#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 -2.27 3.04 0.00 -1.26 -1.85 120.51 118.17 1ctl n ALA 2 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 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 0.94 0.00 0.00 0.00 177.50 178.44 1ctl n GLN 3 N 0.00 0.00 -2.87 0.00 7.27 -1.26 -5.00 117.38 115.52 1ctl n GLN 3 Ca 0.00 -1.48 -0.13 0.00 0.07 0.00 0.00 57.00 55.45 1ctl n GLN 3 Cb 0.00 -0.02 -0.01 0.00 2.41 0.00 0.00 30.24 32.61 1ctl n GLN 3 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ctl n LYS 4 N 0.27 1.25 -3.61 3.69 3.00 -0.77 -4.78 118.16 117.22 1ctl n LYS 4 Ca -0.01 -1.65 -0.24 0.00 -0.00 0.00 0.00 58.31 56.40 1ctl n LYS 4 Cb 0.93 0.30 0.08 0.00 0.00 0.00 0.00 35.03 36.34 1ctl n LYS 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1ctl n VAL 5 N -0.87 -3.05 -0.09 3.15 0.24 -1.26 -4.53 118.33 111.92 1ctl n VAL 5 Ca -0.05 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1ctl n VAL 5 Cb 0.29 -3.97 0.00 0.00 -1.47 0.00 0.00 33.84 28.70 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 -1.97 -3.65 3.43 7.63 0.00 -1.26 -4.71 105.19 104.66 1ctl n GLY 6 Ca 0.00 -1.95 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 1ctl n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ctl s GLY 7 N -0.55 2.34 0.00 -0.02 0.00 -1.26 -4.92 107.32 102.91 1ctl s GLY 7 Ca 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 44.72 41.54 1ctl s GLY 7 CO 0.00 1.86 0.00 1.44 0.00 0.00 0.00 173.10 176.40 1ctl n SER 8 N 5.47 0.00 -1.32 1.64 7.64 -1.26 -4.38 113.62 121.41 1ctl n SER 8 Ca 0.28 -0.37 -0.02 0.00 1.01 0.00 0.00 58.87 59.77 1ctl n SER 8 Cb 0.45 0.00 -0.01 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 -0.84 -0.20 -3.97 6.43 2.03 -0.94 -4.94 116.55 114.12 1ctl n ASP 9 Ca 0.00 -1.31 -0.09 0.00 0.52 0.00 0.00 54.79 53.91 1ctl n ASP 9 Cb 0.00 0.38 -0.05 0.00 -0.72 0.00 0.00 41.12 40.73 1ctl n ASP 9 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ctl s GLY 10 N -1.35 0.44 -0.25 0.27 0.00 -1.26 0.59 107.32 105.75 1ctl s GLY 10 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1ctl s GLY 10 CO 0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 173.10 172.55 1ctl h PRO 12 N 7.92 0.00 0.00 0.00 0.11 -1.83 -1.39 132.00 136.80 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 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.09 1ctl h ARG 13 N 0.00 0.00 0.00 1.05 1.12 -1.92 -3.40 114.38 111.23 1ctl h ARG 13 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ctl h ARG 13 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 1ctl h ARG 13 CO 0.00 0.00 -0.66 0.00 -3.11 0.00 0.00 179.97 176.20 1ctl n GLY 15 N 1.40 0.45 3.95 0.00 0.00 -0.53 -5.07 105.19 105.40 1ctl n GLY 15 Ca 0.04 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.61 3.06 0.03 1.61 -0.21 -1.23 -4.93 119.66 116.39 1ctl s GLN 16 Ca 0.00 -0.46 0.09 0.00 0.02 0.00 0.00 55.36 55.01 1ctl s GLN 16 Cb 0.00 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 1ctl s GLN 16 CO 0.00 -0.29 -0.26 0.00 -2.12 0.00 0.00 175.29 172.62 1ctl s ALA 17 N -2.58 2.20 -0.07 6.09 0.00 -1.26 -0.03 121.76 126.11 1ctl s ALA 17 Ca 0.49 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1ctl s ALA 17 Cb -0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1ctl s ALA 17 CO 0.38 0.52 -0.02 0.08 0.00 0.00 0.00 175.76 176.73 1ctl s VAL 18 N -0.75 4.10 -0.13 0.00 1.01 0.20 -4.93 120.40 119.90 1ctl s VAL 18 Ca 0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1ctl s VAL 18 Cb -0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1ctl s VAL 18 CO 0.01 0.57 0.07 -0.72 0.00 0.00 0.00 175.10 175.03 1ctl s TYR 19 N -0.89 3.33 -2.01 5.22 1.13 -1.26 -2.22 117.35 120.65 1ctl s TYR 19 Ca 0.14 0.25 0.00 0.00 -1.41 0.00 0.00 57.07 56.05 1ctl s TYR 19 Cb -0.11 -1.95 0.00 0.00 -1.10 0.00 0.00 41.96 38.80 1ctl s TYR 19 CO 0.03 0.43 0.00 0.00 -2.51 0.00 0.00 175.55 173.50 1ctl n ALA 20 N 2.64 -0.29 -2.23 9.51 0.00 -1.26 -4.36 120.51 124.52 1ctl n ALA 20 Ca -0.18 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ctl n ALA 20 Cb 0.53 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 1.35 -2.10 -1.07 0.00 0.00 -1.26 -4.95 120.51 112.49 1ctl n ALA 21 Ca -0.19 0.45 0.09 0.00 0.00 0.00 0.00 53.44 53.80 1ctl n ALA 21 Cb 0.63 -1.36 0.17 0.00 0.00 0.00 0.00 19.45 18.90 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 1.68 1.67 -3.40 0.00 0.00 -1.26 -5.07 120.64 114.27 1ctl n GLU 22 Ca 0.00 -2.67 -0.19 0.00 0.00 0.00 0.00 57.16 54.30 1ctl n GLU 22 Cb 0.00 -1.59 -0.01 0.00 0.00 0.00 0.00 31.44 29.84 1ctl n GLU 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1ctl s LYS 23 N -2.88 2.79 0.09 5.31 0.00 -1.26 -1.09 119.74 122.71 1ctl s LYS 23 Ca 0.35 -1.28 0.00 0.00 0.00 0.00 0.00 55.97 55.04 1ctl s LYS 23 Cb 0.30 -2.62 0.00 0.00 0.00 0.00 0.00 37.83 35.51 1ctl s LYS 23 CO 0.04 -0.11 0.03 1.33 0.00 0.00 0.00 175.35 176.64 1ctl n VAL 24 N -1.64 0.00 -3.57 1.79 0.24 0.20 -4.64 118.33 110.71 1ctl n VAL 24 Ca 0.03 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 1ctl n VAL 24 Cb 0.60 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.77 1ctl n VAL 24 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1ctl s ILE 25 N -0.94 0.00 -0.28 1.34 1.10 -1.26 -2.05 121.20 119.11 1ctl s ILE 25 Ca 0.02 0.00 -0.26 0.00 -0.51 0.00 0.00 60.65 59.91 1ctl s ILE 25 Cb -0.00 -1.00 0.14 0.00 0.15 0.00 0.00 42.46 41.75 1ctl s ILE 25 CO 0.02 0.00 1.16 -0.83 -2.11 0.00 0.00 174.94 173.17 1ctl s GLY 26 N -0.66 -0.01 0.00 1.50 0.00 0.16 -4.97 107.32 103.35 1ctl s GLY 26 Ca -0.04 2.88 0.00 0.00 0.00 0.00 0.00 44.72 47.56 1ctl s GLY 26 CO 0.04 1.78 0.00 0.00 0.00 0.00 0.00 173.10 174.92 1ctl n ALA 27 N 1.87 0.00 -2.02 3.20 0.00 -1.26 0.47 120.51 122.77 1ctl n ALA 27 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 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 0.78 3.16 0.00 0.00 -1.26 -5.11 105.19 102.75 1ctl n GLY 28 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 2.71 0.02 1.61 3.01 0.18 -5.12 119.74 122.14 1ctl s LYS 29 Ca 0.02 -0.75 -0.08 0.00 -1.01 0.00 0.00 55.97 54.14 1ctl s LYS 29 Cb 0.02 -2.12 -0.05 0.00 -1.01 0.00 0.00 37.83 34.67 1ctl s LYS 29 CO -0.01 0.09 0.31 -1.12 0.51 0.00 0.00 175.35 175.13 1ctl s SER 30 N 0.56 6.55 0.00 2.83 0.01 -1.26 -0.67 113.70 121.72 1ctl s SER 30 Ca -0.15 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1ctl s SER 30 Cb -0.17 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1ctl s SER 30 CO 0.05 0.25 0.00 0.79 0.41 0.00 0.00 173.24 174.73 1ctl n TRP 31 N 1.16 0.00 -3.80 2.43 7.02 -0.87 -4.03 117.44 119.35 1ctl n TRP 31 Ca -0.11 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.16 1ctl n TRP 31 Cb 0.53 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.39 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 -1.28 3.06 -0.86 -5.99 3.76 -1.26 0.58 115.29 113.30 1ctl s HIS 32 Ca 0.00 -0.21 0.22 0.00 -0.15 0.00 0.00 55.06 54.91 1ctl s HIS 32 Cb 0.00 -1.74 0.88 0.00 1.11 0.00 0.00 32.58 32.83 1ctl s HIS 32 CO 0.00 0.23 1.68 1.63 -0.85 0.00 0.00 174.74 177.43 1ctl n LYS 33 N -1.41 0.07 -0.25 1.40 4.76 -0.25 -2.10 118.16 120.39 1ctl n LYS 33 Ca -0.03 0.21 0.09 0.00 -2.87 0.00 0.00 58.31 55.71 1ctl n LYS 33 Cb 0.59 -1.62 0.16 0.00 -1.84 0.00 0.00 35.03 32.32 1ctl n LYS 33 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ctl n SER 34 N -1.75 2.14 0.00 4.39 7.64 -1.26 -4.36 113.62 120.42 1ctl n SER 34 Ca 0.04 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1ctl n SER 34 Cb 0.26 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1ctl n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ctl s PHE 36 N -1.87 1.20 -0.36 0.00 2.19 -1.05 -4.87 117.98 113.22 1ctl s PHE 36 Ca 0.00 1.05 -0.01 0.00 0.33 0.00 0.00 56.93 58.31 1ctl s PHE 36 Cb 0.00 -3.79 0.09 0.00 -1.31 0.00 0.00 43.02 38.01 1ctl s PHE 36 CO 0.00 -3.14 0.11 -0.98 1.83 0.00 0.00 175.22 173.04 1ctl s ARG 37 N 7.26 1.95 -0.09 10.12 1.70 -1.26 -1.96 118.95 136.67 1ctl s ARG 37 Ca 0.95 -1.71 -0.29 0.00 -0.47 0.00 0.00 55.73 54.21 1ctl s ARG 37 Cb -0.23 -3.38 -0.06 0.00 -0.57 0.00 0.00 34.95 30.71 1ctl s ARG 37 CO 0.30 -0.93 1.95 0.00 -1.08 0.00 0.00 175.30 175.53 1ctl n ALA 39 N 8.82 6.00 0.04 0.00 0.00 -1.21 -0.71 120.51 133.44 1ctl n ALA 39 Ca 0.22 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.70 1ctl n ALA 39 Cb 0.43 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.34 0.00 0.01 0.00 0.00 -1.26 -4.66 118.16 111.91 1ctl n LYS 40 Ca 0.51 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.93 1ctl n LYS 40 Cb 0.58 -0.25 0.13 0.00 0.00 0.00 0.00 35.03 35.48 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 1.46 0.57 3.69 0.00 0.00 0.11 -5.04 105.19 105.98 1ctl n GLY 42 Ca 0.04 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.23 2.68 0.28 1.61 2.47 -0.60 -4.93 119.74 120.03 1ctl s LYS 43 Ca 0.00 -0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 53.39 1ctl s LYS 43 Cb 0.00 -2.61 -0.10 0.00 -1.46 0.00 0.00 37.83 33.66 1ctl s LYS 43 CO 0.00 0.58 1.24 -1.12 0.16 0.00 0.00 175.35 176.21 1ctl s SER 44 N -2.02 6.95 0.00 1.43 0.01 -1.26 -1.95 113.70 116.86 1ctl s SER 44 Ca 0.24 2.49 0.00 0.00 1.31 0.00 0.00 55.95 59.99 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 0.15 -0.41 0.00 0.18 0.41 0.00 0.00 173.24 173.57 1ctl n LEU 45 N 1.34 0.00 0.00 2.44 4.77 -0.83 -4.93 117.00 119.79 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 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ctl n LEU 45 CO 0.57 -0.14 0.00 -0.62 -1.33 0.00 0.00 177.39 175.87 1ctl n GLU 46 N -0.29 3.66 -0.08 3.23 -0.58 -1.26 -4.93 120.64 120.39 1ctl n GLU 46 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1ctl n GLU 46 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1ctl n GLU 46 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ctl n SER 47 N 0.00 1.85 -2.23 1.62 3.41 -1.26 -4.63 113.62 112.38 1ctl n SER 47 Ca 0.00 0.54 -0.30 0.00 -0.26 0.00 0.00 58.87 58.85 1ctl n SER 47 Cb 0.00 -0.86 0.04 0.00 -0.26 0.00 0.00 64.21 63.14 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 -4.54 3.04 -3.02 6.66 -2.24 -1.26 -4.73 114.28 108.18 1ctl n THR 48 Ca -0.14 -3.74 -0.14 0.00 -2.27 0.00 0.00 64.05 57.76 1ctl n THR 48 Cb 0.40 -1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 1ctl n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ctl n THR 49 N -0.77 -0.51 -3.91 4.28 -2.24 -1.26 -5.01 114.28 104.86 1ctl n THR 49 Ca 0.52 -2.13 -0.09 0.00 -2.27 0.00 0.00 64.05 60.08 1ctl n THR 49 Cb 0.78 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.82 1ctl n THR 49 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1ctl s LEU 50 N 0.33 0.41 -0.17 3.22 0.05 -1.26 -2.03 118.68 119.22 1ctl s LEU 50 Ca 0.32 -0.78 -0.04 0.00 0.05 0.00 0.00 54.13 53.68 1ctl s LEU 50 Cb 0.04 1.74 0.08 0.00 -2.05 0.00 0.00 46.19 46.01 1ctl s LEU 50 CO -0.13 -1.05 0.24 0.00 -0.55 0.00 0.00 176.35 174.86 1ctl s ALA 51 N -3.96 -0.42 0.53 1.48 0.00 0.79 -4.30 121.76 115.88 1ctl s ALA 51 Ca 0.17 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 1ctl s ALA 51 Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1ctl s ALA 51 CO 0.03 -0.96 0.86 0.16 0.00 0.00 0.00 175.76 175.85 1ctl s ASP 52 N 2.37 6.13 -0.30 0.00 1.47 -1.26 -1.66 116.67 123.42 1ctl s ASP 52 Ca 0.05 0.99 -0.11 0.00 1.18 0.00 0.00 52.55 54.66 1ctl s ASP 52 Cb -0.14 -2.20 0.19 0.00 -0.34 0.00 0.00 42.92 40.43 1ctl s ASP 52 CO -0.11 -0.73 1.06 -0.75 0.68 0.00 0.00 175.17 175.33 1ctl s LYS 53 N -4.88 0.13 -1.65 2.11 2.20 0.50 -4.89 119.74 113.26 1ctl s LYS 53 Ca 0.50 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1ctl s LYS 53 Cb -0.10 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1ctl s LYS 53 CO 0.47 -0.23 0.00 -0.25 -0.36 0.00 0.00 175.35 174.98 1ctl n ASP 54 N 4.72 -5.50 0.00 1.43 8.00 -1.26 -1.61 116.55 122.33 1ctl n ASP 54 Ca 0.09 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.97 1ctl n ASP 54 Cb 0.59 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 1ctl n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ctl n GLY 55 N -0.24 2.63 3.91 0.44 0.00 -1.26 -5.05 105.19 105.61 1ctl n GLY 55 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1ctl n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ctl s GLU 56 N -0.39 2.89 -0.11 1.61 2.12 -0.64 -5.06 118.70 119.12 1ctl s GLU 56 Ca 0.00 -1.18 -0.09 0.00 0.36 0.00 0.00 54.97 54.06 1ctl s GLU 56 Cb 0.00 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.81 1ctl s GLU 56 CO 0.00 0.09 0.29 0.96 -0.54 0.00 0.00 175.26 176.05 1ctl s ILE 57 N -2.25 -0.01 0.43 -3.70 -4.36 -1.26 -0.37 121.20 109.68 1ctl s ILE 57 Ca 0.42 0.03 0.03 0.00 -0.26 0.00 0.00 60.65 60.88 1ctl s ILE 57 Cb -0.07 -0.42 -0.03 0.00 1.25 0.00 0.00 42.46 43.19 1ctl s ILE 57 CO 0.28 0.01 0.07 -0.72 0.24 0.00 0.00 174.94 174.83 1ctl s TYR 58 N 0.43 1.90 0.08 1.37 1.13 -0.66 -3.36 117.35 118.23 1ctl s TYR 58 Ca -0.02 -1.08 0.05 0.00 -1.41 0.00 0.00 57.07 54.60 1ctl s TYR 58 Cb -0.04 -1.37 -0.04 0.00 -1.10 0.00 0.00 41.96 39.42 1ctl s TYR 58 CO -0.02 -0.03 -0.04 0.00 -2.51 0.00 0.00 175.55 172.95 1ctl n LYS 60 N 0.80 0.02 0.00 0.00 4.81 -0.86 -1.76 118.16 121.17 1ctl n LYS 60 Ca -0.12 0.20 0.05 0.00 -0.87 0.00 0.00 58.31 57.56 1ctl n LYS 60 Cb 0.52 -1.50 0.24 0.00 0.02 0.00 0.00 35.03 34.31 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 0.25 -0.54 0.99 3.14 0.00 -1.18 -0.48 105.19 107.37 1ctl n GLY 61 Ca 0.04 -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 -2.93 0.55 -0.04 0.00 4.02 -0.94 -0.30 117.16 117.53 1ctl n TYR 63 Ca 0.00 0.29 -0.01 0.00 -0.01 0.00 0.00 57.90 58.16 1ctl n TYR 63 Cb 0.47 -0.96 -0.00 0.00 -0.02 0.00 0.00 39.34 38.82 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ctl h ALA 64 N 2.00 0.00 0.00 -0.72 0.00 -0.94 -3.39 119.26 116.21 1ctl h ALA 64 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ctl h ALA 64 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ctl h ALA 64 CO 0.00 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.04 1ctl n LYS 65 N -3.61 0.06 0.25 0.00 4.01 0.16 0.54 118.16 119.58 1ctl n LYS 65 Ca -0.02 0.54 0.14 0.00 -0.51 0.00 0.00 58.31 58.46 1ctl n LYS 65 Cb 0.08 -1.70 0.43 0.00 -0.51 0.00 0.00 35.03 33.34 1ctl n LYS 65 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1ctl h ASN 66 N 0.00 0.00 -1.50 4.39 -0.26 -0.84 -3.42 115.58 113.94 1ctl h ASN 66 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1ctl h ASN 66 Cb 0.03 0.00 -0.25 0.00 -1.06 0.00 0.00 38.32 37.04 1ctl h ASN 66 CO 0.00 0.01 -0.35 -0.36 -1.06 0.00 0.00 177.43 175.68 1ctl s PHE 67 N -3.44 -1.24 0.00 1.19 0.40 0.19 -4.93 117.98 110.15 1ctl s PHE 67 Ca 0.04 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 1ctl s PHE 67 Cb 0.07 0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.96 1ctl s PHE 67 CO 0.61 -0.78 0.00 0.41 0.70 0.00 0.00 175.22 176.16 1ctl n GLY 68 N 5.40 0.19 3.54 4.36 0.00 -1.26 -4.77 105.19 112.65 1ctl n GLY 68 Ca -0.03 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 0.40 0.00 1.61 -0.02 -1.26 -4.43 135.00 131.30 1ctl n PRO 69 Ca 0.00 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1ctl n PRO 69 Cb 0.00 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 30.80 1ctl n PRO 69 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ctl n LYS 70 N 7.79 0.00 0.00 -0.52 3.00 -1.26 -4.73 118.16 122.44 1ctl n LYS 70 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 1ctl n LYS 70 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.36 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 0.00 4.59 2.83 3.14 0.00 -1.26 -5.13 105.19 109.35 1ctl n GLY 71 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 -0.04 0.00 1.61 5.36 -1.26 -5.06 117.98 116.58 1ctl s PHE 72 Ca 0.00 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 1ctl s PHE 72 Cb 0.00 -0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 1ctl s PHE 72 CO 0.00 -0.12 0.00 0.41 -1.46 0.00 0.00 175.22 174.05 1ctl n GLY 73 N 4.17 -0.12 2.40 13.12 0.00 -1.26 -5.16 105.19 118.34 1ctl n GLY 73 Ca -0.27 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1ctl n GLY 73 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ctl n PHE 74 N 0.00 -2.52 0.00 1.61 1.16 -1.26 -4.99 117.46 111.46 1ctl n PHE 74 Ca 0.00 -1.31 0.00 0.00 -1.87 0.00 0.00 57.45 54.27 1ctl n PHE 74 Cb 0.00 -0.34 0.00 0.00 -1.61 0.00 0.00 39.48 37.53 1ctl n PHE 74 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ctl n GLY 75 N 0.66 -0.03 3.21 4.97 0.00 -1.26 -5.15 105.19 107.59 1ctl n GLY 75 Ca 0.10 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1ctl n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ctl n GLN 76 N 0.00 -1.86 -1.89 1.61 -0.06 -1.26 -4.86 117.38 109.06 1ctl n GLN 76 Ca 0.00 1.22 -0.31 0.00 -2.00 0.00 0.00 57.00 55.91 1ctl n GLN 76 Cb 0.00 -2.27 0.01 0.00 -4.06 0.00 0.00 30.24 23.93 1ctl n GLN 76 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1ctl s GLY 77 N -6.48 1.76 -0.22 1.69 0.00 -1.26 -5.09 107.32 97.72 1ctl s GLY 77 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 44.72 44.60 1ctl s GLY 77 CO 0.00 0.31 0.56 0.00 0.00 0.00 0.00 173.10 173.97 1ctl s ALA 78 N -3.01 -1.45 0.00 3.20 0.00 -1.26 -5.04 121.76 114.20 1ctl s ALA 78 Ca 0.57 1.86 0.00 0.00 0.00 0.00 0.00 51.96 54.39 1ctl s ALA 78 Cb -0.12 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1ctl s ALA 78 CO 0.50 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1ctl n GLY 79 N 3.83 -0.06 5.11 0.00 0.00 -1.26 -5.06 105.19 107.76 1ctl n GLY 79 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.97 0.00 -3.68 4.61 0.00 -1.26 -4.49 120.51 113.73 1ctl n ALA 80 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1ctl n ALA 80 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1ctl n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ctl s LEU 81 N 0.00 5.46 0.01 0.00 2.96 -1.26 -4.83 118.68 121.01 1ctl s LEU 81 Ca 0.00 -2.00 0.22 0.00 -0.22 0.00 0.00 54.13 52.13 1ctl s LEU 81 Cb 0.00 -1.91 -0.19 0.00 0.50 0.00 0.00 46.19 44.59 1ctl s LEU 81 CO 0.00 -0.61 0.76 0.00 -1.32 0.00 0.00 176.35 175.19 1ctl n ILE 82 N 4.71 0.08 0.00 6.68 0.13 -1.26 -4.99 119.36 124.71 1ctl n ILE 82 Ca -0.04 -0.30 0.00 0.00 -1.10 0.00 0.00 62.75 61.30 1ctl n ILE 82 Cb 0.41 0.30 0.00 0.00 -0.84 0.00 0.00 39.64 39.51 1ctl n ILE 82 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 1ctl n HIS 83 N -2.00 0.00 -3.48 9.51 -0.00 -1.26 -4.78 115.22 113.21 1ctl n HIS 83 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1ctl n HIS 83 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1ctl n HIS 83 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ctl n SER 84 N 3.47 0.00 0.00 0.26 2.88 -1.26 -5.30 113.62 113.67 1ctl n SER 84 Ca 0.00 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1ctl n SER 84 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ctl n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81