#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8c s ALA 2 N 0.00 2.18 0.31 3.04 0.00 -1.26 -4.78 121.76 121.25 1c8c s ALA 2 Ca 0.00 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.26 1c8c s ALA 2 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 1c8c s ALA 2 CO 0.00 -2.17 0.01 0.95 0.00 0.00 0.00 175.76 174.55 1c8c s THR 3 N -3.55 2.99 -0.04 0.00 -4.23 -1.26 -0.15 115.64 109.40 1c8c s THR 3 Ca 0.66 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1c8c s THR 3 Cb -0.10 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.93 1c8c s THR 3 CO 0.52 -0.28 -0.24 0.54 -0.54 0.00 0.00 174.62 174.61 1c8c s VAL 4 N -2.43 1.96 -0.02 2.29 0.11 -0.04 -4.85 120.40 117.42 1c8c s VAL 4 Ca 0.34 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 1c8c s VAL 4 Cb -0.03 -1.64 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1c8c s VAL 4 CO 0.20 0.55 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.90 1c8c s LYS 5 N -0.32 2.59 0.17 1.54 1.02 -1.26 -1.13 119.74 122.36 1c8c s LYS 5 Ca 0.02 -0.67 -0.21 0.00 0.02 0.00 0.00 55.97 55.13 1c8c s LYS 5 Cb -0.12 -2.51 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 1c8c s LYS 5 CO 0.02 0.62 0.56 -0.59 -0.92 0.00 0.00 175.35 175.04 1c8c s PHE 6 N -0.91 -0.39 -0.17 3.18 -0.71 0.48 -4.94 117.98 114.53 1c8c s PHE 6 Ca 0.15 0.11 -0.03 0.00 -1.04 0.00 0.00 56.93 56.13 1c8c s PHE 6 Cb -0.11 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.18 1c8c s PHE 6 CO 0.05 -0.87 -0.06 -1.59 -1.34 0.00 0.00 175.22 171.41 1c8c s LYS 7 N -3.79 3.52 -0.01 1.99 -2.85 -1.26 0.10 119.74 117.43 1c8c s LYS 7 Ca 0.03 -0.59 0.01 0.00 -1.00 0.00 0.00 55.97 54.42 1c8c s LYS 7 Cb -0.01 -2.87 0.01 0.00 -2.06 0.00 0.00 37.83 32.91 1c8c s LYS 7 CO -0.09 0.12 -0.01 -0.47 0.10 0.00 0.00 175.35 174.99 1c8c s TYR 8 N 0.66 0.25 -0.85 1.78 5.04 0.06 -4.81 117.35 119.50 1c8c s TYR 8 Ca -0.04 -0.02 -0.17 0.00 -2.44 0.00 0.00 57.07 54.41 1c8c s TYR 8 Cb -0.15 -0.26 0.02 0.00 0.35 0.00 0.00 41.96 41.93 1c8c s TYR 8 CO 0.02 -0.06 0.31 0.36 -1.34 0.00 0.00 175.55 174.85 1c8c n LYS 9 N 3.53 -0.63 -1.00 4.97 -0.00 -1.26 -4.35 118.16 119.42 1c8c n LYS 9 Ca -0.19 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 1c8c n LYS 9 Cb 0.55 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 1c8c n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1c8c n GLY 10 N -1.79 -4.24 0.00 2.58 0.00 -1.26 -5.07 105.19 95.41 1c8c n GLY 10 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1c8c n GLY 10 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1c8c n GLU 11 N 0.47 0.00 -2.80 1.61 2.13 -1.26 -5.03 120.64 115.75 1c8c n GLU 11 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 1c8c n GLU 11 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1c8c n GLU 11 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1c8c s GLU 12 N -3.94 4.79 0.15 5.31 8.01 -1.26 -0.76 118.70 131.00 1c8c s GLU 12 Ca 0.00 1.41 0.10 0.00 0.01 0.00 0.00 54.97 56.49 1c8c s GLU 12 Cb 0.00 -3.28 -0.04 0.00 -4.31 0.00 0.00 34.13 26.50 1c8c s GLU 12 CO 0.00 0.52 -0.23 0.15 0.01 0.00 0.00 175.26 175.72 1c8c s LYS 13 N -1.14 1.34 -0.09 1.61 1.02 0.29 -4.92 119.74 117.84 1c8c s LYS 13 Ca 0.40 -1.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 1c8c s LYS 13 Cb -0.25 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1c8c s LYS 13 CO 0.31 0.37 -0.04 -1.14 -0.92 0.00 0.00 175.35 173.93 1c8c s GLN 14 N -2.33 1.07 -0.03 1.68 0.74 -1.26 -0.38 119.66 119.14 1c8c s GLN 14 Ca 0.14 -0.08 0.07 0.00 0.05 0.00 0.00 55.36 55.55 1c8c s GLN 14 Cb -0.09 -1.26 -0.02 0.00 1.10 0.00 0.00 33.01 32.74 1c8c s GLN 14 CO 0.07 -0.27 -0.25 0.08 -0.55 0.00 0.00 175.29 174.37 1c8c s VAL 15 N 1.79 2.14 0.21 1.34 1.01 -0.28 -4.93 120.40 121.66 1c8c s VAL 15 Ca 0.04 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 1c8c s VAL 15 Cb -0.13 -1.75 -0.10 0.00 0.00 0.00 0.00 36.38 34.41 1c8c s VAL 15 CO -0.06 0.58 1.43 -0.62 0.00 0.00 0.00 175.10 176.43 1c8c s ASP 16 N -0.58 6.71 0.59 3.32 -1.08 -1.26 -0.86 116.67 123.51 1c8c s ASP 16 Ca 0.09 2.56 0.37 0.00 -0.52 0.00 0.00 52.55 55.05 1c8c s ASP 16 Cb -0.10 -2.61 1.73 0.00 -1.46 0.00 0.00 42.92 40.47 1c8c s ASP 16 CO -0.00 -0.68 2.12 0.40 0.52 0.00 0.00 175.17 177.52 1c8c h ILE 17 N 3.75 0.05 -0.01 4.11 2.04 -0.85 -0.54 117.51 126.07 1c8c h ILE 17 Ca -0.45 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1c8c h ILE 17 Cb 1.21 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1c8c h ILE 17 CO 0.81 0.01 0.02 0.77 0.00 0.00 0.00 178.15 179.76 1c8c h SER 18 N 0.00 0.00 1.03 1.72 4.64 -1.91 -2.25 113.55 116.78 1c8c h SER 18 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c8c h SER 18 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1c8c h SER 18 CO 0.00 0.00 -0.06 0.29 -0.87 0.00 0.00 176.83 176.19 1c8c n LYS 19 N -3.69 0.05 -2.03 4.77 4.76 -0.21 -4.90 118.16 116.90 1c8c n LYS 19 Ca -0.03 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 1c8c n LYS 19 Cb 0.10 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 31.71 1c8c n LYS 19 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1c8c s ILE 20 N -3.02 2.81 -0.27 -0.18 -1.09 -0.85 -0.81 121.20 117.79 1c8c s ILE 20 Ca 0.13 0.63 -0.08 0.00 -2.23 0.00 0.00 60.65 59.10 1c8c s ILE 20 Cb 0.18 -3.40 -0.14 0.00 -1.58 0.00 0.00 42.46 37.51 1c8c s ILE 20 CO 0.56 0.08 -0.30 1.17 -1.23 0.00 0.00 174.94 175.22 1c8c n LYS 21 N 3.13 0.61 -3.87 2.79 4.81 0.10 -4.89 118.16 120.84 1c8c n LYS 21 Ca 0.10 0.22 -0.12 0.00 -0.87 0.00 0.00 58.31 57.64 1c8c n LYS 21 Cb 0.40 -1.51 -0.13 0.00 0.02 0.00 0.00 35.03 33.81 1c8c n LYS 21 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1c8c s LYS 22 N -2.51 0.06 0.03 1.64 2.20 -1.23 -5.00 119.74 114.93 1c8c s LYS 22 Ca -0.37 -0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1c8c s LYS 22 Cb 0.13 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 1c8c s LYS 22 CO 0.53 -0.01 -0.07 0.54 -0.36 0.00 0.00 175.35 175.98 1c8c s VAL 23 N -0.12 0.51 0.13 4.02 0.11 -1.26 -1.46 120.40 122.33 1c8c s VAL 23 Ca -0.01 -0.88 -0.09 0.00 -2.93 0.00 0.00 61.98 58.06 1c8c s VAL 23 Cb -0.01 -0.55 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1c8c s VAL 23 CO -0.00 -0.27 0.25 -1.66 -3.33 0.00 0.00 175.10 170.10 1c8c s TRP 24 N -1.09 0.24 -0.11 1.54 -2.14 0.33 -4.80 118.94 112.91 1c8c s TRP 24 Ca -0.07 -0.63 -0.03 0.00 2.66 0.00 0.00 56.10 58.03 1c8c s TRP 24 Cb -0.08 -0.03 -0.03 0.00 -3.10 0.00 0.00 33.47 30.23 1c8c s TRP 24 CO 0.00 -0.64 0.01 0.50 -2.66 0.00 0.00 176.95 174.16 1c8c s ARG 25 N -3.91 3.24 -0.51 3.25 3.52 -1.26 -1.37 118.95 121.92 1c8c s ARG 25 Ca 0.10 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1c8c s ARG 25 Cb 0.04 -2.88 0.14 0.00 -1.56 0.00 0.00 34.95 30.68 1c8c s ARG 25 CO -0.06 0.58 0.28 0.08 -0.81 0.00 0.00 175.30 175.37 1c8c s VAL 26 N -0.53 2.07 0.00 7.11 1.01 0.12 -4.98 120.40 125.20 1c8c s VAL 26 Ca 0.09 -3.10 0.00 0.00 0.00 0.00 0.00 61.98 58.97 1c8c s VAL 26 Cb -0.12 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1c8c s VAL 26 CO 0.02 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 174.85 1c8c n GLY 27 N 3.14 3.52 0.38 4.51 0.00 -1.26 -1.06 105.19 114.42 1c8c n GLY 27 Ca 0.09 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.48 1c8c n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c8c n LYS 28 N 10.64 1.38 -3.26 1.61 5.02 -1.26 -4.87 118.16 127.41 1c8c n LYS 28 Ca 0.00 -0.77 -0.38 0.00 -2.02 0.00 0.00 58.31 55.14 1c8c n LYS 28 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 1c8c n LYS 28 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1c8c s MET 29 N -2.15 4.28 -0.37 1.97 1.75 -0.23 -0.28 119.30 124.27 1c8c s MET 29 Ca 0.34 0.63 -0.10 0.00 -1.25 0.00 0.00 55.69 55.32 1c8c s MET 29 Cb 0.21 -3.35 0.04 0.00 2.84 0.00 0.00 34.83 34.56 1c8c s MET 29 CO 0.39 0.36 0.19 0.42 -0.65 0.00 0.00 175.02 175.73 1c8c s ILE 30 N -0.10 4.34 0.01 10.11 -1.09 0.45 -0.70 121.20 134.21 1c8c s ILE 30 Ca 0.29 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1c8c s ILE 30 Cb -0.17 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 1c8c s ILE 30 CO 0.15 -0.27 0.07 -0.55 -1.23 0.00 0.00 174.94 173.11 1c8c s SER 31 N 1.60 5.55 0.23 3.58 0.15 -0.47 -0.93 113.70 123.41 1c8c s SER 31 Ca 0.01 0.09 -0.16 0.00 0.70 0.00 0.00 55.95 56.59 1c8c s SER 31 Cb -0.20 -1.55 0.01 0.00 -1.71 0.00 0.00 66.02 62.57 1c8c s SER 31 CO 0.05 0.26 0.55 0.72 1.20 0.00 0.00 173.24 176.02 1c8c s PHE 32 N -1.20 0.05 0.29 3.44 -0.12 -0.24 -0.51 117.98 119.68 1c8c s PHE 32 Ca 0.23 -0.42 0.11 0.00 -0.05 0.00 0.00 56.93 56.80 1c8c s PHE 32 Cb -0.12 0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 1c8c s PHE 32 CO 0.14 -1.02 -0.17 0.95 -0.05 0.00 0.00 175.22 175.08 1c8c s THR 33 N -3.94 2.49 0.01 -4.49 -4.23 -0.53 -1.92 115.64 103.03 1c8c s THR 33 Ca 0.14 -2.34 -0.14 0.00 -1.18 0.00 0.00 61.69 58.18 1c8c s THR 33 Cb -0.02 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.44 1c8c s THR 33 CO 0.04 -0.36 0.29 -0.72 -0.54 0.00 0.00 174.62 173.33 1c8c s TYR 34 N -2.52 -0.13 0.03 3.99 1.13 -0.11 0.03 117.35 119.77 1c8c s TYR 34 Ca 0.31 0.09 -0.30 0.00 -1.41 0.00 0.00 57.07 55.77 1c8c s TYR 34 Cb -0.04 0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.87 1c8c s TYR 34 CO 0.16 -0.44 0.95 -0.51 -2.51 0.00 0.00 175.55 173.20 1c8c s ASP 35 N -1.68 7.39 0.35 -0.18 1.01 0.01 -0.34 116.67 123.23 1c8c s ASP 35 Ca -0.10 1.67 0.01 0.00 0.71 0.00 0.00 52.55 54.85 1c8c s ASP 35 Cb -0.03 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1c8c s ASP 35 CO 0.01 -0.18 0.09 -0.62 0.21 0.00 0.00 175.17 174.67 1c8c n GLU 36 N 3.51 1.10 -0.85 8.23 1.02 -0.07 -4.88 120.64 128.70 1c8c n GLU 36 Ca 0.04 -2.44 -0.30 0.00 -0.02 0.00 0.00 57.16 54.45 1c8c n GLU 36 Cb 0.50 0.53 0.18 0.00 -0.02 0.00 0.00 31.44 32.64 1c8c n GLU 36 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1c8c s GLY 37 N -3.03 1.61 0.00 0.62 0.00 -1.26 -3.82 107.32 101.45 1c8c s GLY 37 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1c8c s GLY 37 CO 0.04 0.65 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1c8c n GLY 38 N -0.13 0.37 1.91 0.20 0.00 -1.26 -2.45 105.19 103.83 1c8c n GLY 38 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1c8c n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c8c n GLY 39 N -1.74 0.50 3.94 -0.02 0.00 -1.25 -5.03 105.19 101.59 1c8c n GLY 39 Ca 0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1c8c n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c8c s LYS 40 N -0.39 3.50 -0.16 1.61 1.02 -1.03 -4.97 119.74 119.31 1c8c s LYS 40 Ca 0.00 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 55.72 1c8c s LYS 40 Cb 0.00 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.67 1c8c s LYS 40 CO 0.00 0.15 -0.21 0.99 -0.92 0.00 0.00 175.35 175.37 1c8c s THR 41 N -2.29 2.07 0.35 2.17 2.01 -1.26 -0.89 115.64 117.80 1c8c s THR 41 Ca 0.40 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1c8c s THR 41 Cb -0.10 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1c8c s THR 41 CO 0.36 0.54 0.55 -0.83 -0.69 0.00 0.00 174.62 174.55 1c8c s GLY 42 N 1.09 1.36 0.10 4.40 0.00 0.54 -4.91 107.32 109.90 1c8c s GLY 42 Ca -0.00 -0.94 0.10 0.00 0.00 0.00 0.00 44.72 43.88 1c8c s GLY 42 CO -0.08 -0.88 -0.26 0.50 0.00 0.00 0.00 173.10 172.38 1c8c s ARG 43 N -4.32 1.48 0.22 2.90 0.52 -1.26 -0.94 118.95 117.55 1c8c s ARG 43 Ca 0.41 -1.26 -0.23 0.00 -0.52 0.00 0.00 55.73 54.13 1c8c s ARG 43 Cb -0.10 -1.86 0.04 0.00 0.52 0.00 0.00 34.95 33.55 1c8c s ARG 43 CO 0.36 0.45 0.84 0.20 0.02 0.00 0.00 175.30 177.17 1c8c s GLY 44 N -1.81 -0.13 -0.02 -3.53 0.00 -0.81 -4.97 107.32 96.05 1c8c s GLY 44 Ca 0.13 -0.13 -0.27 0.00 0.00 0.00 0.00 44.72 44.44 1c8c s GLY 44 CO 0.05 -0.00 0.61 0.00 0.00 0.00 0.00 173.10 173.75 1c8c s ALA 45 N -3.54 -1.58 0.06 3.20 0.00 -1.26 -1.08 121.76 117.57 1c8c s ALA 45 Ca 0.12 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 53.11 1c8c s ALA 45 Cb -0.04 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1c8c s ALA 45 CO 0.05 -0.41 -0.04 0.14 0.00 0.00 0.00 175.76 175.50 1c8c s VAL 46 N -1.58 0.36 0.46 0.00 -7.23 -0.11 -4.58 120.40 107.71 1c8c s VAL 46 Ca -0.10 -1.82 -0.25 0.00 -1.81 0.00 0.00 61.98 58.00 1c8c s VAL 46 Cb -0.01 -1.54 -0.08 0.00 0.56 0.00 0.00 36.38 35.32 1c8c s VAL 46 CO 0.06 -0.95 1.37 -0.55 -0.31 0.00 0.00 175.10 174.72 1c8c s SER 47 N -2.92 5.89 0.53 4.85 0.15 -1.26 -0.41 113.70 120.52 1c8c s SER 47 Ca 0.08 2.80 0.25 0.00 0.70 0.00 0.00 55.95 59.77 1c8c s SER 47 Cb 0.07 -2.64 1.47 0.00 -1.71 0.00 0.00 66.02 63.20 1c8c s SER 47 CO -0.08 -1.16 2.12 1.05 1.20 0.00 0.00 173.24 176.37 1c8c h GLU 48 N 2.24 0.00 -0.37 5.44 4.11 -0.98 -3.29 114.58 121.72 1c8c h GLU 48 Ca -0.50 0.00 0.05 0.00 0.07 0.00 0.00 59.36 58.97 1c8c h GLU 48 Cb 1.27 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.44 1c8c h GLU 48 CO 0.61 0.09 -0.55 0.87 0.07 0.00 0.00 179.01 180.10 1c8c h LYS 49 N 0.00 -0.40 -0.40 1.06 1.57 -1.91 -2.04 116.57 114.45 1c8c h LYS 49 Ca -0.00 0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.53 1c8c h LYS 49 Cb 0.20 0.09 -0.21 0.00 0.08 0.00 0.00 32.23 32.40 1c8c h LYS 49 CO 0.01 -0.27 -0.55 -0.25 -0.57 0.00 0.00 179.45 177.82 1c8c n ASP 50 N -5.39 3.38 -4.77 0.86 8.00 -1.25 -5.05 116.55 112.33 1c8c n ASP 50 Ca -0.04 -3.83 -0.40 0.00 0.71 0.00 0.00 54.79 51.24 1c8c n ASP 50 Cb 0.35 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 40.99 1c8c n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c8c s ALA 51 N -3.42 3.22 0.32 2.24 0.00 -0.77 -4.94 121.76 118.41 1c8c s ALA 51 Ca 0.45 1.38 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 1c8c s ALA 51 Cb 0.40 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 1c8c s ALA 51 CO -0.01 -1.08 1.45 -2.14 0.00 0.00 0.00 175.76 173.98 1c8c s PRO 52 N -2.41 4.21 0.45 0.00 0.02 -1.26 -4.85 135.00 131.16 1c8c s PRO 52 Ca 0.60 2.42 0.11 0.00 0.02 0.00 0.00 61.00 64.15 1c8c s PRO 52 Cb -0.41 -3.04 1.02 0.00 0.02 0.00 0.00 34.50 32.08 1c8c s PRO 52 CO 0.53 -0.44 2.08 0.87 -0.33 0.00 0.00 177.00 179.72 1c8c h LYS 53 N 3.90 0.34 -0.74 5.54 1.57 -1.99 -0.84 116.57 124.35 1c8c h LYS 53 Ca -0.49 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1c8c h LYS 53 Cb 1.23 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1c8c h LYS 53 CO 0.70 0.23 0.49 1.49 -0.57 0.00 0.00 179.45 181.79 1c8c h GLU 54 N 0.35 0.84 0.01 3.15 4.81 -2.00 0.65 114.58 122.40 1c8c h GLU 54 Ca 0.11 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.11 1c8c h GLU 54 Cb 0.02 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.23 1c8c h GLU 54 CO -0.02 0.55 -0.73 1.25 -0.73 0.00 0.00 179.01 179.33 1c8c h LEU 55 N 0.86 0.62 -0.85 1.64 5.85 -1.54 -2.90 115.31 119.00 1c8c h LEU 55 Ca 0.30 -0.77 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1c8c h LEU 55 Cb 0.12 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1c8c h LEU 55 CO -0.09 1.31 0.41 -0.07 -0.34 0.00 0.00 178.44 179.66 1c8c h LEU 56 N -0.01 1.11 -1.20 2.25 3.38 -0.88 -2.17 115.31 117.79 1c8c h LEU 56 Ca -0.10 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1c8c h LEU 56 Cb 1.44 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1c8c h LEU 56 CO 0.14 0.93 -0.36 0.06 0.09 0.00 0.00 178.44 179.30 1c8c h GLN 57 N 1.21 0.00 -0.84 1.13 3.07 -0.95 -2.48 115.11 116.24 1c8c h GLN 57 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.02 1c8c h GLN 57 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.64 1c8c h GLN 57 CO -0.04 0.36 0.48 1.98 0.09 0.00 0.00 178.83 181.71 1c8c h MET 58 N 0.00 1.16 -0.32 0.06 4.05 -1.18 -1.80 114.93 116.89 1c8c h MET 58 Ca -0.00 -0.12 0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1c8c h MET 58 Cb 0.73 -0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 31.23 1c8c h MET 58 CO 0.05 0.83 -0.12 1.25 0.23 0.00 0.00 176.91 179.15 1c8c h LEU 59 N 1.16 -0.41 -1.09 3.39 5.85 -1.13 -1.88 115.31 121.20 1c8c h LEU 59 Ca 0.30 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1c8c h LEU 59 Cb -0.01 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1c8c h LEU 59 CO -0.05 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.90 1c8c h ALA 60 N 1.24 1.00 -0.47 1.25 0.00 -1.10 -3.12 119.26 118.05 1c8c h ALA 60 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1c8c h ALA 60 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1c8c h ALA 60 CO -0.36 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.52 1c8c n LYS 61 N -2.80 3.30 -4.64 0.00 5.02 -0.72 -4.97 118.16 113.34 1c8c n LYS 61 Ca 0.01 -2.64 -0.27 0.00 -2.02 0.00 0.00 58.31 53.39 1c8c n LYS 61 Cb 0.30 -1.70 -0.17 0.00 -0.02 0.00 0.00 35.03 33.44 1c8c n LYS 61 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1c8c s GLN 62 N -1.84 2.11 0.00 1.97 -2.07 -0.99 -5.04 119.66 113.80 1c8c s GLN 62 Ca 0.41 -0.54 0.00 0.00 -1.82 0.00 0.00 55.36 53.41 1c8c s GLN 62 Cb 0.27 -1.73 0.00 0.00 -1.09 0.00 0.00 33.01 30.46 1c8c s GLN 62 CO 0.18 0.02 0.00 1.17 -1.32 0.00 0.00 175.29 175.34 1c8c n LYS 63 N 3.92 0.00 0.00 9.60 4.81 -1.26 -5.00 118.16 130.23 1c8c n LYS 63 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 1c8c n LYS 63 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1c8c n LYS 63 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20