#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 -0.54 -3.80 1.61 0.28 -1.23 -4.67 120.64 112.29 1s6o n GLU 2 Ca 0.00 -0.14 -0.34 0.00 -0.16 0.00 0.00 57.16 56.52 1s6o n GLU 2 Cb 0.00 0.03 -0.05 0.00 1.43 0.00 0.00 31.44 32.85 1s6o n GLU 2 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1s6o s VAL 3 N -3.30 5.34 -0.12 3.84 -7.23 0.54 -4.70 120.40 114.76 1s6o s VAL 3 Ca 0.03 0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.98 1s6o s VAL 3 Cb -0.02 -3.56 -0.01 0.00 0.56 0.00 0.00 36.38 33.35 1s6o s VAL 3 CO 0.13 0.34 1.05 -0.69 -0.31 0.00 0.00 175.10 175.62 1s6o s VAL 4 N -1.32 4.68 -0.03 1.32 1.01 -1.26 -1.92 120.40 122.88 1s6o s VAL 4 Ca 0.28 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.23 1s6o s VAL 4 Cb -0.13 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1s6o s VAL 4 CO 0.17 -0.03 0.00 -0.22 0.00 0.00 0.00 175.10 175.02 1s6o s LEU 5 N 2.29 3.53 -0.22 3.92 2.96 0.35 -4.90 118.68 126.61 1s6o s LEU 5 Ca 0.49 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.40 1s6o s LEU 5 Cb -0.19 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1s6o s LEU 5 CO 0.16 0.31 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.71 1s6o s LYS 6 N -1.34 3.40 0.30 1.98 2.20 -1.26 -1.00 119.74 124.02 1s6o s LYS 6 Ca 0.18 -0.61 0.09 0.00 -0.36 0.00 0.00 55.97 55.26 1s6o s LYS 6 Cb -0.11 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1s6o s LYS 6 CO 0.08 -0.17 0.09 0.00 -0.36 0.00 0.00 175.35 174.99 1s6o s MET 7 N 1.41 2.40 -0.21 4.03 0.23 0.41 -3.26 119.30 124.30 1s6o s MET 7 Ca 0.05 -1.44 -0.13 0.00 -1.03 0.00 0.00 55.69 53.13 1s6o s MET 7 Cb -0.14 -2.21 -0.04 0.00 -1.53 0.00 0.00 34.83 30.90 1s6o s MET 7 CO -0.02 0.24 0.27 0.15 -2.03 0.00 0.00 175.02 173.63 1s6o s LYS 8 N -3.78 4.14 -0.73 3.16 -0.14 0.49 -1.29 119.74 121.60 1s6o s LYS 8 Ca 0.35 -0.03 0.04 0.00 -1.36 0.00 0.00 55.97 54.97 1s6o s LYS 8 Cb -0.05 -3.52 0.24 0.00 -1.68 0.00 0.00 37.83 32.82 1s6o s LYS 8 CO 0.22 0.05 0.80 0.28 -0.76 0.00 0.00 175.35 175.94 1s6o n VAL 9 N 4.20 2.68 -2.06 3.17 0.31 0.54 -0.96 118.33 126.21 1s6o n VAL 9 Ca -0.12 -5.25 -0.28 0.00 -0.01 0.00 0.00 64.34 58.68 1s6o n VAL 9 Cb 0.52 -2.14 0.16 0.00 -0.91 0.00 0.00 33.84 31.47 1s6o n VAL 9 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1s6o s GLU 10 N -2.26 1.04 0.00 5.55 -1.05 -1.26 -4.40 118.70 116.32 1s6o s GLU 10 Ca 0.35 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 1s6o s GLU 10 Cb 0.09 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.81 1s6o s GLU 10 CO -0.03 -2.10 0.00 0.41 0.95 0.00 0.00 175.26 174.49 1s6o n GLY 11 N -3.51 1.37 3.71 -3.83 0.00 -1.26 -4.67 105.19 96.99 1s6o n GLY 11 Ca 0.14 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1s6o n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s6o n MET 12 N 0.00 2.60 -2.72 1.61 2.81 -1.26 -4.93 117.12 115.22 1s6o n MET 12 Ca 0.00 0.94 -0.05 0.00 -1.81 0.00 0.00 57.70 56.77 1s6o n MET 12 Cb 0.00 -2.76 0.04 0.00 -0.71 0.00 0.00 33.22 29.79 1s6o n MET 12 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1s6o n THR 13 N 3.74 0.00 -2.02 2.03 5.66 -1.26 -4.70 114.28 117.72 1s6o n THR 13 Ca 0.16 -0.97 -0.05 0.00 -3.05 0.00 0.00 64.05 60.14 1s6o n THR 13 Cb 0.33 1.12 -0.05 0.00 -1.55 0.00 0.00 70.33 70.18 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 0.02 -0.96 0.01 0.00 -0.00 -1.26 -4.52 115.22 108.52 1s6o n HIS 15 Ca -0.21 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1s6o n HIS 15 Cb 0.69 -2.10 0.00 0.00 -0.12 0.00 0.00 29.99 28.46 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1s6o n SER 16 N -1.99 -0.27 -3.61 0.26 2.88 -1.26 -5.00 113.62 104.64 1s6o n SER 16 Ca -0.22 0.06 -0.42 0.00 -1.33 0.00 0.00 58.87 56.96 1s6o n SER 16 Cb 0.51 0.69 -0.04 0.00 -0.75 0.00 0.00 64.21 64.62 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 5.70 0.00 -0.32 0.00 -2.24 -1.26 -4.80 114.28 111.36 1s6o n THR 18 Ca 0.50 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.35 1s6o n THR 18 Cb 0.38 -0.38 0.27 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.86 -0.05 3.42 0.02 -1.92 0.37 113.55 116.26 1s6o h SER 19 Ca 0.00 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1s6o h SER 19 Cb 0.00 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1s6o h SER 19 CO 0.00 0.50 -0.24 0.74 -1.14 0.00 0.00 176.83 176.69 1s6o h THR 20 N 0.95 0.44 0.18 -2.27 2.02 -1.93 0.23 112.91 112.53 1s6o h THR 20 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.62 1s6o h THR 20 Cb 0.40 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1s6o h THR 20 CO -0.20 0.00 -0.17 0.40 0.37 0.00 0.00 175.52 175.92 1s6o h ILE 21 N -0.35 0.63 0.34 3.11 5.03 -0.76 -0.15 117.51 125.36 1s6o h ILE 21 Ca 0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.80 1s6o h ILE 21 Cb 0.46 0.63 -0.01 0.00 -3.03 0.00 0.00 36.82 34.87 1s6o h ILE 21 CO -0.25 0.00 -0.25 -0.33 -0.68 0.00 0.00 178.15 176.64 1s6o h GLU 22 N -0.37 -0.54 -0.47 2.37 5.08 -0.34 0.51 114.58 120.81 1s6o h GLU 22 Ca -0.00 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1s6o h GLU 22 Cb 0.35 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.62 1s6o h GLU 22 CO -0.04 -0.36 -0.25 0.78 -1.00 0.00 0.00 179.01 178.14 1s6o h GLY 23 N -0.57 0.02 0.94 -3.84 0.00 -0.61 0.40 103.07 99.41 1s6o h GLY 23 Ca -0.04 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1s6o h GLY 23 CO 0.02 -0.21 -0.13 1.70 0.00 0.00 0.00 176.54 177.92 1s6o h LYS 24 N -0.15 -0.34 -0.20 4.80 3.64 -0.90 -2.41 116.57 121.01 1s6o h LYS 24 Ca 0.22 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1s6o h LYS 24 Cb 0.49 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1s6o h LYS 24 CO -0.57 -0.18 0.14 0.82 -2.27 0.00 0.00 179.45 177.39 1s6o h ILE 25 N -0.42 0.96 -0.02 2.00 1.08 -0.48 -0.82 117.51 119.81 1s6o h ILE 25 Ca -0.04 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1s6o h ILE 25 Cb 0.32 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1s6o h ILE 25 CO 0.06 0.02 0.20 1.23 -0.69 0.00 0.00 178.15 178.97 1s6o h GLY 26 N 0.10 0.00 1.01 5.37 0.00 0.32 0.98 103.07 110.85 1s6o h GLY 26 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1s6o h GLY 26 CO -0.01 0.00 -0.49 0.28 0.00 0.00 0.00 176.54 176.32 1s6o n LYS 27 N -3.02 0.01 -2.10 4.80 5.02 -0.31 -4.88 118.16 117.67 1s6o n LYS 27 Ca -0.02 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 1s6o n LYS 27 Cb 0.26 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.99 4.39 -0.46 -0.35 2.01 0.34 -4.88 118.68 116.73 1s6o s LEU 28 Ca 0.11 2.50 -0.30 0.00 0.01 0.00 0.00 54.13 56.45 1s6o s LEU 28 Cb 0.18 -3.61 -0.10 0.00 0.01 0.00 0.00 46.19 42.67 1s6o s LEU 28 CO 0.69 -0.65 2.35 0.00 1.01 0.00 0.00 176.35 179.76 1s6o n GLN 29 N 2.98 1.09 0.00 1.70 10.64 -1.26 -1.36 117.38 131.17 1s6o n GLN 29 Ca 0.08 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1s6o n GLN 29 Cb 0.41 -2.86 0.00 0.00 -0.86 0.00 0.00 30.24 26.93 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 6.19 1.04 3.72 2.61 0.00 -1.26 -3.65 105.19 113.84 1s6o n GLY 30 Ca 0.41 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.03 4.68 -0.26 1.61 1.01 -0.46 -3.74 120.40 122.21 1s6o s VAL 31 Ca 0.00 2.03 -0.11 0.00 0.00 0.00 0.00 61.98 63.90 1s6o s VAL 31 Cb 0.00 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.93 1s6o s VAL 31 CO 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 175.10 175.09 1s6o n GLN 32 N 3.45 0.61 -3.93 2.72 1.13 0.45 -4.89 117.38 116.92 1s6o n GLN 32 Ca 0.05 0.27 -0.09 0.00 -1.94 0.00 0.00 57.00 55.29 1s6o n GLN 32 Cb 0.50 -1.54 -0.05 0.00 0.11 0.00 0.00 30.24 29.26 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 -2.50 1.39 -0.08 -1.09 6.06 -1.16 -5.00 118.95 116.57 1s6o s ARG 33 Ca -0.36 -1.14 -0.13 0.00 -2.50 0.00 0.00 55.73 51.59 1s6o s ARG 33 Cb 0.12 0.45 0.03 0.00 0.06 0.00 0.00 34.95 35.61 1s6o s ARG 33 CO 0.54 -0.56 0.33 -1.50 -2.50 0.00 0.00 175.30 171.61 1s6o s ILE 34 N -3.97 0.02 -0.10 4.11 2.07 -1.26 -0.93 121.20 121.14 1s6o s ILE 34 Ca 0.18 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1s6o s ILE 34 Cb 0.00 -0.54 0.02 0.00 0.13 0.00 0.00 42.46 42.08 1s6o s ILE 34 CO 0.04 -0.10 -0.08 -0.54 -1.91 0.00 0.00 174.94 172.35 1s6o s LYS 35 N -0.42 1.44 -0.33 3.50 3.01 0.65 -4.99 119.74 122.59 1s6o s LYS 35 Ca -0.05 -0.25 0.02 0.00 -1.01 0.00 0.00 55.97 54.68 1s6o s LYS 35 Cb -0.04 -1.45 0.09 0.00 -1.01 0.00 0.00 37.83 35.42 1s6o s LYS 35 CO 0.02 -0.20 0.05 0.08 0.51 0.00 0.00 175.35 175.81 1s6o s VAL 36 N 1.46 2.57 -0.70 3.17 1.01 -1.26 -0.25 120.40 126.40 1s6o s VAL 36 Ca -0.00 -2.03 -0.24 0.00 0.00 0.00 0.00 61.98 59.71 1s6o s VAL 36 Cb -0.13 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.56 1s6o s VAL 36 CO -0.05 -0.45 1.09 -0.44 0.00 0.00 0.00 175.10 175.25 1s6o s SER 37 N 1.19 6.19 1.15 3.32 0.01 -0.61 -4.83 113.70 120.11 1s6o s SER 37 Ca 0.05 -0.85 -0.18 0.00 1.31 0.00 0.00 55.95 56.28 1s6o s SER 37 Cb -0.20 -2.47 0.16 0.00 0.21 0.00 0.00 66.02 63.72 1s6o s SER 37 CO -0.06 -1.57 0.23 0.18 0.41 0.00 0.00 173.24 172.43 1s6o n LEU 38 N 8.26 -2.24 0.00 2.44 4.77 -1.26 -2.64 117.00 126.33 1s6o n LEU 38 Ca 0.00 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1s6o n LEU 38 Cb 0.47 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1s6o n LEU 38 CO 0.66 -3.16 0.00 0.47 -1.33 0.00 0.00 177.39 174.04 1s6o n ASP 39 N -2.46 0.00 0.27 -1.43 9.92 -1.26 -4.25 116.55 117.34 1s6o n ASP 39 Ca 0.01 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.40 1s6o n ASP 39 Cb 0.60 0.00 0.77 0.00 -0.64 0.00 0.00 41.12 41.85 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 -1.17 -2.24 -0.00 -1.97 -3.46 115.58 106.74 1s6o h ASN 40 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 55.99 1s6o h ASN 40 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 38.32 38.23 1s6o h ASN 40 CO 0.00 0.09 -0.32 0.00 -0.00 0.00 0.00 177.43 177.21 1s6o n GLN 41 N -3.68 -1.10 -5.25 6.67 6.02 -1.08 -5.00 117.38 113.96 1s6o n GLN 41 Ca -0.02 0.94 -0.32 0.00 -0.01 0.00 0.00 57.00 57.60 1s6o n GLN 41 Cb 0.21 -5.15 -0.16 0.00 1.02 0.00 0.00 30.24 26.15 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 -3.75 2.57 0.09 -1.09 2.12 -1.15 -0.34 118.70 117.15 1s6o s GLU 42 Ca 0.00 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 54.48 1s6o s GLU 42 Cb 0.00 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 1s6o s GLU 42 CO 0.00 0.38 -0.12 0.00 -0.54 0.00 0.00 175.26 174.98 1s6o s ALA 43 N -0.16 1.12 -0.11 6.30 0.00 -0.41 -1.57 121.76 126.93 1s6o s ALA 43 Ca -0.04 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 1s6o s ALA 43 Cb -0.14 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1s6o s ALA 43 CO 0.04 0.05 -0.08 0.99 0.00 0.00 0.00 175.76 176.76 1s6o s THR 44 N -1.89 1.04 0.17 0.00 2.01 0.66 -0.45 115.64 117.18 1s6o s THR 44 Ca 0.02 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 61.80 1s6o s THR 44 Cb -0.06 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1s6o s THR 44 CO 0.01 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.48 1s6o s ILE 45 N 1.63 1.96 -0.14 1.82 1.09 -0.17 -0.26 121.20 127.13 1s6o s ILE 45 Ca 0.04 -1.91 0.00 0.00 -1.10 0.00 0.00 60.65 57.68 1s6o s ILE 45 Cb -0.13 -1.89 0.03 0.00 -1.06 0.00 0.00 42.46 39.40 1s6o s ILE 45 CO -0.07 -0.23 -0.11 0.54 -0.10 0.00 0.00 174.94 174.97 1s6o s VAL 46 N -1.84 1.36 0.38 2.92 0.11 -0.11 -0.50 120.40 122.73 1s6o s VAL 46 Ca 0.16 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.53 1s6o s VAL 46 Cb -0.07 -1.34 0.05 0.00 -1.53 0.00 0.00 36.38 33.49 1s6o s VAL 46 CO 0.07 0.37 0.73 0.00 -3.33 0.00 0.00 175.10 172.94 1s6o n TYR 47 N 4.83 -2.19 -4.22 1.54 0.18 -0.81 -0.41 117.16 116.08 1s6o n TYR 47 Ca -0.15 -1.92 -0.17 0.00 1.88 0.00 0.00 57.90 57.54 1s6o n TYR 47 Cb 0.49 0.85 -0.13 0.00 -0.38 0.00 0.00 39.34 40.18 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 -2.21 0.70 -0.93 -3.48 -2.07 -1.25 -0.34 119.66 110.09 1s6o s GLN 48 Ca 0.18 -0.65 -0.23 0.00 -1.82 0.00 0.00 55.36 52.84 1s6o s GLN 48 Cb -0.04 -0.63 -0.14 0.00 -1.09 0.00 0.00 33.01 31.11 1s6o s GLN 48 CO 0.13 0.15 1.91 -0.35 -1.32 0.00 0.00 175.29 175.82 1s6o n PRO 49 N 1.95 1.41 0.18 9.60 -0.04 -1.26 -3.60 135.00 143.24 1s6o n PRO 49 Ca -0.19 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1s6o n PRO 49 Cb 0.55 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 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 11.26 -3.32 0.09 0.54 8.25 -1.26 -4.91 115.22 125.88 1s6o n HIS 50 Ca 0.47 0.84 -0.02 0.00 -0.26 0.00 0.00 57.72 58.75 1s6o n HIS 50 Cb 0.44 1.69 -0.05 0.00 1.12 0.00 0.00 29.99 33.19 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 -8.63 2.41 4.07 -1.82 -3.46 115.31 107.88 1s6o h LEU 51 Ca 0.00 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 57.32 1s6o h LEU 51 Cb 0.00 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 41.48 1s6o h LEU 51 CO 0.00 0.75 -0.86 -0.51 -1.08 0.00 0.00 178.44 176.73 1s6o s ILE 52 N -2.83 1.90 -0.69 1.22 1.10 -1.24 -4.77 121.20 115.88 1s6o s ILE 52 Ca 0.02 -1.27 0.00 0.00 -0.51 0.00 0.00 60.65 58.89 1s6o s ILE 52 Cb 0.09 -1.63 0.00 0.00 0.15 0.00 0.00 42.46 41.06 1s6o s ILE 52 CO 0.78 0.31 0.57 -1.20 -2.11 0.00 0.00 174.94 173.29 1s6o n SER 53 N 1.88 1.40 0.00 4.50 7.64 -1.26 -4.42 113.62 123.35 1s6o n SER 53 Ca -0.17 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1s6o n SER 53 Cb 0.53 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.22 0.00 -0.10 0.44 0.31 -1.26 -3.92 118.33 114.02 1s6o n VAL 54 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1s6o n VAL 54 Cb 0.28 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.17 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 0.75 -0.93 5.55 4.57 -1.98 -3.29 114.58 119.25 1s6o h GLU 55 Ca 0.00 -0.40 0.08 0.00 -1.18 0.00 0.00 59.36 57.87 1s6o h GLU 55 Cb 0.00 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.49 1s6o h GLU 55 CO 0.00 1.02 -0.55 0.39 -1.18 0.00 0.00 179.01 178.69 1s6o n GLU 56 N -4.22 -0.41 -0.33 1.92 1.02 -1.25 -0.65 120.64 116.71 1s6o n GLU 56 Ca -0.03 1.42 -0.05 0.00 -0.02 0.00 0.00 57.16 58.47 1s6o n GLU 56 Cb 0.49 -2.09 -0.02 0.00 -0.02 0.00 0.00 31.44 29.79 1s6o n GLU 56 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1s6o n MET 57 N -5.14 -0.28 -0.07 3.49 1.56 -1.24 -0.28 117.12 115.16 1s6o n MET 57 Ca 0.02 1.26 -0.15 0.00 -0.27 0.00 0.00 57.70 58.56 1s6o n MET 57 Cb 0.24 -1.87 -0.05 0.00 2.15 0.00 0.00 33.22 33.69 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 0.80 0.00 2.12 3.11 -1.20 -3.10 116.57 118.30 1s6o h LYS 58 Ca 0.21 -0.53 -0.00 0.00 -2.81 0.00 0.00 60.65 57.52 1s6o h LYS 58 Cb 0.42 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1s6o h LYS 58 CO -0.80 1.15 -0.01 0.87 -2.81 0.00 0.00 179.45 177.85 1s6o h LYS 59 N 0.56 0.00 -0.64 1.90 1.79 0.16 -0.20 116.57 120.13 1s6o h LYS 59 Ca 0.01 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1s6o h LYS 59 Cb 1.14 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.76 1s6o h LYS 59 CO 0.12 0.01 0.25 1.96 -1.08 0.00 0.00 179.45 180.71 1s6o h GLN 60 N 0.00 0.95 -0.38 3.15 1.08 -0.56 -0.28 115.11 119.07 1s6o h GLN 60 Ca -0.00 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.02 1s6o h GLN 60 Cb 0.03 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 1s6o h GLN 60 CO 0.00 0.78 0.12 0.82 -0.95 0.00 0.00 178.83 179.60 1s6o h ILE 61 N 0.93 1.21 -0.51 2.54 5.03 -1.13 -2.38 117.51 123.20 1s6o h ILE 61 Ca 0.22 -0.68 0.10 0.00 -0.12 0.00 0.00 64.86 64.38 1s6o h ILE 61 Cb 0.19 0.94 -0.10 0.00 -3.03 0.00 0.00 36.82 34.82 1s6o h ILE 61 CO -0.02 0.24 -0.13 -0.33 -0.68 0.00 0.00 178.15 177.23 1s6o h GLU 62 N 0.46 0.00 -0.00 2.37 5.08 -0.92 -1.04 114.58 120.53 1s6o h GLU 62 Ca 0.12 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1s6o h GLU 62 Cb 0.24 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1s6o h GLU 62 CO -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 179.01 178.05 1s6o h ALA 63 N 1.51 1.07 0.00 3.43 0.00 -0.69 0.96 119.26 125.55 1s6o h ALA 63 Ca 0.24 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1s6o h ALA 63 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s6o h ALA 63 CO -0.52 -0.05 -0.15 0.52 0.00 0.00 0.00 179.25 179.05 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.68 -3.46 114.93 113.64 1s6o h MET 64 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6o h MET 64 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1s6o h MET 64 CO -0.00 0.15 0.00 0.41 1.06 0.00 0.00 176.91 178.53 1s6o n GLY 65 N -0.68 1.07 3.66 8.32 0.00 0.33 -5.10 105.19 112.79 1s6o n GLY 65 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.70 3.39 0.20 1.61 0.40 -1.23 -5.02 117.98 116.62 1s6o s PHE 66 Ca 0.00 1.11 -0.31 0.00 -0.60 0.00 0.00 56.93 57.12 1s6o s PHE 66 Cb 0.00 -2.94 -0.11 0.00 0.51 0.00 0.00 43.02 40.49 1s6o s PHE 66 CO 0.00 -0.24 1.62 -1.25 0.70 0.00 0.00 175.22 176.05 1s6o s PRO 67 N 2.16 4.18 0.31 0.24 0.04 -1.26 -3.87 135.00 136.80 1s6o s PRO 67 Ca 0.34 2.47 0.01 0.00 0.04 0.00 0.00 61.00 63.86 1s6o s PRO 67 Cb -0.16 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1s6o s PRO 67 CO 0.11 -0.65 0.05 0.00 0.04 0.00 0.00 177.00 176.55 1s6o n ALA 68 N 3.73 0.35 -3.26 8.56 0.00 -1.26 -4.14 120.51 124.48 1s6o n ALA 68 Ca 0.14 -1.49 -0.14 0.00 0.00 0.00 0.00 53.44 51.95 1s6o n ALA 68 Cb 0.37 0.91 -0.08 0.00 0.00 0.00 0.00 19.45 20.65 1s6o n ALA 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s6o s PHE 69 N -2.43 -0.27 -0.08 0.00 0.08 -0.13 -4.92 117.98 110.23 1s6o s PHE 69 Ca 0.07 0.39 0.05 0.00 0.12 0.00 0.00 56.93 57.56 1s6o s PHE 69 Cb 0.00 0.17 -0.01 0.00 -0.57 0.00 0.00 43.02 42.62 1s6o s PHE 69 CO 0.05 -0.46 -0.23 0.54 -0.10 0.00 0.00 175.22 175.01 1s6o s VAL 70 N -1.55 2.17 0.00 -0.44 0.11 -1.26 -0.38 120.40 119.05 1s6o s VAL 70 Ca -0.11 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.93 1s6o s VAL 70 Cb -0.03 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.00 1s6o s VAL 70 CO 0.04 0.56 0.03 0.29 -3.33 0.00 0.00 175.10 172.69 1s6o n LYS 71 N 3.19 0.00 -3.61 1.54 5.02 -1.20 -4.95 118.16 118.15 1s6o n LYS 71 Ca -0.18 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.95 1s6o n LYS 71 Cb 0.52 -0.39 -0.07 0.00 -0.02 0.00 0.00 35.03 35.07 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 -0.06 0.91 -0.27 1.97 2.20 -1.26 -5.13 119.74 118.10 1s6o s LYS 72 Ca 0.00 0.16 -0.13 0.00 -0.36 0.00 0.00 55.97 55.65 1s6o s LYS 72 Cb 0.00 0.42 0.10 0.00 -1.51 0.00 0.00 37.83 36.84 1s6o s LYS 72 CO 0.00 -0.26 0.63 -1.50 -0.36 0.00 0.00 175.35 173.85 1s6o s ILE 73 N -1.11 -0.39 0.15 5.43 1.10 -1.26 -4.51 121.20 120.60 1s6o s ILE 73 Ca -0.11 0.02 -0.12 0.00 -0.51 0.00 0.00 60.65 59.93 1s6o s ILE 73 Cb -0.02 -0.93 0.01 0.00 0.15 0.00 0.00 42.46 41.67 1s6o s ILE 73 CO 0.07 0.01 0.34 -1.61 -2.11 0.00 0.00 174.94 171.64 1s6o s GLU 74 N 2.12 1.12 0.18 3.50 2.02 -1.26 -5.07 118.70 121.31 1s6o s GLU 74 Ca -0.08 -0.98 -0.24 0.00 0.02 0.00 0.00 54.97 53.69 1s6o s GLU 74 Cb -0.08 0.42 0.05 0.00 0.10 0.00 0.00 34.13 34.62 1s6o s GLU 74 CO -0.18 -0.42 0.86 0.20 0.02 0.00 0.00 175.26 175.74 1s6o s GLY 75 N -2.89 -0.23 0.00 -1.39 0.00 -1.26 -4.87 107.32 96.67 1s6o s GLY 75 Ca 0.10 0.09 0.17 0.00 0.00 0.00 0.00 44.72 45.08 1s6o s GLY 75 CO -0.05 0.01 1.39 -2.13 0.00 0.00 0.00 173.10 172.32