00 -1.10 0.00 0.00 41.96 39.62 1ctl s TYR 58 CO -0.07 -0.24 -0.04 0.00 -2.51 0.00 0.00 175.55 172.68 1ctl n LYS 60 N 0.95 0.01 0.00 0.00 3.00 -0.48 -1.74 118.16 119.91 1ctl n LYS 60 Ca -0.13 0.21 0.04 0.00 -0.00 0.00 0.00 58.31 58.44 1ctl n LYS 60 Cb 0.52 -1.50 0.23 0.00 0.00 0.00 0.00 35.03 34.28 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 0.19 -0.54 0.87 3.14 0.00 -1.26 -1.09 105.19 106.50 1ctl n GLY 61 Ca 0.04 -0.04 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 -2.86 0.06 -0.12 0.00 9.36 -0.94 0.32 117.16 122.97 1ctl n TYR 63 Ca 0.00 0.03 -0.22 0.00 3.32 0.00 0.00 57.90 61.03 1ctl n TYR 63 Cb 0.46 -0.55 -0.10 0.00 -0.63 0.00 0.00 39.34 38.53 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ctl n ALA 64 N -1.52 1.44 -0.23 2.98 0.00 -0.25 -4.40 120.51 118.53 1ctl n ALA 64 Ca -0.00 -1.00 0.04 0.00 0.00 0.00 0.00 53.44 52.48 1ctl n ALA 64 Cb 0.00 0.07 0.26 0.00 0.00 0.00 0.00 19.45 19.78 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 -3.67 3.48 -0.02 0.00 3.00 0.40 -1.72 118.16 119.63 1ctl n LYS 65 Ca -0.46 -2.03 0.05 0.00 -0.00 0.00 0.00 58.31 55.88 1ctl n LYS 65 Cb 0.89 -1.99 -0.14 0.00 0.00 0.00 0.00 35.03 33.80 1ctl n LYS 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ctl n ASN 66 N 0.38 0.94 0.00 3.14 5.03 0.15 -4.95 115.26 119.95 1ctl n ASN 66 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1ctl n ASN 66 Cb 0.88 1.62 0.00 0.00 -1.02 0.00 0.00 39.78 41.25 1ctl n ASN 66 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1ctl n PHE 67 N -2.22 0.00 -3.25 3.10 -0.00 -0.70 -4.09 117.46 110.30 1ctl n PHE 67 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.32 1ctl n PHE 67 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.03 1ctl n PHE 67 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1ctl s GLY 68 N 0.00 -0.84 0.27 7.13 0.00 -1.26 -5.03 107.32 107.59 1ctl s GLY 68 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1ctl s GLY 68 CO 0.00 3.31 1.84 -0.56 0.00 0.00 0.00 173.10 177.69 1ctl h PRO 69 N 7.78 0.96 -2.73 2.90 0.13 -2.02 -3.47 132.00 135.55 1ctl h PRO 69 Ca -0.02 -0.06 0.31 0.00 -0.87 0.00 0.00 66.00 65.36 1ctl h PRO 69 Cb 1.14 -0.22 -0.11 0.00 0.13 0.00 0.00 31.00 31.95 1ctl h PRO 69 CO 0.19 0.64 -0.62 1.63 -0.23 0.00 0.00 178.00 179.61 1ctl n LYS 70 N -4.62 -2.51 0.00 0.86 5.02 -1.26 -5.07 118.16 110.57 1ctl n LYS 70 Ca 0.18 1.79 0.00 0.00 -2.02 0.00 0.00 58.31 58.26 1ctl n LYS 70 Cb 0.32 -3.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.31 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 -3.87 4.33 3.48 0.72 0.00 -1.26 -5.18 105.19 103.42 1ctl n GLY 71 Ca -0.02 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 1ctl n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ctl s PHE 72 N -0.12 -0.60 0.00 1.61 5.36 -1.26 -4.94 117.98 118.03 1ctl s PHE 72 Ca 0.00 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 1ctl s PHE 72 Cb 0.00 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 1ctl s PHE 72 CO 0.00 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 173.59 1ctl n GLY 73 N 0.97 2.31 3.12 13.12 0.00 -1.26 -5.08 105.19 118.38 1ctl n GLY 73 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1ctl n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ctl s PHE 74 N -2.15 3.04 -0.38 1.61 5.36 -1.26 -5.00 117.98 119.20 1ctl s PHE 74 Ca 0.00 -1.87 0.12 0.00 -0.96 0.00 0.00 56.93 54.21 1ctl s PHE 74 Cb 0.00 -1.96 0.38 0.00 -0.34 0.00 0.00 43.02 41.09 1ctl s PHE 74 CO 0.00 -0.81 0.97 0.41 -1.46 0.00 0.00 175.22 174.32 1ctl n GLY 75 N 4.56 2.07 1.18 13.12 0.00 -1.26 -5.11 105.19 119.76 1ctl n GLY 75 Ca -0.17 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ctl n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ctl n GLN 76 N 0.08 -3.10 -0.94 1.61 6.02 -1.26 -5.01 117.38 114.78 1ctl n GLN 76 Ca 0.13 2.29 0.00 0.00 -0.01 0.00 0.00 57.00 59.40 1ctl n GLN 76 Cb 0.74 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.57 1ctl n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ctl n GLY 77 N 0.39 -3.67 3.60 1.08 0.00 -1.26 -5.08 105.19 100.25 1ctl n GLY 77 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.31 -2.61 0.00 4.61 0.00 -1.26 -5.03 121.76 113.16 1ctl s ALA 78 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1ctl s ALA 78 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1ctl s ALA 78 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1ctl n GLY 79 N 3.48 1.15 3.76 0.00 0.00 -1.26 -5.12 105.19 107.20 1ctl n GLY 79 Ca -0.16 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 3.37 -2.02 4.61 0.00 -1.26 -2.34 121.76 124.12 1ctl s ALA 80 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1ctl s ALA 80 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1ctl s ALA 80 CO 0.00 0.23 0.00 1.28 0.00 0.00 0.00 175.76 177.27 1ctl n LEU 81 N 1.59 -1.29 -4.21 0.00 4.32 -1.26 -4.90 117.00 111.25 1ctl n LEU 81 Ca -0.03 0.47 -0.40 0.00 -0.02 0.00 0.00 56.01 56.03 1ctl n LEU 81 Cb 0.48 -2.84 -0.04 0.00 -1.62 0.00 0.00 43.42 39.40 1ctl n LEU 81 CO 0.49 -1.09 0.55 -0.63 -1.22 0.00 0.00 177.39 175.49 1ctl s ILE 82 N -2.61 5.11 0.08 -0.08 -1.09 -0.99 -5.04 121.20 116.57 1ctl s ILE 82 Ca 0.00 -3.68 -0.31 0.00 -2.23 0.00 0.00 60.65 54.43 1ctl s ILE 82 Cb 0.00 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 36.67 1ctl s ILE 82 CO 0.00 -1.14 1.86 -2.28 -1.23 0.00 0.00 174.94 172.15 1ctl s HIS 83 N -1.33 1.83 -0.29 3.97 2.46 -1.26 -4.95 115.29 115.71 1ctl s HIS 83 Ca 0.29 -0.15 -0.20 0.00 0.47 0.00 0.00 55.06 55.47 1ctl s HIS 83 Cb -0.08 -4.17 0.18 0.00 -0.13 0.00 0.00 32.58 28.37 1ctl s HIS 83 CO -0.11 -5.00 1.24 0.45 -2.47 0.00 0.00 174.74 168.85 1ctl s SER 84 N 3.39 -0.20 0.00 9.88 0.15 -1.26 -5.22 113.70 120.43 1ctl s SER 84 Ca 0.83 0.35 0.31 0.00 0.70 0.00 0.00 55.95 58.14 1ctl s SER 84 Cb -0.43 0.73 1.72 0.00 -1.71 0.00 0.00 66.02 66.32 1ctl s SER 84 CO 0.38 -0.06 2.12 0.00 1.20 0.00 0.00 173.24 176.88