#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6o n GLU 2 N 0.00 -0.93 -4.51 1.61 1.02 -1.26 -4.95 120.64 111.63 1s6o n GLU 2 Ca 0.00 0.47 -0.33 0.00 -0.02 0.00 0.00 57.16 57.28 1s6o n GLU 2 Cb 0.00 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 1s6o n GLU 2 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1s6o s VAL 3 N -2.40 3.73 0.11 2.62 1.01 0.53 -4.84 120.40 121.16 1s6o s VAL 3 Ca 0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1s6o s VAL 3 Cb -0.00 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1s6o s VAL 3 CO 0.52 0.49 0.98 0.54 0.00 0.00 0.00 175.10 177.62 1s6o s VAL 4 N -0.92 4.48 -0.02 2.92 0.11 -1.26 -1.07 120.40 124.63 1s6o s VAL 4 Ca 0.15 2.03 0.06 0.00 -2.93 0.00 0.00 61.98 61.30 1s6o s VAL 4 Cb -0.11 -4.30 -0.01 0.00 -1.53 0.00 0.00 36.38 30.42 1s6o s VAL 4 CO 0.05 0.30 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.69 1s6o s LEU 5 N 0.05 2.03 -0.21 2.54 1.98 0.27 -4.65 118.68 120.69 1s6o s LEU 5 Ca 0.48 -0.38 -0.05 0.00 -2.89 0.00 0.00 54.13 51.28 1s6o s LEU 5 Cb -0.24 -1.09 -0.02 0.00 0.66 0.00 0.00 46.19 45.50 1s6o s LEU 5 CO 0.30 0.25 0.01 -0.75 -1.89 0.00 0.00 176.35 174.27 1s6o s LYS 6 N -0.42 3.60 0.38 1.98 2.20 -1.26 -0.63 119.74 125.59 1s6o s LYS 6 Ca 0.06 -0.52 0.08 0.00 -0.36 0.00 0.00 55.97 55.23 1s6o s LYS 6 Cb -0.09 -3.12 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 1s6o s LYS 6 CO -0.00 -0.05 0.08 0.00 -0.36 0.00 0.00 175.35 175.01 1s6o s MET 7 N 1.17 2.11 -0.09 4.03 0.23 0.53 -0.97 119.30 126.32 1s6o s MET 7 Ca 0.03 -1.86 0.02 0.00 -1.03 0.00 0.00 55.69 52.85 1s6o s MET 7 Cb -0.14 -1.89 -0.02 0.00 -1.53 0.00 0.00 34.83 31.25 1s6o s MET 7 CO 0.01 -0.00 -0.14 0.15 -2.03 0.00 0.00 175.02 173.01 1s6o s LYS 8 N -3.79 3.00 -0.54 3.16 -0.14 0.52 -1.11 119.74 120.84 1s6o s LYS 8 Ca 0.37 -0.70 0.07 0.00 -1.36 0.00 0.00 55.97 54.35 1s6o s LYS 8 Cb 0.04 -2.51 0.32 0.00 -1.68 0.00 0.00 37.83 33.99 1s6o s LYS 8 CO 0.20 0.39 0.85 0.28 -0.76 0.00 0.00 175.35 176.31 1s6o n VAL 9 N 3.01 2.12 -2.42 3.17 0.31 0.56 -0.25 118.33 124.83 1s6o n VAL 9 Ca -0.18 -5.24 -0.37 0.00 -0.01 0.00 0.00 64.34 58.54 1s6o n VAL 9 Cb 0.52 -1.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 1s6o n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1s6o s GLU 10 N -2.96 4.06 0.00 5.55 2.02 -1.09 -3.86 118.70 122.42 1s6o s GLU 10 Ca 0.45 1.65 0.00 0.00 0.02 0.00 0.00 54.97 57.09 1s6o s GLU 10 Cb 0.26 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1s6o s GLU 10 CO -0.10 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.32 1s6o n GLY 11 N 0.46 3.30 3.57 -1.39 0.00 -1.26 -3.49 105.19 106.37 1s6o n GLY 11 Ca 0.05 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1s6o n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s6o s MET 12 N 0.00 3.43 0.02 1.61 -1.94 -1.25 -4.78 119.30 116.39 1s6o s MET 12 Ca 0.00 0.08 -0.04 0.00 -1.71 0.00 0.00 55.69 54.01 1s6o s MET 12 Cb 0.00 -4.05 -0.02 0.00 2.01 0.00 0.00 34.83 32.77 1s6o s MET 12 CO 0.00 -1.75 -0.09 0.25 -0.01 0.00 0.00 175.02 173.42 1s6o n THR 13 N 6.55 1.25 -1.68 2.05 -2.24 -1.26 -4.23 114.28 114.71 1s6o n THR 13 Ca 0.06 0.31 -0.45 0.00 -2.27 0.00 0.00 64.05 61.71 1s6o n THR 13 Cb 0.49 -1.77 -0.03 0.00 -2.10 0.00 0.00 70.33 66.92 1s6o n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s6o s HIS 15 N 0.18 1.50 0.00 0.00 -3.43 -1.26 -4.73 115.29 107.55 1s6o s HIS 15 Ca 0.70 1.47 0.00 0.00 -0.80 0.00 0.00 55.06 56.43 1s6o s HIS 15 Cb -0.63 -3.21 0.00 0.00 -1.43 0.00 0.00 32.58 27.31 1s6o s HIS 15 CO 0.47 -3.35 0.00 0.45 -2.00 0.00 0.00 174.74 170.30 1s6o n SER 16 N -4.58 -1.83 0.00 7.38 2.88 -1.26 -5.11 113.62 111.09 1s6o n SER 16 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1s6o n SER 16 Cb 0.53 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 1s6o n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6o n THR 18 N 0.00 0.00 -0.28 0.00 -2.24 -1.26 -0.95 114.28 109.55 1s6o n THR 18 Ca 0.00 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.98 1s6o n THR 18 Cb 0.00 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.62 1s6o n THR 18 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s6o n SER 19 N 0.30 0.12 0.12 3.42 2.88 -1.26 0.10 113.62 119.30 1s6o n SER 19 Ca 0.00 1.41 -0.14 0.00 -1.33 0.00 0.00 58.87 58.81 1s6o n SER 19 Cb 0.00 -0.61 -0.07 0.00 -0.75 0.00 0.00 64.21 62.78 1s6o n SER 19 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1s6o h THR 20 N 0.00 0.19 -0.27 2.46 2.02 -1.46 0.40 112.91 116.24 1s6o h THR 20 Ca 0.62 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.85 1s6o h THR 20 Cb 1.52 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1s6o h THR 20 CO -0.71 0.00 0.03 0.40 0.37 0.00 0.00 175.52 175.61 1s6o h ILE 21 N -0.64 0.84 0.58 3.11 2.04 0.46 -2.48 117.51 121.44 1s6o h ILE 21 Ca 0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1s6o h ILE 21 Cb 0.66 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1s6o h ILE 21 CO -0.22 0.02 -0.48 -0.33 0.00 0.00 0.00 178.15 177.14 1s6o h GLU 22 N 0.13 -1.00 -0.88 2.37 5.08 0.19 0.22 114.58 120.69 1s6o h GLU 22 Ca 0.13 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1s6o h GLU 22 Cb 0.15 0.23 -0.13 0.00 0.50 0.00 0.00 28.75 29.49 1s6o h GLU 22 CO -0.19 -0.67 -0.48 0.78 -1.00 0.00 0.00 179.01 177.46 1s6o h GLY 23 N -1.04 -0.40 0.73 -3.84 0.00 -1.01 0.27 103.07 97.76 1s6o h GLY 23 Ca -0.07 0.64 0.01 0.00 0.00 0.00 0.00 47.33 47.90 1s6o h GLY 23 CO -0.00 -0.10 -0.20 1.70 0.00 0.00 0.00 176.54 177.94 1s6o h LYS 24 N -0.07 -0.39 -0.03 4.80 3.64 -0.90 -2.50 116.57 121.12 1s6o h LYS 24 Ca 0.23 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1s6o h LYS 24 Cb 0.52 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1s6o h LYS 24 CO -0.89 -0.26 0.02 0.82 -2.27 0.00 0.00 179.45 176.88 1s6o h ILE 25 N -0.40 0.79 0.00 2.00 1.08 0.20 -0.78 117.51 120.40 1s6o h ILE 25 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1s6o h ILE 25 Cb 0.40 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1s6o h ILE 25 CO -0.07 0.00 0.30 1.23 -0.69 0.00 0.00 178.15 178.91 1s6o h GLY 26 N 0.00 0.00 1.18 5.37 0.00 -0.03 0.11 103.07 109.70 1s6o h GLY 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1s6o h GLY 26 CO -0.00 0.00 -0.41 0.28 0.00 0.00 0.00 176.54 176.41 1s6o n LYS 27 N -2.78 0.00 -2.33 4.80 5.02 -0.30 -4.95 118.16 117.62 1s6o n LYS 27 Ca -0.02 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 1s6o n LYS 27 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s6o s LEU 28 N -3.00 4.46 -0.12 -0.35 2.01 0.37 -4.92 118.68 117.13 1s6o s LEU 28 Ca 0.12 2.32 -0.29 0.00 0.01 0.00 0.00 54.13 56.28 1s6o s LEU 28 Cb 0.18 -3.61 -0.07 0.00 0.01 0.00 0.00 46.19 42.70 1s6o s LEU 28 CO 0.67 -0.38 2.13 0.00 1.01 0.00 0.00 176.35 179.78 1s6o n GLN 29 N 2.15 2.29 0.00 1.70 10.64 -1.26 -2.08 117.38 130.82 1s6o n GLN 29 Ca 0.03 0.73 0.00 0.00 -1.83 0.00 0.00 57.00 55.93 1s6o n GLN 29 Cb 0.44 -3.14 0.00 0.00 -0.86 0.00 0.00 30.24 26.68 1s6o n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s6o n GLY 30 N 5.32 2.24 3.71 2.61 0.00 -1.26 -3.96 105.19 113.85 1s6o n GLY 30 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1s6o n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s6o s VAL 31 N -2.38 4.76 -0.26 1.61 1.01 -0.88 -3.59 120.40 120.68 1s6o s VAL 31 Ca 0.00 1.99 -0.15 0.00 0.00 0.00 0.00 61.98 63.82 1s6o s VAL 31 Cb 0.00 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 1s6o s VAL 31 CO 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 175.10 175.08 1s6o n GLN 32 N 3.87 0.59 -3.98 2.72 1.13 0.41 -4.89 117.38 117.22 1s6o n GLN 32 Ca 0.06 0.34 -0.09 0.00 -1.94 0.00 0.00 57.00 55.37 1s6o n GLN 32 Cb 0.50 -1.57 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 1s6o n GLN 32 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1s6o s ARG 33 N -2.47 1.61 0.00 -1.09 3.52 -1.07 -5.00 118.95 114.45 1s6o s ARG 33 Ca -0.36 -1.25 -0.06 0.00 -0.13 0.00 0.00 55.73 53.93 1s6o s ARG 33 Cb 0.12 0.49 -0.00 0.00 -1.56 0.00 0.00 34.95 34.00 1s6o s ARG 33 CO 0.53 -0.68 0.12 -1.50 -0.81 0.00 0.00 175.30 172.96 1s6o s ILE 34 N -3.93 0.08 -0.30 4.11 2.07 -1.26 -0.57 121.20 121.40 1s6o s ILE 34 Ca 0.21 -0.67 -0.02 0.00 -1.41 0.00 0.00 60.65 58.77 1s6o s ILE 34 Cb -0.01 -0.40 0.12 0.00 0.13 0.00 0.00 42.46 42.30 1s6o s ILE 34 CO 0.09 -0.37 0.22 -0.54 -1.91 0.00 0.00 174.94 172.44 1s6o s LYS 35 N -1.29 0.31 -0.21 3.50 3.01 0.86 -4.99 119.74 120.93 1s6o s LYS 35 Ca -0.14 -0.46 -0.11 0.00 -1.01 0.00 0.00 55.97 54.25 1s6o s LYS 35 Cb -0.07 -0.93 -0.05 0.00 -1.01 0.00 0.00 37.83 35.77 1s6o s LYS 35 CO 0.01 -1.05 0.16 0.08 0.51 0.00 0.00 175.35 175.06 1s6o s VAL 36 N 2.07 5.38 -0.38 3.17 1.01 -1.26 -0.37 120.40 130.02 1s6o s VAL 36 Ca 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1s6o s VAL 36 Cb -0.16 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1s6o s VAL 36 CO -0.30 0.40 0.23 -0.55 0.00 0.00 0.00 175.10 174.88 1s6o s SER 37 N 0.62 5.82 0.83 3.32 0.15 0.07 -4.79 113.70 119.72 1s6o s SER 37 Ca 0.09 -0.98 -0.12 0.00 0.70 0.00 0.00 55.95 55.64 1s6o s SER 37 Cb -0.12 -2.05 0.09 0.00 -1.71 0.00 0.00 66.02 62.23 1s6o s SER 37 CO 0.01 -0.40 1.15 -0.22 1.20 0.00 0.00 173.24 174.97 1s6o s LEU 38 N 1.58 3.02 0.00 3.45 0.20 -1.26 -2.07 118.68 123.61 1s6o s LEU 38 Ca 0.03 2.14 0.00 0.00 0.69 0.00 0.00 54.13 56.99 1s6o s LEU 38 Cb -0.19 -4.56 0.00 0.00 -0.43 0.00 0.00 46.19 41.01 1s6o s LEU 38 CO 0.07 -2.61 0.00 0.47 -0.29 0.00 0.00 176.35 174.00 1s6o n ASP 39 N -3.64 0.00 0.22 3.68 9.92 -1.25 -4.37 116.55 121.11 1s6o n ASP 39 Ca 0.12 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.43 1s6o n ASP 39 Cb 0.52 0.00 0.49 0.00 -0.64 0.00 0.00 41.12 41.48 1s6o n ASP 39 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1s6o h ASN 40 N 0.00 0.00 -0.47 -2.24 -0.00 -1.89 -3.46 115.58 107.52 1s6o h ASN 40 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.10 1s6o h ASN 40 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 38.24 1s6o h ASN 40 CO 0.00 0.23 -0.18 0.00 -0.00 0.00 0.00 177.43 177.48 1s6o n GLN 41 N -4.16 -1.29 -4.38 6.67 6.02 -0.88 -4.99 117.38 114.37 1s6o n GLN 41 Ca -0.02 0.80 -0.35 0.00 -0.01 0.00 0.00 57.00 57.42 1s6o n GLN 41 Cb 0.29 -4.97 -0.10 0.00 1.02 0.00 0.00 30.24 26.48 1s6o n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s6o s GLU 42 N -2.65 3.02 0.04 -1.09 2.56 -1.22 -0.32 118.70 119.04 1s6o s GLU 42 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.97 54.52 1s6o s GLU 42 Cb 0.00 -2.79 -0.02 0.00 2.00 0.00 0.00 34.13 33.31 1s6o s GLU 42 CO 0.00 0.67 0.02 0.00 -0.56 0.00 0.00 175.26 175.39 1s6o s ALA 43 N -0.79 0.20 -0.08 6.30 0.00 -0.26 -0.75 121.76 126.37 1s6o s ALA 43 Ca 0.12 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1s6o s ALA 43 Cb -0.11 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1s6o s ALA 43 CO 0.02 -0.32 -0.08 0.99 0.00 0.00 0.00 175.76 176.37 1s6o s THR 44 N -2.99 0.94 0.17 0.00 2.01 0.51 -0.34 115.64 115.94 1s6o s THR 44 Ca -0.02 -0.31 0.11 0.00 0.31 0.00 0.00 61.69 61.78 1s6o s THR 44 Cb 0.01 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1s6o s THR 44 CO -0.06 0.33 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.36 1s6o s ILE 45 N 1.16 2.58 -0.18 1.82 1.01 0.20 -0.10 121.20 127.69 1s6o s ILE 45 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 58.74 1s6o s ILE 45 Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1s6o s ILE 45 CO -0.02 -0.06 -0.18 0.54 0.00 0.00 0.00 174.94 175.22 1s6o s VAL 46 N -1.54 2.28 0.38 2.92 0.11 0.27 -0.57 120.40 124.25 1s6o s VAL 46 Ca 0.20 -0.87 -0.12 0.00 -2.93 0.00 0.00 61.98 58.27 1s6o s VAL 46 Cb -0.09 -1.97 0.05 0.00 -1.53 0.00 0.00 36.38 32.84 1s6o s VAL 46 CO 0.11 0.52 0.72 0.00 -3.33 0.00 0.00 175.10 173.11 1s6o n TYR 47 N 4.56 -2.17 -3.98 1.54 0.18 -0.23 -0.45 117.16 116.61 1s6o n TYR 47 Ca -0.20 -1.93 -0.09 0.00 1.88 0.00 0.00 57.90 57.56 1s6o n TYR 47 Cb 0.50 0.84 -0.11 0.00 -0.38 0.00 0.00 39.34 40.20 1s6o n TYR 47 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1s6o s GLN 48 N -2.23 0.39 -1.50 -3.48 -2.07 -1.24 -0.35 119.66 109.19 1s6o s GLN 48 Ca 0.18 -0.69 -0.11 0.00 -1.82 0.00 0.00 55.36 52.92 1s6o s GLN 48 Cb -0.04 0.14 0.00 0.00 -1.09 0.00 0.00 33.01 32.02 1s6o s GLN 48 CO 0.13 -0.07 2.55 -0.35 -1.32 0.00 0.00 175.29 176.23 1s6o n PRO 49 N 1.30 3.51 0.09 9.60 -0.04 -1.26 -3.71 135.00 144.49 1s6o n PRO 49 Ca -0.22 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1s6o n PRO 49 Cb 0.56 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1s6o n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s6o n HIS 50 N 4.26 -1.13 0.11 0.54 8.25 -1.26 -4.86 115.22 121.14 1s6o n HIS 50 Ca 0.64 0.20 0.10 0.00 -0.26 0.00 0.00 57.72 58.40 1s6o n HIS 50 Cb 0.30 0.28 0.02 0.00 1.12 0.00 0.00 29.99 31.71 1s6o n HIS 50 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s6o h LEU 51 N 0.00 0.00 -8.73 2.41 3.38 -1.85 -3.47 115.31 107.05 1s6o h LEU 51 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1s6o h LEU 51 Cb 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.49 1s6o h LEU 51 CO 0.00 0.07 -0.87 -0.51 0.09 0.00 0.00 178.44 177.22 1s6o s ILE 52 N -3.29 2.08 -0.22 1.22 1.10 -1.25 -4.71 121.20 116.13 1s6o s ILE 52 Ca 0.00 -1.41 0.01 0.00 -0.51 0.00 0.00 60.65 58.75 1s6o s ILE 52 Cb 0.09 -1.79 0.14 0.00 0.15 0.00 0.00 42.46 41.04 1s6o s ILE 52 CO 0.77 0.31 1.11 -1.20 -2.11 0.00 0.00 174.94 173.82 1s6o n SER 53 N 1.69 2.95 0.00 4.50 7.64 -1.26 -4.47 113.62 124.67 1s6o n SER 53 Ca -0.17 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.41 1s6o n SER 53 Cb 0.52 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1s6o n SER 53 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1s6o n VAL 54 N 0.17 0.00 0.00 0.44 3.14 -1.26 -3.79 118.33 117.02 1s6o n VAL 54 Ca 0.11 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.31 1s6o n VAL 54 Cb 0.68 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.37 1s6o n VAL 54 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1s6o h GLU 55 N 0.00 0.68 -0.86 1.45 4.57 -2.01 -3.33 114.58 115.07 1s6o h GLU 55 Ca 0.00 -0.63 0.17 0.00 -1.18 0.00 0.00 59.36 57.73 1s6o h GLU 55 Cb 0.00 0.15 -0.16 0.00 -0.16 0.00 0.00 28.75 28.58 1s6o h GLU 55 CO 0.00 1.23 -0.20 0.93 -1.18 0.00 0.00 179.01 179.79 1s6o h GLU 56 N 0.35 0.00 -0.81 1.92 5.08 -1.93 0.38 114.58 119.57 1s6o h GLU 56 Ca -0.08 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.42 1s6o h GLU 56 Cb 1.45 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.56 1s6o h GLU 56 CO 0.16 0.00 -0.35 1.98 -1.00 0.00 0.00 179.01 179.80 1s6o h MET 57 N 0.00 -0.07 -0.27 2.33 4.05 -1.91 0.21 114.93 119.27 1s6o h MET 57 Ca 0.42 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.78 1s6o h MET 57 Cb 0.64 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1s6o h MET 57 CO -0.88 -0.05 -0.07 -0.22 0.23 0.00 0.00 176.91 175.92 1s6o h LYS 58 N -0.07 0.53 -0.76 0.39 3.11 -1.18 -3.01 116.57 115.59 1s6o h LYS 58 Ca 0.30 -0.20 0.16 0.00 -2.81 0.00 0.00 60.65 58.10 1s6o h LYS 58 Cb 0.58 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.73 1s6o h LYS 58 CO -0.85 0.74 0.51 0.87 -2.81 0.00 0.00 179.45 177.91 1s6o h LYS 59 N 0.28 0.37 -0.55 1.90 1.79 0.05 0.13 116.57 120.53 1s6o h LYS 59 Ca 0.07 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 1s6o h LYS 59 Cb 0.55 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1s6o h LYS 59 CO 0.03 0.24 0.16 1.96 -1.08 0.00 0.00 179.45 180.76 1s6o h GLN 60 N 0.38 0.86 -0.28 3.15 1.08 -0.58 0.22 115.11 119.94 1s6o h GLN 60 Ca 0.37 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1s6o h GLN 60 Cb 0.91 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1s6o h GLN 60 CO -0.11 0.79 0.14 0.82 -0.95 0.00 0.00 178.83 179.52 1s6o h ILE 61 N 0.76 1.14 -0.42 2.54 5.03 -1.02 -2.84 117.51 122.70 1s6o h ILE 61 Ca 0.18 -0.38 0.08 0.00 -0.12 0.00 0.00 64.86 64.62 1s6o h ILE 61 Cb 0.29 0.88 -0.08 0.00 -3.03 0.00 0.00 36.82 34.88 1s6o h ILE 61 CO -0.00 0.14 -0.10 -0.33 -0.68 0.00 0.00 178.15 177.17 1s6o h GLU 62 N 0.33 0.00 0.00 2.37 5.08 -0.12 -0.04 114.58 122.20 1s6o h GLU 62 Ca 0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1s6o h GLU 62 Cb 0.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1s6o h GLU 62 CO -0.01 0.00 0.11 0.00 -1.00 0.00 0.00 179.01 178.10 1s6o h ALA 63 N 1.42 1.10 -0.11 3.43 0.00 -0.90 0.11 119.26 124.32 1s6o h ALA 63 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1s6o h ALA 63 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1s6o h ALA 63 CO -0.43 -0.10 -0.02 0.52 0.00 0.00 0.00 179.25 179.22 1s6o h MET 64 N 0.00 0.16 0.00 0.00 2.86 -0.75 -3.46 114.93 113.74 1s6o h MET 64 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1s6o h MET 64 Cb 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1s6o h MET 64 CO 0.00 0.20 0.00 0.41 1.06 0.00 0.00 176.91 178.58 1s6o n GLY 65 N -1.25 0.96 2.98 8.32 0.00 0.36 -5.15 105.19 111.41 1s6o n GLY 65 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1s6o n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6o s PHE 66 N -1.83 -0.29 -0.37 1.61 0.08 -0.96 -5.10 117.98 111.12 1s6o s PHE 66 Ca 0.00 0.74 -0.28 0.00 0.12 0.00 0.00 56.93 57.51 1s6o s PHE 66 Cb 0.00 -0.05 -0.02 0.00 -0.57 0.00 0.00 43.02 42.37 1s6o s PHE 66 CO 0.00 -0.26 1.89 -1.25 -0.10 0.00 0.00 175.22 175.50 1s6o s PRO 67 N 1.71 3.14 0.44 0.24 0.04 -1.23 -4.13 135.00 135.21 1s6o s PRO 67 Ca -0.05 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.41 1s6o s PRO 67 Cb -0.11 -4.27 0.05 0.00 0.04 0.00 0.00 34.50 30.21 1s6o s PRO 67 CO -0.08 -2.10 0.39 0.00 0.04 0.00 0.00 177.00 175.26 1s6o n ALA 68 N 11.13 0.73 -3.49 8.56 0.00 -1.26 -2.66 120.51 133.52 1s6o n ALA 68 Ca 0.24 -1.71 -0.12 0.00 0.00 0.00 0.00 53.44 51.85 1s6o n ALA 68 Cb 0.48 0.65 -0.03 0.00 0.00 0.00 0.00 19.45 20.55 1s6o n ALA 68 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1s6o s PHE 69 N -2.06 -0.48 -0.26 0.00 5.36 0.66 -4.91 117.98 116.29 1s6o s PHE 69 Ca 0.30 0.53 -0.07 0.00 -0.96 0.00 0.00 56.93 56.72 1s6o s PHE 69 Cb -0.02 0.50 -0.02 0.00 -0.34 0.00 0.00 43.02 43.14 1s6o s PHE 69 CO 0.19 -0.62 0.08 0.08 -1.46 0.00 0.00 175.22 173.48 1s6o s VAL 70 N -2.55 4.27 -0.03 3.12 1.01 -1.26 -0.36 120.40 124.59 1s6o s VAL 70 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1s6o s VAL 70 Cb -0.01 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1s6o s VAL 70 CO -0.04 0.27 -0.06 0.29 0.00 0.00 0.00 175.10 175.56 1s6o n LYS 71 N 4.92 0.11 -2.31 2.72 5.02 -0.76 -4.94 118.16 122.92 1s6o n LYS 71 Ca -0.16 0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 56.07 1s6o n LYS 71 Cb 0.51 -0.85 0.13 0.00 -0.02 0.00 0.00 35.03 34.80 1s6o n LYS 71 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1s6o s LYS 72 N -1.33 1.44 0.28 1.97 2.20 -0.14 -4.97 119.74 119.18 1s6o s LYS 72 Ca -0.05 -0.73 -0.21 0.00 -0.36 0.00 0.00 55.97 54.62 1s6o s LYS 72 Cb 0.01 -2.15 0.02 0.00 -1.51 0.00 0.00 37.83 34.20 1s6o s LYS 72 CO 0.07 -1.71 0.72 -1.50 -0.36 0.00 0.00 175.35 172.56 1s6o s ILE 73 N -3.40 0.00 0.40 5.43 2.07 -1.26 -4.50 121.20 119.94 1s6o s ILE 73 Ca 0.68 -0.96 -0.25 0.00 -1.41 0.00 0.00 60.65 58.71 1s6o s ILE 73 Cb -0.06 -1.96 -0.09 0.00 0.13 0.00 0.00 42.46 40.48 1s6o s ILE 73 CO 0.47 -0.00 1.10 -1.61 -1.91 0.00 0.00 174.94 172.99 1s6o s GLU 74 N -3.91 4.13 -0.89 3.50 8.01 -1.26 -4.88 118.70 123.40 1s6o s GLU 74 Ca 0.11 1.65 0.01 0.00 0.01 0.00 0.00 54.97 56.74 1s6o s GLU 74 Cb -0.06 -2.61 0.32 0.00 -4.31 0.00 0.00 34.13 27.46 1s6o s GLU 74 CO 0.06 -0.20 1.43 0.41 0.01 0.00 0.00 175.26 176.97 1s6o n GLY 75 N 0.50 5.69 3.31 -1.39 0.00 -1.26 -5.14 105.19 106.90 1s6o n GLY 75 Ca 0.05 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.39 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19