#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cks s HIS 3 N 0.00 -0.01 0.00 0.00 0.09 -1.26 -5.06 115.29 109.05 1cks s HIS 3 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 55.06 54.72 1cks s HIS 3 Cb 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 32.58 32.92 1cks s HIS 3 CO 0.00 -0.92 0.00 0.36 -0.00 0.00 0.00 174.74 174.18 1cks n LYS 4 N -0.34 -0.47 -3.27 1.40 -0.00 -1.26 -4.94 118.16 109.28 1cks n LYS 4 Ca -0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.84 1cks n LYS 4 Cb 0.62 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.59 1cks n LYS 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1cks s GLN 5 N -0.60 4.21 0.14 -1.58 2.00 -1.26 -4.91 119.66 117.66 1cks s GLN 5 Ca 0.00 0.40 -0.30 0.00 -2.00 0.00 0.00 55.36 53.46 1cks s GLN 5 Cb 0.00 -3.54 -0.07 0.00 0.80 0.00 0.00 33.01 30.20 1cks s GLN 5 CO 0.00 -0.08 1.15 0.42 -0.50 0.00 0.00 175.29 176.27 1cks s ILE 6 N 1.43 3.90 -0.13 -2.34 1.01 -1.26 -4.45 121.20 119.36 1cks s ILE 6 Ca 0.24 1.52 -0.02 0.00 0.00 0.00 0.00 60.65 62.39 1cks s ILE 6 Cb -0.15 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1cks s ILE 6 CO 0.10 0.21 -0.04 -0.47 0.00 0.00 0.00 174.94 174.73 1cks s TYR 7 N 0.26 3.02 -0.23 3.97 5.04 -0.58 -4.97 117.35 123.85 1cks s TYR 7 Ca 0.53 -0.19 -0.06 0.00 -2.44 0.00 0.00 57.07 54.91 1cks s TYR 7 Cb -0.30 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 1cks s TYR 7 CO 0.33 0.09 0.02 0.71 -1.34 0.00 0.00 175.55 175.36 1cks s TYR 8 N -0.01 3.04 0.73 4.97 1.51 -1.26 -0.73 117.35 125.59 1cks s TYR 8 Ca 0.01 -0.58 -0.10 0.00 -1.01 0.00 0.00 57.07 55.39 1cks s TYR 8 Cb -0.13 -2.17 0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1cks s TYR 8 CO 0.03 -0.39 1.08 -1.54 -1.11 0.00 0.00 175.55 173.62 1cks s SER 9 N 1.46 5.01 0.69 2.29 1.04 -0.68 -5.03 113.70 118.48 1cks s SER 9 Ca 0.05 0.81 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 1cks s SER 9 Cb -0.15 -1.50 0.02 0.00 0.10 0.00 0.00 66.02 64.49 1cks s SER 9 CO 0.01 -1.55 1.20 -1.81 0.98 0.00 0.00 173.24 172.07 1cks s ASP 10 N -4.46 4.49 0.46 7.02 1.01 -1.26 -4.69 116.67 119.24 1cks s ASP 10 Ca 0.59 2.33 -0.12 0.00 0.71 0.00 0.00 52.55 56.06 1cks s ASP 10 Cb -0.11 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.17 1cks s ASP 10 CO 0.48 -2.06 0.86 -0.54 0.21 0.00 0.00 175.17 174.12 1cks s LYS 11 N -3.81 3.82 0.23 8.23 1.02 -1.26 -4.68 119.74 123.29 1cks s LYS 11 Ca 0.74 0.64 0.01 0.00 0.02 0.00 0.00 55.97 57.38 1cks s LYS 11 Cb -0.29 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1cks s LYS 11 CO 0.42 -0.15 0.14 1.52 -0.92 0.00 0.00 175.35 176.36 1cks s TYR 12 N -2.52 1.32 0.18 3.18 1.13 -0.73 -4.98 117.35 114.95 1cks s TYR 12 Ca 0.54 -1.37 -0.14 0.00 -1.41 0.00 0.00 57.07 54.69 1cks s TYR 12 Cb -0.10 -0.66 0.01 0.00 -1.10 0.00 0.00 41.96 40.11 1cks s TYR 12 CO 0.33 -0.60 0.42 -0.59 -2.51 0.00 0.00 175.55 172.61 1cks s PHE 13 N -3.97 0.10 0.00 -3.49 -0.71 -1.26 0.05 117.98 108.70 1cks s PHE 13 Ca 0.39 -0.46 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 1cks s PHE 13 Cb 0.06 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 42.08 1cks s PHE 13 CO 0.14 -0.84 0.00 -0.40 -1.34 0.00 0.00 175.22 172.78 1cks n ASP 14 N -0.29 1.25 0.30 1.98 5.68 -0.22 -5.00 116.55 120.26 1cks n ASP 14 Ca -0.09 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.38 1cks n ASP 14 Cb 0.63 0.00 0.95 0.00 -1.14 0.00 0.00 41.12 41.55 1cks n ASP 14 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1cks h GLU 15 N 0.00 0.00 0.00 0.11 5.08 -2.05 -3.36 114.58 114.35 1cks h GLU 15 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cks h GLU 15 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1cks h GLU 15 CO 0.00 0.03 -0.51 0.72 -1.00 0.00 0.00 179.01 178.25 1cks n HIS 16 N -3.47 0.00 -4.25 4.33 8.25 -1.26 -5.12 115.22 113.70 1cks n HIS 16 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 1cks n HIS 16 Cb 0.14 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 1cks n HIS 16 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1cks s TYR 17 N -1.13 1.28 0.20 4.41 2.02 -1.26 -5.14 117.35 117.72 1cks s TYR 17 Ca 0.00 -0.78 0.10 0.00 -0.37 0.00 0.00 57.07 56.02 1cks s TYR 17 Cb 0.00 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 1cks s TYR 17 CO 0.00 0.07 -0.14 -1.83 -1.57 0.00 0.00 175.55 172.07 1cks s GLU 18 N -3.76 1.88 0.06 -0.62 -1.05 -1.26 -1.05 118.70 112.90 1cks s GLU 18 Ca 0.18 -1.39 0.01 0.00 -0.15 0.00 0.00 54.97 53.61 1cks s GLU 18 Cb 0.03 -2.03 -0.03 0.00 -0.44 0.00 0.00 34.13 31.65 1cks s GLU 18 CO 0.01 0.41 -0.05 0.71 0.95 0.00 0.00 175.26 177.29 1cks s TYR 19 N -1.79 0.66 0.11 4.83 1.51 0.11 -4.98 117.35 117.80 1cks s TYR 19 Ca 0.24 -0.81 -0.20 0.00 -1.01 0.00 0.00 57.07 55.29 1cks s TYR 19 Cb -0.08 -0.41 0.05 0.00 -0.11 0.00 0.00 41.96 41.41 1cks s TYR 19 CO 0.14 -0.20 0.50 -0.98 -1.11 0.00 0.00 175.55 173.90 1cks s ARG 20 N -3.04 1.12 0.01 -0.62 1.70 -1.26 -1.77 118.95 115.10 1cks s ARG 20 Ca 0.02 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 1cks s ARG 20 Cb 0.01 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1cks s ARG 20 CO -0.05 -0.45 0.09 -1.01 -1.08 0.00 0.00 175.30 172.81 1cks s HIS 21 N -3.34 3.30 -0.09 5.89 3.76 -1.26 -5.02 115.29 118.53 1cks s HIS 21 Ca -0.00 0.19 0.04 0.00 -0.15 0.00 0.00 55.06 55.14 1cks s HIS 21 Cb 0.00 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1cks s HIS 21 CO -0.09 0.55 -0.21 0.08 -0.85 0.00 0.00 174.74 174.23 1cks s VAL 22 N -1.25 1.79 -0.21 -0.90 1.01 -1.26 -1.69 120.40 117.88 1cks s VAL 22 Ca 0.25 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1cks s VAL 22 Cb -0.12 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1cks s VAL 22 CO 0.16 0.50 0.12 -0.04 0.00 0.00 0.00 175.10 175.84 1cks s MET 23 N 0.42 4.06 -0.02 2.72 -1.94 0.09 -4.96 119.30 119.66 1cks s MET 23 Ca -0.17 -0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1cks s MET 23 Cb -0.17 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 1cks s MET 23 CO 0.07 0.17 0.12 -0.51 -0.01 0.00 0.00 175.02 174.87 1cks s LEU 24 N 0.72 4.12 0.32 -0.03 1.43 -1.26 -1.53 118.68 122.45 1cks s LEU 24 Ca 0.06 0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 53.14 1cks s LEU 24 Cb -0.13 -2.36 -0.13 0.00 0.03 0.00 0.00 46.19 43.61 1cks s LEU 24 CO 0.01 0.29 1.17 -0.81 0.23 0.00 0.00 176.35 177.24 1cks n PRO 25 N 1.22 1.78 -0.34 1.29 -0.04 -1.26 -4.81 135.00 132.86 1cks n PRO 25 Ca -0.13 0.63 0.18 0.00 -0.04 0.00 0.00 63.50 64.13 1cks n PRO 25 Cb 0.53 -2.12 0.41 0.00 -0.04 0.00 0.00 33.50 32.28 1cks n PRO 25 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1cks h ARG 26 N 2.29 0.56 -0.50 0.54 2.43 -1.99 0.24 114.38 117.96 1cks h ARG 26 Ca -0.43 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.77 1cks h ARG 26 Cb 1.31 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.67 1cks h ARG 26 CO 0.62 0.37 0.18 0.93 -1.51 0.00 0.00 179.97 180.55 1cks h GLU 27 N 0.58 0.34 0.03 0.20 3.07 -2.02 -2.37 114.58 114.41 1cks h GLU 27 Ca 0.60 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 59.22 1cks h GLU 27 Cb 1.20 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1cks h GLU 27 CO -0.39 0.22 -0.99 1.25 -1.40 0.00 0.00 179.01 177.70 1cks h LEU 28 N 0.35 0.37 -0.81 1.33 5.85 -1.34 -2.82 115.31 118.23 1cks h LEU 28 Ca 0.24 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1cks h LEU 28 Cb 0.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1cks h LEU 28 CO -0.25 1.16 0.00 -1.54 -0.34 0.00 0.00 178.44 177.47 1cks n SER 29 N -3.64 0.49 0.18 1.25 3.41 -0.73 -0.16 113.62 114.43 1cks n SER 29 Ca -0.06 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 1cks n SER 29 Cb 0.88 -0.75 0.56 0.00 -0.26 0.00 0.00 64.21 64.63 1cks n SER 29 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1cks h LYS 30 N 0.00 0.00 0.00 4.33 1.57 -1.39 -2.66 116.57 118.42 1cks h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cks h LYS 30 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1cks h LYS 30 CO 0.00 0.00 -0.44 1.04 -0.57 0.00 0.00 179.45 179.48 1cks n GLN 31 N -2.55 0.22 -2.30 3.15 3.00 0.77 -4.90 117.38 114.77 1cks n GLN 31 Ca 0.02 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1cks n GLN 31 Cb 0.27 -1.67 -0.03 0.00 0.00 0.00 0.00 30.24 28.81 1cks n GLN 31 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1cks s VAL 32 N -3.12 3.70 0.47 5.09 1.01 -1.00 -4.98 120.40 121.57 1cks s VAL 32 Ca 0.08 1.20 -0.24 0.00 0.00 0.00 0.00 61.98 63.03 1cks s VAL 32 Cb 0.14 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 1cks s VAL 32 CO 0.68 0.08 1.35 -2.65 0.00 0.00 0.00 175.10 174.56 1cks n PRO 33 N 4.16 1.97 -0.01 2.72 -0.02 -1.26 -4.96 135.00 137.61 1cks n PRO 33 Ca 0.11 0.71 0.10 0.00 -2.02 0.00 0.00 63.50 62.39 1cks n PRO 33 Cb 0.44 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 1cks n PRO 33 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1cks n LYS 34 N -0.36 0.53 0.00 -0.52 2.85 -1.26 -4.56 118.16 114.85 1cks n LYS 34 Ca 0.07 -0.11 0.11 0.00 -1.05 0.00 0.00 58.31 57.33 1cks n LYS 34 Cb 0.42 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.30 1cks n LYS 34 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1cks n THR 35 N -1.90 0.00 -3.45 0.58 -2.24 -1.26 -4.98 114.28 101.03 1cks n THR 35 Ca -0.01 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1cks n THR 35 Cb 0.44 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1cks n THR 35 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1cks s HIS 36 N -2.62 -0.51 0.54 4.78 -3.43 -1.26 -5.15 115.29 107.64 1cks s HIS 36 Ca 0.16 0.31 -0.18 0.00 -0.80 0.00 0.00 55.06 54.55 1cks s HIS 36 Cb 0.18 0.52 -0.06 0.00 -1.43 0.00 0.00 32.58 31.79 1cks s HIS 36 CO 0.65 -0.83 1.04 -0.51 -2.00 0.00 0.00 174.74 173.10 1cks s LEU 37 N -2.70 3.65 -0.09 5.38 1.43 -1.26 -4.74 118.68 120.34 1cks s LEU 37 Ca 0.01 1.83 -0.08 0.00 -1.03 0.00 0.00 54.13 54.86 1cks s LEU 37 Cb -0.01 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1cks s LEU 37 CO -0.12 -0.94 0.19 -0.04 0.23 0.00 0.00 176.35 175.66 1cks s MET 38 N -3.74 3.52 0.86 1.70 -1.94 -1.26 -5.09 119.30 113.34 1cks s MET 38 Ca 0.64 -0.05 -0.12 0.00 -1.71 0.00 0.00 55.69 54.46 1cks s MET 38 Cb -0.15 -3.19 0.10 0.00 2.01 0.00 0.00 34.83 33.60 1cks s MET 38 CO 0.29 0.76 1.10 -1.54 -0.01 0.00 0.00 175.02 175.62 1cks s SER 39 N -1.08 3.91 0.37 3.03 1.04 -1.26 -4.44 113.70 115.26 1cks s SER 39 Ca 0.17 1.36 0.05 0.00 0.48 0.00 0.00 55.95 58.01 1cks s SER 39 Cb -0.13 -2.06 0.71 0.00 0.10 0.00 0.00 66.02 64.65 1cks s SER 39 CO 0.06 -2.34 1.99 -0.08 0.98 0.00 0.00 173.24 173.85 1cks h GLU 40 N -1.35 0.63 -0.57 4.02 4.81 -1.99 -2.09 114.58 118.04 1cks h GLU 40 Ca -0.49 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.72 1cks h GLU 40 Cb 1.28 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1cks h GLU 40 CO 0.57 0.48 0.32 0.93 -0.73 0.00 0.00 179.01 180.58 1cks h GLU 41 N 0.64 0.61 -0.14 1.92 3.07 -1.99 -0.60 114.58 118.08 1cks h GLU 41 Ca 0.16 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.82 1cks h GLU 41 Cb 0.04 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1cks h GLU 41 CO -0.02 0.40 -0.57 0.93 -1.40 0.00 0.00 179.01 178.35 1cks h GLU 42 N 0.62 0.64 0.00 2.33 5.08 -1.85 -2.41 114.58 118.99 1cks h GLU 42 Ca 0.24 -0.50 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1cks h GLU 42 Cb 0.09 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1cks h GLU 42 CO -0.13 1.12 -0.22 0.11 -1.00 0.00 0.00 179.01 178.88 1cks h TRP 43 N 0.30 0.00 -0.34 4.33 5.08 -1.20 -2.94 115.95 121.18 1cks h TRP 43 Ca -0.03 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.81 1cks h TRP 43 Cb 1.20 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.35 1cks h TRP 43 CO 0.10 0.22 -0.30 0.00 -1.28 0.00 0.00 178.44 177.17 1cks h ARG 44 N 0.00 0.72 0.00 0.12 3.08 -1.09 -2.44 114.38 114.77 1cks h ARG 44 Ca -0.00 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1cks h ARG 44 Cb 0.93 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 1cks h ARG 44 CO 0.03 0.93 -0.00 0.00 -1.07 0.00 0.00 179.97 179.86 1cks h ARG 45 N 0.61 0.00 0.00 0.04 3.08 -1.24 -0.84 114.38 116.03 1cks h ARG 45 Ca 0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1cks h ARG 45 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1cks h ARG 45 CO 0.07 0.00 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.72 1cks h LEU 46 N 0.00 0.00 0.00 3.04 4.07 -1.42 -3.47 115.31 117.53 1cks h LEU 46 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cks h LEU 46 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1cks h LEU 46 CO 0.00 0.16 0.00 0.61 -1.08 0.00 0.00 178.44 178.13 1cks n GLY 47 N 1.14 0.95 3.71 0.83 0.00 -0.32 -5.08 105.19 106.42 1cks n GLY 47 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1cks n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cks s VAL 48 N -2.00 4.30 -0.11 1.61 1.01 -1.07 -5.01 120.40 119.14 1cks s VAL 48 Ca 0.00 1.68 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 1cks s VAL 48 Cb 0.00 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1cks s VAL 48 CO 0.00 0.15 -0.06 -1.58 0.00 0.00 0.00 175.10 173.61 1cks s GLN 49 N 0.88 1.38 0.10 2.72 2.00 -1.26 -4.23 119.66 121.25 1cks s GLN 49 Ca 0.55 -0.20 -0.05 0.00 -2.00 0.00 0.00 55.36 53.67 1cks s GLN 49 Cb -0.27 -1.49 -0.02 0.00 0.80 0.00 0.00 33.01 32.04 1cks s GLN 49 CO 0.29 -0.27 0.11 -0.65 -0.50 0.00 0.00 175.29 174.28 1cks s GLN 50 N 1.74 0.84 0.00 1.67 -0.21 -1.26 -5.13 119.66 117.31 1cks s GLN 50 Ca 0.05 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.26 1cks s GLN 50 Cb -0.13 0.29 0.00 0.00 1.00 0.00 0.00 33.01 34.17 1cks s GLN 50 CO -0.08 -0.24 0.00 -1.13 -2.12 0.00 0.00 175.29 171.72 1cks n SER 51 N -0.04 -0.47 -4.75 5.90 3.41 -1.26 -4.98 113.62 111.43 1cks n SER 51 Ca -0.12 -0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 57.58 1cks n SER 51 Cb 0.62 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 1cks n SER 51 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1cks s LEU 52 N 0.00 4.41 0.00 1.04 1.98 -1.26 -4.25 118.68 120.61 1cks s LEU 52 Ca 0.00 2.58 0.00 0.00 -2.89 0.00 0.00 54.13 53.82 1cks s LEU 52 Cb 0.00 -3.63 0.00 0.00 0.66 0.00 0.00 46.19 43.22 1cks s LEU 52 CO 0.00 -0.58 0.00 0.61 -1.89 0.00 0.00 176.35 174.49 1cks n GLY 53 N 1.77 0.73 3.74 7.98 0.00 -1.26 -5.05 105.19 113.11 1cks n GLY 53 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1cks n GLY 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cks s TRP 54 N -2.53 3.75 -0.07 1.61 0.52 -1.26 -5.06 118.94 115.91 1cks s TRP 54 Ca 0.00 1.76 0.04 0.00 0.02 0.00 0.00 56.10 57.92 1cks s TRP 54 Cb 0.00 -3.14 -0.00 0.00 -1.15 0.00 0.00 33.47 29.17 1cks s TRP 54 CO 0.00 -0.11 -0.20 0.08 0.02 0.00 0.00 176.95 176.74 1cks s VAL 55 N -0.67 1.73 -0.69 4.03 1.01 -1.26 -4.94 120.40 119.62 1cks s VAL 55 Ca 0.45 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1cks s VAL 55 Cb -0.28 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1cks s VAL 55 CO 0.34 0.49 1.44 -2.28 0.00 0.00 0.00 175.10 175.09 1cks s HIS 56 N 0.18 2.13 -0.32 5.22 2.46 -1.26 -4.83 115.29 118.87 1cks s HIS 56 Ca -0.10 0.23 0.16 0.00 0.47 0.00 0.00 55.06 55.81 1cks s HIS 56 Cb -0.15 -4.47 -0.22 0.00 -0.13 0.00 0.00 32.58 27.62 1cks s HIS 56 CO 0.05 -2.12 0.49 2.48 -2.47 0.00 0.00 174.74 173.17 1cks n TYR 57 N 10.24 0.00 -3.67 3.88 4.11 -1.26 -4.55 117.16 125.92 1cks n TYR 57 Ca 0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.84 1cks n TYR 57 Cb 0.50 -0.22 -0.08 0.00 -0.00 0.00 0.00 39.34 39.54 1cks n TYR 57 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.86 178.27 1cks s MET 58 N -2.87 0.72 0.16 -3.48 0.00 -1.26 -5.10 119.30 107.47 1cks s MET 58 Ca -0.01 0.69 -0.27 0.00 0.00 0.00 0.00 55.69 56.09 1cks s MET 58 Cb 0.11 0.35 -0.07 0.00 0.00 0.00 0.00 34.83 35.21 1cks s MET 58 CO 0.67 -0.11 0.85 0.42 0.00 0.00 0.00 175.02 176.85 1cks s ILE 59 N 0.05 4.37 0.43 10.11 -1.09 -1.26 -5.05 121.20 128.75 1cks s ILE 59 Ca -0.02 1.87 -0.22 0.00 -2.23 0.00 0.00 60.65 60.04 1cks s ILE 59 Cb -0.04 -4.22 -0.09 0.00 -1.58 0.00 0.00 42.46 36.53 1cks s ILE 59 CO 0.02 0.45 1.03 -2.28 -1.23 0.00 0.00 174.94 172.93 1cks s HIS 60 N -0.77 3.21 -0.14 3.97 5.65 -1.26 -4.95 115.29 121.00 1cks s HIS 60 Ca 0.40 1.63 -0.29 0.00 0.25 0.00 0.00 55.06 57.04 1cks s HIS 60 Cb -0.24 -3.06 -0.06 0.00 -1.18 0.00 0.00 32.58 28.05 1cks s HIS 60 CO 0.28 -0.57 2.09 -1.21 -0.65 0.00 0.00 174.74 174.67 1cks s GLU 61 N -2.81 3.52 0.31 2.88 8.01 -1.26 -4.90 118.70 124.45 1cks s GLU 61 Ca 0.61 2.19 -0.29 0.00 0.01 0.00 0.00 54.97 57.49 1cks s GLU 61 Cb -0.18 -4.28 -0.10 0.00 -4.31 0.00 0.00 34.13 25.26 1cks s GLU 61 CO 0.23 -1.66 1.26 -2.14 0.01 0.00 0.00 175.26 172.95 1cks s PRO 62 N 5.59 4.42 0.10 0.39 0.02 -1.26 -4.99 135.00 139.27 1cks s PRO 62 Ca 0.94 2.11 -0.21 0.00 0.02 0.00 0.00 61.00 63.86 1cks s PRO 62 Cb -0.35 -3.11 -0.07 0.00 0.02 0.00 0.00 34.50 30.99 1cks s PRO 62 CO 0.37 -0.10 0.63 -1.21 -0.33 0.00 0.00 177.00 176.36 1cks s GLU 63 N -1.60 4.32 0.70 5.54 8.01 -1.26 -5.04 118.70 129.37 1cks s GLU 63 Ca 0.48 0.86 -0.16 0.00 0.01 0.00 0.00 54.97 56.17 1cks s GLU 63 Cb -0.38 -3.25 0.02 0.00 -4.31 0.00 0.00 34.13 26.21 1cks s GLU 63 CO 0.49 0.61 1.24 -1.25 0.01 0.00 0.00 175.26 176.36 1cks s PRO 64 N -1.09 2.29 -0.33 0.39 0.04 -1.26 -4.97 135.00 130.07 1cks s PRO 64 Ca 0.31 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 1cks s PRO 64 Cb -0.21 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1cks s PRO 64 CO 0.21 -1.75 0.49 -1.01 0.04 0.00 0.00 177.00 174.98 1cks s HIS 65 N -1.75 3.20 -0.15 0.56 3.76 -1.26 -5.04 115.29 114.61 1cks s HIS 65 Ca 0.78 0.28 -0.04 0.00 -0.15 0.00 0.00 55.06 55.92 1cks s HIS 65 Cb -0.32 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.49 1cks s HIS 65 CO 0.43 -0.46 -0.01 0.42 -0.85 0.00 0.00 174.74 174.27 1cks s ILE 66 N 2.33 4.11 -0.08 0.60 1.01 -1.26 -5.11 121.20 122.80 1cks s ILE 66 Ca 0.19 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1cks s ILE 66 Cb -0.16 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1cks s ILE 66 CO 0.12 0.51 0.13 -0.76 0.00 0.00 0.00 174.94 174.93 1cks s LEU 67 N 0.15 4.24 -0.14 2.97 1.43 -1.26 -5.12 118.68 120.96 1cks s LEU 67 Ca 0.00 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1cks s LEU 67 Cb -0.13 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1cks s LEU 67 CO 0.02 0.36 -0.14 -0.76 0.23 0.00 0.00 176.35 176.06 1cks s LEU 68 N -1.29 2.63 0.06 1.79 1.43 -1.26 -5.11 118.68 116.93 1cks s LEU 68 Ca 0.18 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1cks s LEU 68 Cb -0.12 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1cks s LEU 68 CO 0.08 0.14 -0.13 -0.36 0.23 0.00 0.00 176.35 176.32 1cks s PHE 69 N 0.48 1.10 0.08 0.29 0.08 -1.26 -5.16 117.98 113.58 1cks s PHE 69 Ca -0.10 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.48 1cks s PHE 69 Cb -0.16 -0.63 -0.03 0.00 -0.57 0.00 0.00 43.02 41.63 1cks s PHE 69 CO 0.05 0.03 0.07 -0.98 -0.10 0.00 0.00 175.22 174.28 1cks s ARG 70 N -1.53 0.76 -0.03 0.44 1.70 -1.26 -5.18 118.95 113.85 1cks s ARG 70 Ca -0.03 -1.16 -0.21 0.00 -0.47 0.00 0.00 55.73 53.86 1cks s ARG 70 Cb -0.09 0.27 0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1cks s ARG 70 CO 0.02 -0.20 0.46 -0.98 -1.08 0.00 0.00 175.30 173.51 1cks s ARG 71 N -3.92 0.82 0.25 3.89 1.70 -1.26 -5.14 118.95 115.29 1cks s ARG 71 Ca 0.09 -0.00 -0.30 0.00 -0.47 0.00 0.00 55.73 55.05 1cks s ARG 71 Cb 0.07 0.38 -0.14 0.00 -0.57 0.00 0.00 34.95 34.68 1cks s ARG 71 CO -0.08 -0.24 1.14 -2.30 -1.08 0.00 0.00 175.30 172.74 1cks n PRO 72 N 1.15 1.45 -1.26 3.89 -0.02 -1.26 -4.98 135.00 133.97 1cks n PRO 72 Ca -0.20 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 1cks n PRO 72 Cb 0.56 -1.98 0.09 0.00 -0.02 0.00 0.00 33.50 32.15 1cks n PRO 72 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cks s LEU 73 N 0.38 3.02 0.28 2.45 1.43 -1.26 -4.95 118.68 120.03 1cks s LEU 73 Ca 0.65 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.27 1cks s LEU 73 Cb -0.73 -4.51 -0.13 0.00 0.03 0.00 0.00 46.19 40.84 1cks s LEU 73 CO 0.56 -2.04 1.25 -2.65 0.23 0.00 0.00 176.35 173.70 1cks n PRO 74 N -3.52 1.82 -0.31 1.29 -0.02 -1.26 -4.84 135.00 128.15 1cks n PRO 74 Ca 0.09 0.64 0.16 0.00 -2.02 0.00 0.00 63.50 62.37 1cks n PRO 74 Cb 0.53 -2.19 0.33 0.00 -0.02 0.00 0.00 33.50 32.15 1cks n PRO 74 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1cks h LYS 75 N 3.06 0.13 0.00 -0.52 3.64 -1.97 0.12 116.57 121.02 1cks h LYS 75 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1cks h LYS 75 Cb 1.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1cks h LYS 75 CO 0.67 0.08 0.00 -0.40 -2.27 0.00 0.00 179.45 177.54 1cks n ASP 76 N -5.30 0.00 0.03 4.20 5.68 -1.26 -2.31 116.55 117.59 1cks n ASP 76 Ca 0.24 0.18 0.12 0.00 -0.50 0.00 0.00 54.79 54.83 1cks n ASP 76 Cb 0.79 -0.38 0.18 0.00 -1.14 0.00 0.00 41.12 40.56 1cks n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cks n GLN 77 N -1.38 0.18 -1.80 0.11 6.02 0.41 -4.96 117.38 115.96 1cks n GLN 77 Ca 0.10 0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.81 1cks n GLN 77 Cb 0.25 -1.60 0.03 0.00 1.02 0.00 0.00 30.24 29.94 1cks n GLN 77 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1cks s GLN 78 N -3.11 3.21 0.00 -1.09 -0.21 -0.98 -5.00 119.66 112.49 1cks s GLN 78 Ca 0.08 0.98 0.00 0.00 0.02 0.00 0.00 55.36 56.44 1cks s GLN 78 Cb 0.15 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 32.14 1cks s GLN 78 CO 0.73 -0.88 0.37 1.17 -2.12 0.00 0.00 175.29 174.56