#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6o s GLU 2 N 0.00 2.10 0.01 1.61 8.01 -1.26 -5.03 118.70 124.13 1s6o s GLU 2 Ca 0.00 -2.03 -0.11 0.00 0.01 0.00 0.00 54.97 52.84 1s6o s GLU 2 Cb 0.00 -1.78 -0.05 0.00 -4.31 0.00 0.00 34.13 27.99 1s6o s GLU 2 CO 0.00 -0.13 0.35 0.54 0.01 0.00 0.00 175.26 176.03 1s6o s VAL 3 N -2.69 5.15 0.14 2.63 0.11 0.21 -4.71 120.40 121.25 1s6o s VAL 3 Ca 0.34 0.53 -0.29 0.00 -2.93 0.00 0.00 61.98 59.64 1s6o s VAL 3 Cb 0.06 -3.63 -0.07 0.00 -1.53 0.00 0.00 36.38 31.22 1s6o s VAL 3 CO 0.18 0.46 0.93 -0.69 -3.33 0.00 0.00 175.10 172.65 1s6o s VAL 4 N -1.21 4.39 -0.02 2.04 1.01 -1.26 -0.82 120.40 124.53 1s6o s VAL 4 Ca 0.26 2.01 0.05 0.00 0.00 0.00 0.00 61.98 64.30 1s6o s VAL 4 Cb -0.15 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1s6o s VAL 4 CO 0.14 0.39 -0.16 -0.22 0.00 0.00 0.00 175.10 175.25 1s6o s LEU 5 N -0.41 1.98 -0.28 3.92 1.98 0.51 -4.85 118.68 121.53 1s6o s LEU 5 Ca 0.44 -0.30 -0.05 0.00 -2.89 0.00 0.00 54.13 51.33 1s6o s LEU 5 Cb -0.24 -0.84 0.02 0.00 0.66 0.00 0.00 46.19 45.79 1s6o s LEU 5 CO 0.30 0.17 0.03 -0.75 -1.89 0.00 0.00 176.35 174.21 1s6o s LYS 6 N -0.21 2.99 0.12 1.98 2.20 -1.26 -0.83 119.74 124.72 1s6o s LYS 6 Ca 0.03 -0.91 0.06 0.00 -0.36 0.00 0.00 55.97 54.79 1s6o s LYS 6 Cb -0.08 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1s6o s LYS 6 CO 0.00 -0.43 -0.00 0.00 -0.36 0.00 0.00 175.35 174.56 1s6o s MET 7 N 1.44 2.49 -0.04 4.03 0.23 0.20 -2.81 119.30 124.83 1s6o s MET 7 Ca 0.02 -0.93 -0.20 0.00 -1.03 0.00 0.00 55.69 53.55 1s6o s MET 7 Cb -0.17 -2.48 -0.05 0.00 -1.53 0.00 0.00 34.83 30.60 1s6o s MET 7 CO 0.00 0.51 0.56 0.15 -2.03 0.00 0.00 175.02 174.22 1s6o s LYS 8 N -2.52 4.31 -0.73 3.16 -0.14 0.69 -0.48 119.74 124.04 1s6o s LYS 8 Ca 0.26 0.65 0.04 0.00 -1.36 0.00 0.00 55.97 55.57 1s6o s LYS 8 Cb -0.11 -3.37 0.19 0.00 -1.68 0.00 0.00 37.83 32.86 1s6o s LYS 8 CO 0.18 0.30 0.58 0.28 -0.76 0.00 0.00 175.35 175.93 1s6o n VAL 9 N 3.05 1.96 -1.40 3.17 0.31 -0.07 -0.48 118.33 124.88 1s6o n VAL 9 Ca -0.07 -4.97 -0.29 0.00 -0.01 0.00 0.00 64.34 59.00 1s6o n VAL 9 Cb 0.51 -2.20 0.14 0.00 -0.91 0.00 0.00 33.84 31.38 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 -1.64 1.19 0.00 5.55 0.41 -1.12 -4.35 118.70 118.74 1s6o s GLU 10 Ca 0.28 0.51 0.00 0.00 -0.41 0.00 0.00 54.97 55.34 1s6o s GLU 10 Cb -0.01 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1s6o s GLU 10 CO -0.14 -2.21 0.00 0.41 -0.49 0.00 0.00 175.26 172.83 1s6o n GLY 11 N -1.74 1.70 7.00 -1.39 0.00 -1.26 -4.38 105.19 105.12 1s6o n GLY 11 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1s6o n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1s6o n MET 12 N 0.00 0.00 -1.65 1.61 0.00 -1.26 -4.88 117.12 110.94 1s6o n MET 12 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 1s6o n MET 12 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.23 1s6o n MET 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1s6o n THR 13 N 0.00 0.00 0.00 1.12 5.66 -1.26 -4.94 114.28 114.86 1s6o n THR 13 Ca 0.00 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1s6o n THR 13 Cb 0.00 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 1s6o n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s6o n HIS 15 N -2.27 1.07 -1.31 0.00 1.44 -1.26 -4.98 115.22 107.92 1s6o n HIS 15 Ca 0.00 -2.33 0.00 0.00 -2.01 0.00 0.00 57.72 53.38 1s6o n HIS 15 Cb 0.00 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 29.91 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1s6o n SER 16 N -0.45 0.00 -3.88 4.39 2.88 -1.26 -4.95 113.62 110.34 1s6o n SER 16 Ca 0.07 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.35 1s6o n SER 16 Cb 0.81 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.28 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 -4.42 0.00 -0.33 0.00 -2.24 -1.26 -4.74 114.28 101.29 1s6o n THR 18 Ca -0.18 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.75 1s6o n THR 18 Cb 0.62 -0.37 0.34 0.00 -2.10 0.00 0.00 70.33 68.83 1s6o n THR 18 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s6o h SER 19 N 0.00 0.59 -0.16 3.42 0.02 -1.90 0.57 113.55 116.09 1s6o h SER 19 Ca 0.00 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1s6o h SER 19 Cb 0.00 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 1s6o h SER 19 CO 0.00 0.11 -0.48 0.74 -1.14 0.00 0.00 176.83 176.06 1s6o h THR 20 N 0.57 0.07 -0.49 -2.27 2.02 -1.98 0.11 112.91 110.93 1s6o h THR 20 Ca 0.60 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.79 1s6o h THR 20 Cb 1.09 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1s6o h THR 20 CO -0.47 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.14 1s6o h ILE 21 N -0.52 1.10 0.34 3.11 5.03 -0.34 -0.01 117.51 126.22 1s6o h ILE 21 Ca 0.06 -0.22 -0.01 0.00 -0.12 0.00 0.00 64.86 64.57 1s6o h ILE 21 Cb 0.65 0.41 -0.02 0.00 -3.03 0.00 0.00 36.82 34.83 1s6o h ILE 21 CO -0.44 0.12 -0.39 -0.33 -0.68 0.00 0.00 178.15 176.43 1s6o h GLU 22 N 0.64 -0.71 -0.41 2.37 5.08 -0.15 0.18 114.58 121.58 1s6o h GLU 22 Ca 0.19 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.68 1s6o h GLU 22 Cb -0.04 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 1s6o h GLU 22 CO -0.06 -0.47 -0.31 0.78 -1.00 0.00 0.00 179.01 177.95 1s6o h GLY 23 N -0.74 -0.19 0.98 -3.84 0.00 -0.75 0.30 103.07 98.84 1s6o h GLY 23 Ca -0.04 0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 1s6o h GLY 23 CO -0.08 -0.21 -0.38 1.70 0.00 0.00 0.00 176.54 177.57 1s6o h LYS 24 N -0.23 -1.04 -0.94 4.80 3.64 -0.77 -2.99 116.57 119.05 1s6o h LYS 24 Ca 0.18 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 1s6o h LYS 24 Cb 0.53 0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.52 1s6o h LYS 24 CO -0.54 -0.68 0.61 0.82 -2.27 0.00 0.00 179.45 177.39 1s6o h ILE 25 N -1.11 1.07 0.00 2.00 5.03 -0.50 0.72 117.51 124.72 1s6o h ILE 25 Ca -0.11 -0.37 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1s6o h ILE 25 Cb 0.83 -0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1s6o h ILE 25 CO 0.18 0.20 0.10 0.61 -0.68 0.00 0.00 178.15 178.56 1s6o n GLY 26 N -1.39 -0.71 0.03 5.37 0.00 0.11 -0.43 105.19 108.17 1s6o n GLY 26 Ca 0.14 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.42 1s6o n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s6o n LYS 27 N -2.05 0.34 -2.19 1.61 4.76 0.24 -4.94 118.16 115.93 1s6o n LYS 27 Ca -0.01 -0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.00 1s6o n LYS 27 Cb 0.13 -1.59 -0.02 0.00 -1.84 0.00 0.00 35.03 31.71 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s6o s LEU 28 N -4.02 4.37 -0.12 -0.35 2.01 0.43 -4.94 118.68 116.06 1s6o s LEU 28 Ca 0.02 2.56 -0.29 0.00 0.01 0.00 0.00 54.13 56.42 1s6o s LEU 28 Cb 0.14 -3.76 -0.07 0.00 0.01 0.00 0.00 46.19 42.51 1s6o s LEU 28 CO 0.83 -0.55 2.11 0.00 1.01 0.00 0.00 176.35 179.75 1s6o n GLN 29 N 0.61 2.28 0.00 1.70 10.64 -1.26 -2.56 117.38 128.79 1s6o n GLN 29 Ca 0.01 0.73 0.00 0.00 -1.83 0.00 0.00 57.00 55.92 1s6o n GLN 29 Cb 0.43 -3.09 0.00 0.00 -0.86 0.00 0.00 30.24 26.72 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 5.28 1.88 3.77 2.61 0.00 -1.26 -3.95 105.19 113.52 1s6o n GLY 30 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.85 4.43 -0.20 1.61 1.01 -1.06 -3.59 120.40 120.75 1s6o s VAL 31 Ca 0.00 1.70 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 1s6o s VAL 31 Cb 0.00 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1s6o s VAL 31 CO 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 175.10 175.37 1s6o n GLN 32 N 1.81 0.45 -3.78 2.72 1.13 0.41 -4.91 117.38 115.20 1s6o n GLN 32 Ca -0.05 0.16 -0.10 0.00 -1.94 0.00 0.00 57.00 55.07 1s6o n GLN 32 Cb 0.49 -1.28 -0.06 0.00 0.11 0.00 0.00 30.24 29.50 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 -2.37 1.06 -0.09 -1.09 6.06 -1.20 -5.00 118.95 116.31 1s6o s ARG 33 Ca -0.27 -0.90 -0.09 0.00 -2.50 0.00 0.00 55.73 51.97 1s6o s ARG 33 Cb 0.09 0.42 0.02 0.00 0.06 0.00 0.00 34.95 35.54 1s6o s ARG 33 CO 0.39 -0.39 0.24 -1.50 -2.50 0.00 0.00 175.30 171.54 1s6o s ILE 34 N -3.86 0.00 -0.24 4.11 2.07 -1.26 -0.95 121.20 121.07 1s6o s ILE 34 Ca 0.07 -0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1s6o s ILE 34 Cb 0.03 -0.35 0.08 0.00 0.13 0.00 0.00 42.46 42.34 1s6o s ILE 34 CO -0.08 -0.02 0.08 -0.54 -1.91 0.00 0.00 174.94 172.47 1s6o s LYS 35 N 0.06 0.51 -0.29 3.50 3.01 0.35 -4.99 119.74 121.88 1s6o s LYS 35 Ca -0.01 -0.58 -0.08 0.00 -1.01 0.00 0.00 55.97 54.29 1s6o s LYS 35 Cb -0.02 -1.84 -0.01 0.00 -1.01 0.00 0.00 37.83 34.95 1s6o s LYS 35 CO 0.00 -0.82 0.12 0.08 0.51 0.00 0.00 175.35 175.24 1s6o s VAL 36 N 1.88 4.41 0.98 3.17 1.01 -1.26 -0.38 120.40 130.20 1s6o s VAL 36 Ca 0.04 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 1s6o s VAL 36 Cb -0.17 -3.21 0.22 0.00 0.00 0.00 0.00 36.38 33.22 1s6o s VAL 36 CO -0.19 0.13 1.34 -0.55 0.00 0.00 0.00 175.10 175.83 1s6o s SER 37 N 1.59 2.87 0.16 3.32 0.15 0.01 -4.86 113.70 116.95 1s6o s SER 37 Ca 0.05 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1s6o s SER 37 Cb -0.17 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1s6o s SER 37 CO 0.05 -2.87 0.00 0.18 1.20 0.00 0.00 173.24 171.80 1s6o n LEU 38 N -3.83 0.70 -0.26 3.45 4.77 -1.26 -4.48 117.00 116.09 1s6o n LEU 38 Ca 0.17 0.25 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 1s6o n LEU 38 Cb 0.59 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1s6o n LEU 38 CO 0.43 -0.76 0.60 0.44 -1.33 0.00 0.00 177.39 176.78 1s6o h ASP 39 N 0.00 -1.32 1.23 -1.43 5.19 -1.95 0.31 116.42 118.45 1s6o h ASP 39 Ca 0.00 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1s6o h ASP 39 Cb 0.02 0.65 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1s6o h ASP 39 CO 0.00 -0.30 -0.03 -3.20 -3.12 0.00 0.00 179.24 172.58 1s6o n ASN 40 N -5.44 0.46 -0.84 6.45 5.15 -1.26 -4.89 115.26 114.89 1s6o n ASN 40 Ca 0.05 0.51 -0.11 0.00 -0.60 0.00 0.00 54.58 54.43 1s6o n ASN 40 Cb 0.37 -0.61 -0.05 0.00 -0.53 0.00 0.00 39.78 38.96 1s6o n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s6o n GLN 41 N -1.92 -1.52 -4.35 1.20 6.02 0.10 -4.94 117.38 111.96 1s6o n GLN 41 Ca 0.06 0.86 -0.21 0.00 -0.01 0.00 0.00 57.00 57.70 1s6o n GLN 41 Cb 0.39 -5.19 -0.11 0.00 1.02 0.00 0.00 30.24 26.35 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 -2.84 1.33 0.03 -1.09 2.12 -1.26 -0.89 118.70 116.09 1s6o s GLU 42 Ca 0.00 -1.49 -0.00 0.00 0.36 0.00 0.00 54.97 53.84 1s6o s GLU 42 Cb 0.00 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.03 1s6o s GLU 42 CO 0.00 0.26 -0.03 0.00 -0.54 0.00 0.00 175.26 174.94 1s6o s ALA 43 N -2.29 0.27 -0.18 6.30 0.00 0.37 -0.81 121.76 125.41 1s6o s ALA 43 Ca 0.19 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1s6o s ALA 43 Cb -0.05 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.29 1s6o s ALA 43 CO 0.07 -0.20 -0.05 0.99 0.00 0.00 0.00 175.76 176.57 1s6o s THR 44 N -2.09 1.21 0.28 0.00 2.01 0.48 -0.63 115.64 116.90 1s6o s THR 44 Ca -0.09 -0.78 0.11 0.00 0.31 0.00 0.00 61.69 61.24 1s6o s THR 44 Cb -0.05 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1s6o s THR 44 CO -0.03 0.07 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.21 1s6o s ILE 45 N 1.58 2.76 -0.13 1.82 1.09 -0.01 -0.49 121.20 127.81 1s6o s ILE 45 Ca -0.01 -2.23 -0.00 0.00 -1.10 0.00 0.00 60.65 57.31 1s6o s ILE 45 Cb -0.16 -2.51 0.03 0.00 -1.06 0.00 0.00 42.46 38.76 1s6o s ILE 45 CO -0.08 -0.37 -0.08 0.54 -0.10 0.00 0.00 174.94 174.85 1s6o s VAL 46 N -2.46 1.14 0.37 2.92 0.11 -0.12 -0.36 120.40 121.99 1s6o s VAL 46 Ca 0.31 -0.42 -0.14 0.00 -2.93 0.00 0.00 61.98 58.80 1s6o s VAL 46 Cb -0.05 -1.17 0.05 0.00 -1.53 0.00 0.00 36.38 33.68 1s6o s VAL 46 CO 0.17 0.34 0.74 -0.72 -3.33 0.00 0.00 175.10 172.30 1s6o s TYR 47 N 1.65 0.23 0.05 1.54 -0.85 -0.00 -0.45 117.35 119.53 1s6o s TYR 47 Ca 0.04 -0.83 0.04 0.00 -0.52 0.00 0.00 57.07 55.79 1s6o s TYR 47 Cb -0.13 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 42.88 1s6o s TYR 47 CO -0.09 -1.49 -0.11 -0.65 -1.52 0.00 0.00 175.55 171.70 1s6o s GLN 48 N -2.53 0.66 -1.15 -3.49 -0.21 -1.24 -0.62 119.66 111.09 1s6o s GLN 48 Ca 0.17 -0.84 -0.24 0.00 0.02 0.00 0.00 55.36 54.48 1s6o s GLN 48 Cb -0.04 -0.54 -0.12 0.00 1.00 0.00 0.00 33.01 33.31 1s6o s GLN 48 CO 0.12 0.11 1.98 -1.25 -2.12 0.00 0.00 175.29 174.14 1s6o s PRO 49 N -1.63 2.20 0.34 2.91 0.04 -1.26 -3.71 135.00 133.89 1s6o s PRO 49 Ca -0.06 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 60.01 1s6o s PRO 49 Cb -0.10 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1s6o s PRO 49 CO 0.01 -4.31 0.00 0.72 0.04 0.00 0.00 177.00 173.46 1s6o n HIS 50 N 15.59 -3.27 0.12 0.56 8.25 -1.26 -4.91 115.22 130.30 1s6o n HIS 50 Ca 0.44 0.86 0.09 0.00 -0.26 0.00 0.00 57.72 58.86 1s6o n HIS 50 Cb 0.47 1.91 0.02 0.00 1.12 0.00 0.00 29.99 33.50 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 -8.69 2.41 3.38 -1.84 -3.46 115.31 107.11 1s6o h LEU 51 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1s6o h LEU 51 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 1s6o h LEU 51 CO 0.00 0.11 -0.84 -0.51 0.09 0.00 0.00 178.44 177.29 1s6o s ILE 52 N -3.25 1.81 -0.60 1.22 1.10 -1.25 -4.74 121.20 115.49 1s6o s ILE 52 Ca 0.01 -1.51 0.00 0.00 -0.51 0.00 0.00 60.65 58.64 1s6o s ILE 52 Cb 0.08 -1.62 0.00 0.00 0.15 0.00 0.00 42.46 41.07 1s6o s ILE 52 CO 0.77 0.03 0.68 -1.20 -2.11 0.00 0.00 174.94 173.11 1s6o n SER 53 N 1.23 1.74 0.00 4.50 7.64 -1.26 -4.30 113.62 123.17 1s6o n SER 53 Ca -0.19 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1s6o n SER 53 Cb 0.53 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1s6o n SER 53 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1s6o n VAL 54 N 0.21 0.00 0.09 0.44 0.31 -1.26 -4.07 118.33 114.05 1s6o n VAL 54 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1s6o n VAL 54 Cb 0.34 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.14 1s6o n VAL 54 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1s6o h GLU 55 N 0.00 0.58 -0.65 5.55 4.57 -2.00 -3.35 114.58 119.27 1s6o h GLU 55 Ca 0.00 -0.80 0.14 0.00 -1.18 0.00 0.00 59.36 57.52 1s6o h GLU 55 Cb 0.00 0.27 -0.11 0.00 -0.16 0.00 0.00 28.75 28.74 1s6o h GLU 55 CO 0.00 1.36 -0.03 0.93 -1.18 0.00 0.00 179.01 180.09 1s6o h GLU 56 N 0.18 0.08 -0.89 1.92 4.39 -1.94 0.13 114.58 118.45 1s6o h GLU 56 Ca -0.19 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.62 1s6o h GLU 56 Cb 1.88 -0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 30.38 1s6o h GLU 56 CO 0.23 0.06 -0.42 -0.12 -1.16 0.00 0.00 179.01 177.60 1s6o n MET 57 N -5.33 -0.28 -0.01 2.33 1.56 -1.26 -0.11 117.12 114.02 1s6o n MET 57 Ca 0.10 1.37 -0.16 0.00 -0.27 0.00 0.00 57.70 58.73 1s6o n MET 57 Cb 0.38 -2.02 -0.11 0.00 2.15 0.00 0.00 33.22 33.62 1s6o n MET 57 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1s6o h LYS 58 N 0.00 0.36 -0.80 2.12 3.11 -1.20 -3.25 116.57 116.91 1s6o h LYS 58 Ca 0.25 -0.35 0.23 0.00 -2.81 0.00 0.00 60.65 57.97 1s6o h LYS 58 Cb 0.47 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.76 1s6o h LYS 58 CO -0.87 1.03 0.60 0.87 -2.81 0.00 0.00 179.45 178.27 1s6o h LYS 59 N -0.18 0.00 -0.37 1.90 6.56 0.10 0.20 116.57 124.78 1s6o h LYS 59 Ca -0.05 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1s6o h LYS 59 Cb 1.17 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 1s6o h LYS 59 CO 0.09 0.00 0.12 -0.56 -2.06 0.00 0.00 179.45 177.04 1s6o h GLN 60 N 0.00 0.53 -0.21 3.15 3.07 -0.54 -0.20 115.11 120.91 1s6o h GLN 60 Ca 0.38 -0.08 -0.09 0.00 0.09 0.00 0.00 58.65 58.95 1s6o h GLN 60 Cb 1.59 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 29.05 1s6o h GLN 60 CO -0.00 0.47 -0.24 0.82 0.09 0.00 0.00 178.83 179.97 1s6o h ILE 61 N 0.53 1.33 -0.49 1.86 5.03 -0.75 -2.61 117.51 122.41 1s6o h ILE 61 Ca 0.13 -1.42 0.10 0.00 -0.12 0.00 0.00 64.86 63.55 1s6o h ILE 61 Cb 0.16 1.77 -0.09 0.00 -3.03 0.00 0.00 36.82 35.63 1s6o h ILE 61 CO -0.01 0.44 -0.07 -0.33 -0.68 0.00 0.00 178.15 177.50 1s6o h GLU 62 N 0.21 0.05 -0.11 2.37 5.08 -1.11 -0.23 114.58 120.84 1s6o h GLU 62 Ca 0.03 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1s6o h GLU 62 Cb 0.80 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1s6o h GLU 62 CO 0.06 0.03 0.18 0.00 -1.00 0.00 0.00 179.01 178.28 1s6o h ALA 63 N 1.47 1.56 -0.05 3.43 0.00 -0.86 0.11 119.26 124.92 1s6o h ALA 63 Ca 0.24 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1s6o h ALA 63 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s6o h ALA 63 CO -0.47 -0.24 -0.32 0.52 0.00 0.00 0.00 179.25 178.75 1s6o h MET 64 N 0.00 0.09 0.00 0.00 2.86 -0.65 -3.47 114.93 113.76 1s6o h MET 64 Ca 0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1s6o h MET 64 Cb 0.42 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1s6o h MET 64 CO -0.00 0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.78 1s6o n GLY 65 N -0.54 3.42 3.68 8.32 0.00 0.37 -5.11 105.19 115.33 1s6o n GLY 65 Ca -0.02 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.07 3.42 -0.07 1.61 0.08 -1.25 -4.98 117.98 116.72 1s6o s PHE 66 Ca 0.00 1.52 -0.29 0.00 0.12 0.00 0.00 56.93 58.27 1s6o s PHE 66 Cb 0.00 -3.24 -0.06 0.00 -0.57 0.00 0.00 43.02 39.16 1s6o s PHE 66 CO 0.00 -0.41 1.77 -1.25 -0.10 0.00 0.00 175.22 175.23 1s6o s PRO 67 N 2.40 4.02 0.25 0.24 0.04 -1.26 -3.74 135.00 136.95 1s6o s PRO 67 Ca 0.48 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.73 1s6o s PRO 67 Cb -0.18 -4.07 0.01 0.00 0.04 0.00 0.00 34.50 30.30 1s6o s PRO 67 CO 0.15 -1.05 0.12 0.00 0.04 0.00 0.00 177.00 176.25 1s6o n ALA 68 N 7.83 0.32 -3.60 8.56 0.00 -1.26 -2.81 120.51 129.55 1s6o n ALA 68 Ca 0.19 -1.05 -0.14 0.00 0.00 0.00 0.00 53.44 52.44 1s6o n ALA 68 Cb 0.43 0.49 -0.07 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.50 -0.63 -0.12 0.00 5.36 0.37 -4.91 117.98 116.54 1s6o s PHE 69 Ca 0.09 1.39 -0.01 0.00 -0.96 0.00 0.00 56.93 57.45 1s6o s PHE 69 Cb -0.01 0.35 -0.02 0.00 -0.34 0.00 0.00 43.02 43.00 1s6o s PHE 69 CO 0.06 -0.40 -0.09 0.08 -1.46 0.00 0.00 175.22 173.41 1s6o s VAL 70 N -0.24 3.44 0.00 3.12 1.01 -1.26 -0.22 120.40 126.25 1s6o s VAL 70 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1s6o s VAL 70 Cb -0.03 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1s6o s VAL 70 CO 0.02 0.53 0.10 0.29 0.00 0.00 0.00 175.10 176.04 1s6o n LYS 71 N 3.19 0.00 -3.59 2.72 5.02 -1.12 -4.97 118.16 119.40 1s6o n LYS 71 Ca -0.18 0.28 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 1s6o n LYS 71 Cb 0.53 -0.84 -0.06 0.00 -0.02 0.00 0.00 35.03 34.63 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 -0.76 0.97 -0.21 1.97 2.20 -1.26 -5.12 119.74 117.53 1s6o s LYS 72 Ca 0.00 0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 55.46 1s6o s LYS 72 Cb 0.00 0.45 0.06 0.00 -1.51 0.00 0.00 37.83 36.82 1s6o s LYS 72 CO 0.00 -0.31 0.55 -1.50 -0.36 0.00 0.00 175.35 173.73 1s6o s ILE 73 N -1.55 -0.00 -0.11 5.43 1.10 -1.26 -4.44 121.20 120.37 1s6o s ILE 73 Ca -0.10 0.01 -0.28 0.00 -0.51 0.00 0.00 60.65 59.77 1s6o s ILE 73 Cb -0.01 -0.77 0.07 0.00 0.15 0.00 0.00 42.46 41.89 1s6o s ILE 73 CO 0.06 0.00 0.66 -1.83 -2.11 0.00 0.00 174.94 171.72 1s6o s GLU 74 N 0.48 0.96 -0.30 3.50 -1.05 -1.26 -5.11 118.70 115.92 1s6o s GLU 74 Ca -0.01 0.44 -0.14 0.00 -0.15 0.00 0.00 54.97 55.11 1s6o s GLU 74 Cb -0.04 0.46 0.18 0.00 -0.44 0.00 0.00 34.13 34.28 1s6o s GLU 74 CO -0.02 -0.25 1.08 0.20 0.95 0.00 0.00 175.26 177.22 1s6o s GLY 75 N -0.74 -0.32 0.00 -3.83 0.00 -1.26 -4.88 107.32 96.29 1s6o s GLY 75 Ca -0.08 2.82 0.00 0.00 0.00 0.00 0.00 44.72 47.46 1s6o s GLY 75 CO 0.07 3.85 0.00 0.54 0.00 0.00 0.00 173.10 177.56