#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 -2.70 -5.12 0.00 -1.26 -5.07 120.51 106.37 1ctl n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1ctl n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.86 -3.92 0.28 0.00 10.64 -1.26 -4.80 117.38 117.47 1ctl n GLN 3 Ca 0.00 3.03 0.13 0.00 -1.83 0.00 0.00 57.00 58.32 1ctl n GLN 3 Cb 0.00 -4.68 0.80 0.00 -0.86 0.00 0.00 30.24 25.50 1ctl n GLN 3 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 1ctl h LYS 4 N 3.91 0.00 0.00 2.61 2.10 -2.05 -3.37 116.57 119.77 1ctl h LYS 4 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1ctl h LYS 4 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1ctl h LYS 4 CO 0.03 0.04 0.00 1.33 -2.00 0.00 0.00 179.45 178.86 1ctl n VAL 5 N -3.95 0.00 0.00 0.07 0.24 -1.26 -5.14 118.33 108.28 1ctl n VAL 5 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1ctl n VAL 5 Cb 0.13 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 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 -0.28 0.54 0.00 7.63 0.00 -1.26 -4.98 105.19 106.84 1ctl n GLY 6 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 0.51 0.50 -0.02 0.00 -1.26 -5.05 105.19 99.87 1ctl n GLY 7 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.05 -2.21 -0.37 1.61 7.64 -1.26 -4.94 113.62 114.03 1ctl n SER 8 Ca 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1ctl n SER 8 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1ctl n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ctl n ASP 9 N -3.42 1.45 -3.69 6.43 8.00 -0.94 -4.98 116.55 119.40 1ctl n ASP 9 Ca 0.02 -0.22 0.01 0.00 0.71 0.00 0.00 54.79 55.32 1ctl n ASP 9 Cb 0.09 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.21 1ctl n ASP 9 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ctl s GLY 10 N -0.22 -0.08 -0.17 0.44 0.00 -1.26 -1.85 107.32 104.18 1ctl s GLY 10 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.66 1ctl s GLY 10 CO 0.00 4.40 0.05 0.00 0.00 0.00 0.00 173.10 177.55 1ctl h PRO 12 N 8.30 0.00 0.00 0.00 0.11 -1.87 -1.48 132.00 137.06 1ctl h PRO 12 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ctl h PRO 12 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ctl h PRO 12 CO 0.31 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.64 1ctl n ARG 13 N -2.94 0.00 0.12 1.05 5.12 -1.26 -4.61 116.66 114.14 1ctl n ARG 13 Ca -0.02 0.24 0.12 0.00 -1.93 0.00 0.00 57.85 56.26 1ctl n ARG 13 Cb 0.36 -0.70 0.12 0.00 -1.16 0.00 0.00 32.46 31.08 1ctl n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ctl n GLY 15 N 1.22 0.48 3.96 0.00 0.00 -0.56 -5.06 105.19 105.23 1ctl n GLY 15 Ca 0.02 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.52 2.70 0.05 1.61 -0.21 -1.26 -4.91 119.66 116.13 1ctl s GLN 16 Ca 0.00 -0.65 0.08 0.00 0.02 0.00 0.00 55.36 54.81 1ctl s GLN 16 Cb 0.00 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 1ctl s GLN 16 CO 0.00 -0.59 -0.23 0.00 -2.12 0.00 0.00 175.29 172.34 1ctl s ALA 17 N -2.72 1.99 -0.15 6.09 0.00 -1.26 -1.30 121.76 124.41 1ctl s ALA 17 Ca 0.54 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1ctl s ALA 17 Cb -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1ctl s ALA 17 CO 0.39 0.46 0.11 0.08 0.00 0.00 0.00 175.76 176.79 1ctl s VAL 18 N -0.82 5.20 0.00 0.00 1.01 -0.77 -4.92 120.40 120.09 1ctl s VAL 18 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1ctl s VAL 18 Cb -0.09 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1ctl s VAL 18 CO 0.02 0.54 0.20 0.00 0.00 0.00 0.00 175.10 175.86 1ctl n TYR 19 N 2.74 0.00 0.00 5.22 9.36 -1.26 -2.22 117.16 131.00 1ctl n TYR 19 Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1ctl n TYR 19 Cb 0.53 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 39.09 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 -0.95 0.00 -3.65 2.98 0.00 -1.26 -4.36 120.51 113.27 1ctl n ALA 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1ctl n ALA 20 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ctl n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ctl s ALA 21 N -2.96 -2.44 -0.05 0.00 0.00 -1.26 -4.36 121.76 110.68 1ctl s ALA 21 Ca 0.00 1.91 0.08 0.00 0.00 0.00 0.00 51.96 53.94 1ctl s ALA 21 Cb 0.00 -1.86 0.12 0.00 0.00 0.00 0.00 23.12 21.38 1ctl s ALA 21 CO 0.00 -0.24 1.01 0.39 0.00 0.00 0.00 175.76 176.91 1ctl n GLU 22 N 2.63 0.94 -4.01 0.00 -0.58 -1.26 -5.09 120.64 113.27 1ctl n GLU 22 Ca -0.15 -1.66 -0.21 0.00 -0.42 0.00 0.00 57.16 54.71 1ctl n GLU 22 Cb 0.57 -0.98 -0.03 0.00 -0.57 0.00 0.00 31.44 30.42 1ctl n GLU 22 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1ctl s LYS 23 N -1.33 3.11 0.35 3.49 2.36 -1.26 0.82 119.74 127.28 1ctl s LYS 23 Ca 0.13 -0.96 -0.06 0.00 -2.55 0.00 0.00 55.97 52.53 1ctl s LYS 23 Cb 0.12 -2.69 0.01 0.00 -1.05 0.00 0.00 37.83 34.22 1ctl s LYS 23 CO 0.01 0.37 0.55 0.54 1.55 0.00 0.00 175.35 178.37 1ctl s VAL 24 N -2.09 0.00 -0.01 4.02 0.11 0.20 -4.76 120.40 117.86 1ctl s VAL 24 Ca 0.34 -1.45 -0.07 0.00 -2.93 0.00 0.00 61.98 57.87 1ctl s VAL 24 Cb -0.08 -2.67 0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1ctl s VAL 24 CO 0.27 0.00 0.15 -0.51 -3.33 0.00 0.00 175.10 171.68 1ctl s ILE 25 N -2.94 0.06 -0.28 7.04 1.10 -1.26 -2.01 121.20 122.91 1ctl s ILE 25 Ca 0.27 -0.52 -0.24 0.00 -0.51 0.00 0.00 60.65 59.64 1ctl s ILE 25 Cb -0.02 -0.40 0.12 0.00 0.15 0.00 0.00 42.46 42.32 1ctl s ILE 25 CO 0.18 -0.29 1.04 -0.83 -2.11 0.00 0.00 174.94 172.93 1ctl s GLY 26 N -1.03 -0.13 0.00 1.50 0.00 -0.70 -4.97 107.32 101.98 1ctl s GLY 26 Ca -0.11 2.73 0.00 0.00 0.00 0.00 0.00 44.72 47.33 1ctl s GLY 26 CO 0.01 1.88 0.00 0.00 0.00 0.00 0.00 173.10 175.00 1ctl n ALA 27 N 2.30 0.00 -2.12 3.20 0.00 -1.26 -0.17 120.51 122.45 1ctl n ALA 27 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 1ctl n ALA 27 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 0.69 3.51 0.00 0.00 -1.26 -5.03 105.19 103.10 1ctl n GLY 28 Ca 0.00 -0.21 -0.27 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 0.00 1.83 -0.01 1.61 3.01 0.76 -5.12 119.74 121.82 1ctl s LYS 29 Ca 0.08 -1.35 0.03 0.00 -1.01 0.00 0.00 55.97 53.72 1ctl s LYS 29 Cb 0.10 -2.04 -0.03 0.00 -1.01 0.00 0.00 37.83 34.84 1ctl s LYS 29 CO -0.04 0.43 -0.06 0.45 0.51 0.00 0.00 175.35 176.64 1ctl s SER 30 N -2.70 4.69 0.25 2.83 0.15 -1.26 -1.72 113.70 115.95 1ctl s SER 30 Ca 0.23 -0.10 -0.09 0.00 0.70 0.00 0.00 55.95 56.69 1ctl s SER 30 Cb -0.09 -1.13 -0.01 0.00 -1.71 0.00 0.00 66.02 63.08 1ctl s SER 30 CO 0.13 0.30 0.39 0.26 1.20 0.00 0.00 173.24 175.51 1ctl s TRP 31 N -0.97 0.65 0.26 3.44 0.52 -0.85 -4.01 118.94 117.98 1ctl s TRP 31 Ca 0.16 -0.96 -0.17 0.00 0.02 0.00 0.00 56.10 55.16 1ctl s TRP 31 Cb -0.11 -0.03 -0.08 0.00 -1.15 0.00 0.00 33.47 32.09 1ctl s TRP 31 CO 0.07 -0.92 0.71 -1.01 0.02 0.00 0.00 176.95 175.81 1ctl s HIS 32 N -3.94 3.50 -0.46 -1.98 3.76 -1.26 0.59 115.29 115.50 1ctl s HIS 32 Ca 0.28 1.26 0.15 0.00 -0.15 0.00 0.00 55.06 56.60 1ctl s HIS 32 Cb 0.01 -2.54 0.81 0.00 1.11 0.00 0.00 32.58 31.97 1ctl s HIS 32 CO 0.11 0.23 1.47 1.63 -0.85 0.00 0.00 174.74 177.33 1ctl n LYS 33 N 0.18 0.10 -0.11 1.40 5.02 0.24 0.71 118.16 125.69 1ctl n LYS 33 Ca 0.00 0.58 -0.14 0.00 -2.02 0.00 0.00 58.31 56.74 1ctl n LYS 33 Cb 0.52 -1.81 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1ctl n LYS 33 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ctl n SER 34 N -2.02 1.45 0.19 4.39 7.64 -1.26 -4.03 113.62 119.98 1ctl n SER 34 Ca -0.01 -0.08 0.14 0.00 1.01 0.00 0.00 58.87 59.93 1ctl n SER 34 Cb 0.04 0.15 0.51 0.00 -1.01 0.00 0.00 64.21 63.89 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 -3.40 1.23 -0.12 0.00 2.19 0.22 -4.84 117.98 113.27 1ctl s PHE 36 Ca 0.04 2.01 0.03 0.00 0.33 0.00 0.00 56.93 59.34 1ctl s PHE 36 Cb 0.09 -3.44 0.01 0.00 -1.31 0.00 0.00 43.02 38.37 1ctl s PHE 36 CO 0.51 -1.20 -0.21 1.03 1.83 0.00 0.00 175.22 177.19 1ctl s ARG 37 N 8.54 2.78 -0.31 10.12 0.52 -1.26 -1.89 118.95 137.45 1ctl s ARG 37 Ca 0.86 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 55.02 1ctl s ARG 37 Cb -0.09 -2.21 -0.06 0.00 0.52 0.00 0.00 34.95 33.11 1ctl s ARG 37 CO 0.12 0.04 2.29 0.00 0.02 0.00 0.00 175.30 177.77 1ctl h ALA 39 N 16.27 1.07 0.03 0.00 0.00 -1.89 -0.94 119.26 133.81 1ctl h ALA 39 Ca -0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ctl h ALA 39 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ctl h ALA 39 CO 1.02 0.02 -0.02 -0.22 0.00 0.00 0.00 179.25 180.06 1ctl h LYS 40 N 0.00 -0.04 0.00 0.00 1.63 -1.87 -3.40 116.57 112.89 1ctl h LYS 40 Ca -0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 1ctl h LYS 40 Cb 0.19 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1ctl h LYS 40 CO 0.00 -0.03 -1.38 0.00 -3.45 0.00 0.00 179.45 174.59 1ctl n GLY 42 N 1.42 1.58 3.27 0.00 0.00 -0.38 -5.09 105.19 105.99 1ctl n GLY 42 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.13 2.66 -0.22 1.61 2.47 -1.09 -4.92 119.74 120.12 1ctl s LYS 43 Ca 0.00 -1.14 -0.29 0.00 -1.56 0.00 0.00 55.97 52.98 1ctl s LYS 43 Cb 0.00 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.92 1ctl s LYS 43 CO 0.00 -0.63 1.90 -1.12 0.16 0.00 0.00 175.35 175.66 1ctl s SER 44 N 1.40 5.95 0.32 1.43 0.01 -1.26 -1.91 113.70 119.63 1ctl s SER 44 Ca -0.01 1.72 -0.03 0.00 1.31 0.00 0.00 55.95 58.94 1ctl s SER 44 Cb -0.19 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 1ctl s SER 44 CO 0.02 -1.59 0.43 -1.48 0.41 0.00 0.00 173.24 171.03 1ctl s LEU 45 N 6.59 0.99 0.00 2.44 0.05 -0.79 -4.95 118.68 123.01 1ctl s LEU 45 Ca 0.85 -1.43 0.00 0.00 0.05 0.00 0.00 54.13 53.60 1ctl s LEU 45 Cb -0.29 1.34 0.00 0.00 -2.05 0.00 0.00 46.19 45.19 1ctl s LEU 45 CO 0.34 -1.22 0.00 -1.84 -0.55 0.00 0.00 176.35 173.08 1ctl n GLU 46 N -0.52 0.00 0.14 1.48 0.28 -1.26 -4.48 120.64 116.28 1ctl n GLU 46 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.96 1ctl n GLU 46 Cb 0.62 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.46 1ctl n GLU 46 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1ctl h SER 47 N 0.00 -0.30 0.00 -1.84 0.02 -1.96 -3.39 113.55 106.08 1ctl h SER 47 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1ctl h SER 47 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1ctl h SER 47 CO 0.00 -0.21 0.00 0.41 -1.14 0.00 0.00 176.83 175.89 1ctl n THR 48 N -2.97 0.00 -3.92 -2.27 -1.04 -1.26 -5.00 114.28 97.82 1ctl n THR 48 Ca -0.04 1.17 0.00 0.00 -2.04 0.00 0.00 64.05 63.13 1ctl n THR 48 Cb 0.14 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.52 1ctl n THR 48 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1ctl n THR 49 N -1.22 0.00 -3.51 12.58 5.66 -1.26 -5.08 114.28 121.46 1ctl n THR 49 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ctl n THR 49 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ctl n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ctl n LEU 50 N 0.00 0.00 -3.21 1.09 -0.00 -1.26 -1.40 117.00 112.21 1ctl n LEU 50 Ca 0.00 -0.23 -0.18 0.00 -0.00 0.00 0.00 56.01 55.60 1ctl n LEU 50 Cb 0.00 0.43 -0.06 0.00 -0.00 0.00 0.00 43.42 43.79 1ctl n LEU 50 CO 0.00 -0.08 -0.16 0.00 -0.00 0.00 0.00 177.39 177.15 1ctl s ALA 51 N -1.16 -0.00 0.48 1.47 0.00 0.64 -4.69 121.76 118.50 1ctl s ALA 51 Ca 0.04 -1.54 -0.22 0.00 0.00 0.00 0.00 51.96 50.23 1ctl s ALA 51 Cb -0.00 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 21.04 1ctl s ALA 51 CO 0.01 -2.09 1.16 0.16 0.00 0.00 0.00 175.76 175.00 1ctl s ASP 52 N 0.62 6.04 -0.21 0.00 1.47 -1.26 -2.05 116.67 121.28 1ctl s ASP 52 Ca 0.28 2.28 -0.29 0.00 1.18 0.00 0.00 52.55 55.99 1ctl s ASP 52 Cb -0.02 -2.60 0.15 0.00 -0.34 0.00 0.00 42.92 40.11 1ctl s ASP 52 CO -0.11 -1.01 1.13 -1.59 0.68 0.00 0.00 175.17 174.27 1ctl s LYS 53 N -2.86 0.40 3.37 2.11 0.00 -0.04 -4.58 119.74 118.15 1ctl s LYS 53 Ca 0.66 0.12 0.00 0.00 0.00 0.00 0.00 55.97 56.75 1ctl s LYS 53 Cb -0.27 0.19 0.00 0.00 0.00 0.00 0.00 37.83 37.74 1ctl s LYS 53 CO 0.33 -0.12 0.00 -0.25 0.00 0.00 0.00 175.35 175.31 1ctl n ASP 54 N 0.75 0.00 -0.76 0.03 8.00 -1.26 -1.22 116.55 122.09 1ctl n ASP 54 Ca -0.07 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.42 1ctl n ASP 54 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.00 0.76 3.45 0.44 0.00 -1.26 -4.45 105.19 104.13 1ctl n GLY 55 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1ctl n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ctl s GLU 56 N 0.00 1.63 0.03 1.61 -1.05 -0.35 -5.06 118.70 115.50 1ctl s GLU 56 Ca 0.05 -1.57 -0.02 0.00 -0.15 0.00 0.00 54.97 53.28 1ctl s GLU 56 Cb 0.06 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 1ctl s GLU 56 CO -0.03 -0.65 0.01 0.96 0.95 0.00 0.00 175.26 176.51 1ctl s ILE 57 N -3.63 0.13 0.32 1.83 -4.36 -1.26 -0.86 121.20 113.37 1ctl s ILE 57 Ca 0.30 -1.08 0.03 0.00 -0.26 0.00 0.00 60.65 59.64 1ctl s ILE 57 Cb 0.01 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 43.05 1ctl s ILE 57 CO 0.15 -0.60 0.15 -0.72 0.24 0.00 0.00 174.94 174.16 1ctl s TYR 58 N -2.12 1.66 0.24 1.37 1.13 -0.87 -3.39 117.35 115.37 1ctl s TYR 58 Ca -0.10 -1.32 0.07 0.00 -1.41 0.00 0.00 57.07 54.32 1ctl s TYR 58 Cb -0.05 -0.95 -0.04 0.00 -1.10 0.00 0.00 41.96 39.83 1ctl s TYR 58 CO -0.03 -0.44 0.16 0.00 -2.51 0.00 0.00 175.55 172.73 1ctl n LYS 60 N -1.00 0.21 0.01 0.00 3.00 -0.49 -1.28 118.16 118.60 1ctl n LYS 60 Ca -0.08 0.37 0.04 0.00 -0.00 0.00 0.00 58.31 58.64 1ctl n LYS 60 Cb 0.57 -1.86 0.17 0.00 0.00 0.00 0.00 35.03 33.91 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 0.31 -0.75 0.73 3.14 0.00 -1.26 -1.23 105.19 106.13 1ctl n GLY 61 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.14 0.56 -0.03 0.00 4.19 -0.93 -1.70 117.16 116.11 1ctl n TYR 63 Ca -0.10 0.29 -0.02 0.00 3.31 0.00 0.00 57.90 61.38 1ctl n TYR 63 Cb 0.57 -0.96 -0.01 0.00 0.49 0.00 0.00 39.34 39.43 1ctl n TYR 63 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ctl n ALA 64 N -1.71 0.22 0.24 2.98 0.00 -0.36 -2.50 120.51 119.37 1ctl n ALA 64 Ca -0.01 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.31 1ctl n ALA 64 Cb 0.03 0.01 0.77 0.00 0.00 0.00 0.00 19.45 20.26 1ctl n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ctl h LYS 65 N -0.46 0.00 0.00 0.00 1.57 -0.91 0.56 116.57 117.33 1ctl h LYS 65 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1ctl h LYS 65 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1ctl h LYS 65 CO 0.00 0.00 -0.62 -0.91 -0.57 0.00 0.00 179.45 177.35 1ctl h ASN 66 N 0.00 0.00 -0.38 0.86 -0.26 -1.54 -3.48 115.58 110.79 1ctl h ASN 66 Ca 0.00 -0.20 -0.16 0.00 -0.56 0.00 0.00 56.30 55.37 1ctl h ASN 66 Cb 0.05 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.25 1ctl h ASN 66 CO 0.00 0.94 -0.15 0.33 -1.06 0.00 0.00 177.43 177.49 1ctl n PHE 67 N -4.59 0.00 -0.41 1.19 7.35 0.20 -4.69 117.46 116.51 1ctl n PHE 67 Ca -0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 1ctl n PHE 67 Cb 0.36 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.69 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 0.32 4.55 0.00 7.13 0.00 -1.26 -5.07 105.19 110.86 1ctl n GLY 68 Ca -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.00 1.61 -0.02 -1.26 -5.02 135.00 130.31 1ctl n PRO 69 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ctl n PRO 69 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 1ctl n PRO 69 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1ctl n LYS 70 N -0.08 0.00 -1.58 -0.52 2.85 -1.26 -5.10 118.16 112.47 1ctl n LYS 70 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 1ctl n LYS 70 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 1ctl n LYS 70 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1ctl s GLY 71 N 0.00 -0.54 0.00 2.58 0.00 -1.26 -4.75 107.32 103.34 1ctl s GLY 71 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1ctl s GLY 71 CO 0.00 4.15 0.00 0.33 0.00 0.00 0.00 173.10 177.58 1ctl n PHE 72 N 16.70 0.00 -3.68 1.90 7.35 -1.26 -5.17 117.46 133.29 1ctl n PHE 72 Ca 0.39 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.99 1ctl n PHE 72 Cb 0.51 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.24 1ctl n PHE 72 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1ctl s GLY 73 N 0.00 -0.39 0.37 7.13 0.00 -1.26 -5.14 107.32 108.03 1ctl s GLY 73 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 44.72 46.43 1ctl s GLY 73 CO 0.00 1.81 0.00 0.33 0.00 0.00 0.00 173.10 175.24 1ctl n PHE 74 N 4.19 -2.47 0.00 1.90 -0.00 -1.26 -5.10 117.46 114.72 1ctl n PHE 74 Ca -0.22 1.35 0.00 0.00 -0.00 0.00 0.00 57.45 58.58 1ctl n PHE 74 Cb 0.56 -2.25 0.00 0.00 -0.00 0.00 0.00 39.48 37.79 1ctl n PHE 74 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ctl n GLY 75 N -2.93 3.98 5.07 7.13 0.00 -1.26 -5.02 105.19 112.16 1ctl n GLY 75 Ca -0.04 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.61 0.00 0.00 1.61 -0.06 -1.26 -4.48 117.38 111.58 1ctl n GLN 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ctl n GLN 76 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1ctl n GLN 76 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ctl n GLY 77 N 0.00 -2.46 2.25 1.69 0.00 -1.26 -5.01 105.19 100.40 1ctl n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.09 -2.08 -1.57 4.61 0.00 -1.26 -4.92 120.51 113.20 1ctl n ALA 78 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1ctl n ALA 78 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.70 -4.80 1.82 0.00 0.00 -1.26 -5.08 105.19 97.58 1ctl n GLY 79 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.50 0.00 -1.00 4.61 0.00 -1.26 -5.09 120.51 118.27 1ctl n ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ctl n ALA 80 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.40 0.00 -5.00 0.00 4.77 -1.26 -4.96 117.00 108.15 1ctl n LEU 81 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 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 0.11 -0.63 -1.33 0.00 0.00 177.39 175.54 1ctl s ILE 82 N 0.00 3.35 -0.30 -0.08 -1.09 -1.26 -5.09 121.20 116.72 1ctl s ILE 82 Ca 0.00 -1.01 0.03 0.00 -2.23 0.00 0.00 60.65 57.44 1ctl s ILE 82 Cb 0.00 -3.13 0.08 0.00 -1.58 0.00 0.00 42.46 37.83 1ctl s ILE 82 CO 0.00 -0.05 0.00 -1.00 -1.23 0.00 0.00 174.94 172.66 1ctl s HIS 83 N -2.30 3.24 0.14 3.97 3.76 -1.26 -5.01 115.29 117.84 1ctl s HIS 83 Ca 0.51 -2.54 0.00 0.00 -0.15 0.00 0.00 55.06 52.88 1ctl s HIS 83 Cb -0.10 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.22 1ctl s HIS 83 CO 0.32 -0.90 0.00 0.45 -0.85 0.00 0.00 174.74 173.76 1ctl n SER 84 N 4.41 -7.11 0.00 1.40 2.88 -1.26 -5.26 113.62 108.69 1ctl n SER 84 Ca -0.03 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1ctl n SER 84 Cb 0.42 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 1ctl n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81