#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 1.08 -0.04 1.61 1.03 -1.26 -4.81 118.70 116.31 1s6o s GLU 2 Ca 0.00 -0.67 0.06 0.00 0.03 0.00 0.00 54.97 54.39 1s6o s GLU 2 Cb 0.00 0.48 -0.01 0.00 -0.80 0.00 0.00 34.13 33.80 1s6o s GLU 2 CO 0.00 -0.42 -0.22 0.08 -1.33 0.00 0.00 175.26 173.37 1s6o s VAL 3 N -3.72 1.76 0.28 1.83 1.01 0.37 -4.85 120.40 117.08 1s6o s VAL 3 Ca 0.02 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1s6o s VAL 3 Cb 0.01 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.82 1s6o s VAL 3 CO -0.12 0.50 1.01 -0.69 0.00 0.00 0.00 175.10 175.80 1s6o s VAL 4 N -0.20 3.84 -0.08 2.92 1.01 -1.26 -0.81 120.40 125.82 1s6o s VAL 4 Ca -0.00 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.70 1s6o s VAL 4 Cb -0.11 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1s6o s VAL 4 CO 0.02 0.35 0.17 -0.22 0.00 0.00 0.00 175.10 175.41 1s6o s LEU 5 N -1.56 0.50 -0.03 3.92 1.98 0.19 -4.76 118.68 118.92 1s6o s LEU 5 Ca 0.45 0.35 -0.20 0.00 -2.89 0.00 0.00 54.13 51.84 1s6o s LEU 5 Cb -0.27 0.41 -0.05 0.00 0.66 0.00 0.00 46.19 46.94 1s6o s LEU 5 CO 0.34 -0.17 0.56 -0.54 -1.89 0.00 0.00 176.35 174.65 1s6o s LYS 6 N 1.43 4.29 0.00 1.98 -0.14 -1.26 -0.37 119.74 125.67 1s6o s LYS 6 Ca -0.07 0.66 0.03 0.00 -1.36 0.00 0.00 55.97 55.22 1s6o s LYS 6 Cb -0.12 -3.36 -0.01 0.00 -1.68 0.00 0.00 37.83 32.67 1s6o s LYS 6 CO -0.06 0.34 -0.08 0.00 -0.76 0.00 0.00 175.35 174.78 1s6o s MET 7 N -0.06 0.65 0.11 1.68 0.23 0.17 -2.87 119.30 119.22 1s6o s MET 7 Ca 0.30 -0.38 -0.28 0.00 -1.03 0.00 0.00 55.69 54.31 1s6o s MET 7 Cb -0.17 -0.61 -0.06 0.00 -1.53 0.00 0.00 34.83 32.46 1s6o s MET 7 CO 0.15 0.16 0.86 0.15 -2.03 0.00 0.00 175.02 174.32 1s6o s LYS 8 N -0.43 4.63 -0.70 3.16 -0.14 0.21 -0.61 119.74 125.87 1s6o s LYS 8 Ca 0.01 1.28 0.02 0.00 -1.36 0.00 0.00 55.97 55.92 1s6o s LYS 8 Cb -0.04 -3.34 0.17 0.00 -1.68 0.00 0.00 37.83 32.94 1s6o s LYS 8 CO -0.00 0.33 0.50 0.08 -0.76 0.00 0.00 175.35 175.51 1s6o s VAL 9 N -0.35 3.35 0.95 3.17 1.01 -0.73 -0.75 120.40 127.06 1s6o s VAL 9 Ca 0.42 -3.73 -0.14 0.00 0.00 0.00 0.00 61.98 58.53 1s6o s VAL 9 Cb -0.23 -3.18 0.17 0.00 0.00 0.00 0.00 36.38 33.14 1s6o s VAL 9 CO 0.27 -0.96 1.20 -1.61 0.00 0.00 0.00 175.10 174.00 1s6o s GLU 10 N -0.92 0.76 0.00 2.72 0.41 0.20 -4.28 118.70 117.59 1s6o s GLU 10 Ca 0.22 -0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.77 1s6o s GLU 10 Cb -0.13 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.40 1s6o s GLU 10 CO -0.09 -2.39 0.00 0.41 -0.49 0.00 0.00 175.26 172.69 1s6o n GLY 11 N -2.70 1.41 3.34 -1.39 0.00 -1.26 -4.12 105.19 100.46 1s6o n GLY 11 Ca 0.11 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 1.25 -0.00 1.61 2.81 -1.26 -4.50 117.12 117.02 1s6o n MET 12 Ca 0.00 -1.93 -0.21 0.00 -1.81 0.00 0.00 57.70 53.75 1s6o n MET 12 Cb 0.00 -3.19 -0.14 0.00 -0.71 0.00 0.00 33.22 29.18 1s6o n MET 12 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1s6o h THR 13 N 5.23 1.10 -4.12 2.03 1.35 -1.86 -3.47 112.91 113.17 1s6o h THR 13 Ca 0.31 -2.39 -0.48 0.00 -0.55 0.00 0.00 66.41 63.30 1s6o h THR 13 Cb 0.78 2.74 0.05 0.00 -1.73 0.00 0.00 68.15 69.99 1s6o h THR 13 CO 1.67 0.67 0.39 0.00 -0.25 0.00 0.00 175.52 178.00 1s6o s HIS 15 N -2.15 0.46 -0.43 0.00 0.09 -1.26 -4.62 115.29 107.37 1s6o s HIS 15 Ca 0.66 0.51 -0.01 0.00 -0.00 0.00 0.00 55.06 56.22 1s6o s HIS 15 Cb -0.17 -3.43 0.00 0.00 -0.00 0.00 0.00 32.58 28.99 1s6o s HIS 15 CO 0.27 -3.92 0.37 0.45 -0.00 0.00 0.00 174.74 171.91 1s6o n SER 16 N -4.79 -2.35 -2.79 1.40 2.88 -1.26 -4.99 113.62 101.72 1s6o n SER 16 Ca 0.13 -0.21 -0.10 0.00 -1.33 0.00 0.00 58.87 57.36 1s6o n SER 16 Cb 0.59 -2.12 0.05 0.00 -0.75 0.00 0.00 64.21 61.99 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 1.18 0.00 -0.36 0.00 -2.24 -1.26 -4.81 114.28 106.79 1s6o n THR 18 Ca 0.09 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.95 1s6o n THR 18 Cb 0.65 -0.30 0.24 0.00 -2.10 0.00 0.00 70.33 68.82 1s6o n THR 18 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1s6o h SER 19 N 0.00 0.92 -0.26 3.42 0.87 -1.95 0.42 113.55 116.97 1s6o h SER 19 Ca 0.00 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1s6o h SER 19 Cb 0.00 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 61.74 1s6o h SER 19 CO 0.00 0.49 -0.37 0.74 -0.53 0.00 0.00 176.83 177.17 1s6o h THR 20 N 0.99 0.20 0.01 2.23 2.02 -1.97 0.22 112.91 116.61 1s6o h THR 20 Ca 0.49 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.68 1s6o h THR 20 Cb 0.49 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1s6o h THR 20 CO -0.26 0.00 -0.05 0.40 0.37 0.00 0.00 175.52 175.98 1s6o h ILE 21 N -0.36 0.88 0.09 3.11 5.03 -0.64 -0.17 117.51 125.44 1s6o h ILE 21 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 1s6o h ILE 21 Cb 0.57 0.88 -0.02 0.00 -3.03 0.00 0.00 36.82 35.22 1s6o h ILE 21 CO -0.46 0.00 -0.21 -0.33 -0.68 0.00 0.00 178.15 176.47 1s6o h GLU 22 N -0.09 -0.31 -0.49 2.37 5.08 -0.22 0.18 114.58 121.10 1s6o h GLU 22 Ca 0.02 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1s6o h GLU 22 Cb 0.11 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.33 1s6o h GLU 22 CO -0.05 -0.21 -0.36 0.78 -1.00 0.00 0.00 179.01 178.18 1s6o h GLY 23 N -0.32 -0.27 0.87 -3.84 0.00 -0.60 0.33 103.07 99.24 1s6o h GLY 23 Ca -0.01 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1s6o h GLY 23 CO -0.09 -0.20 -0.27 1.70 0.00 0.00 0.00 176.54 177.68 1s6o h LYS 24 N -0.23 -0.65 -0.15 4.80 3.64 -0.87 -2.54 116.57 120.58 1s6o h LYS 24 Ca 0.19 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1s6o h LYS 24 Cb 0.55 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1s6o h LYS 24 CO -0.61 -0.43 0.10 0.82 -2.27 0.00 0.00 179.45 177.06 1s6o h ILE 25 N -0.67 1.01 0.00 2.00 1.08 -0.54 -0.53 117.51 119.85 1s6o h ILE 25 Ca -0.05 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1s6o h ILE 25 Cb 0.55 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1s6o h ILE 25 CO 0.05 0.03 0.13 1.23 -0.69 0.00 0.00 178.15 178.89 1s6o h GLY 26 N 0.15 0.00 1.09 5.37 0.00 0.10 0.11 103.07 109.89 1s6o h GLY 26 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1s6o h GLY 26 CO -0.01 0.00 -0.63 0.28 0.00 0.00 0.00 176.54 176.18 1s6o n LYS 27 N -2.49 0.23 -2.39 4.80 5.02 -0.21 -4.94 118.16 118.17 1s6o n LYS 27 Ca -0.02 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 1s6o n LYS 27 Cb 0.17 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 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 -3.92 4.42 -0.32 -0.35 2.01 0.39 -4.92 118.68 115.98 1s6o s LEU 28 Ca 0.07 2.15 -0.31 0.00 0.01 0.00 0.00 54.13 56.05 1s6o s LEU 28 Cb 0.14 -3.60 -0.08 0.00 0.01 0.00 0.00 46.19 42.67 1s6o s LEU 28 CO 0.72 -0.41 2.24 0.00 1.01 0.00 0.00 176.35 179.92 1s6o n GLN 29 N 3.07 1.44 0.00 1.70 10.64 -1.26 -1.49 117.38 131.47 1s6o n GLN 29 Ca 0.06 0.36 0.00 0.00 -1.83 0.00 0.00 57.00 55.59 1s6o n GLN 29 Cb 0.45 -2.88 0.00 0.00 -0.86 0.00 0.00 30.24 26.95 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 6.15 1.22 3.72 2.61 0.00 -1.26 -4.12 105.19 113.51 1s6o n GLY 30 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.45 4.69 -0.25 1.61 1.01 -0.56 -3.55 120.40 121.89 1s6o s VAL 31 Ca 0.00 2.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.88 1s6o s VAL 31 Cb 0.00 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.94 1s6o s VAL 31 CO 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 175.10 175.11 1s6o n GLN 32 N 3.54 0.61 -3.84 2.72 1.13 0.33 -4.85 117.38 117.02 1s6o n GLN 32 Ca 0.05 0.29 -0.09 0.00 -1.94 0.00 0.00 57.00 55.31 1s6o n GLN 32 Cb 0.50 -1.55 -0.04 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 -2.49 1.48 -0.14 -1.09 3.52 -1.13 -5.00 118.95 114.10 1s6o s ARG 33 Ca -0.35 -1.00 -0.18 0.00 -0.13 0.00 0.00 55.73 54.07 1s6o s ARG 33 Cb 0.12 0.51 0.04 0.00 -1.56 0.00 0.00 34.95 34.07 1s6o s ARG 33 CO 0.55 -0.63 0.47 -1.50 -0.81 0.00 0.00 175.30 173.38 1s6o s ILE 34 N -3.92 0.01 -0.08 4.11 2.07 -1.26 -0.96 121.20 121.17 1s6o s ILE 34 Ca 0.13 -0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1s6o s ILE 34 Cb -0.01 -0.70 0.04 0.00 0.13 0.00 0.00 42.46 41.92 1s6o s ILE 34 CO 0.02 -0.05 0.06 -0.54 -1.91 0.00 0.00 174.94 172.52 1s6o s LYS 35 N -0.19 0.02 -0.36 3.50 -0.14 0.38 -4.99 119.74 117.96 1s6o s LYS 35 Ca -0.04 0.23 -0.03 0.00 -1.36 0.00 0.00 55.97 54.77 1s6o s LYS 35 Cb -0.03 -0.91 0.07 0.00 -1.68 0.00 0.00 37.83 35.28 1s6o s LYS 35 CO 0.02 -0.42 0.11 0.08 -0.76 0.00 0.00 175.35 174.39 1s6o s VAL 36 N 2.14 3.30 -0.91 3.17 1.01 -1.26 -0.26 120.40 127.59 1s6o s VAL 36 Ca 0.04 -1.62 -0.14 0.00 0.00 0.00 0.00 61.98 60.26 1s6o s VAL 36 Cb -0.13 -3.05 0.21 0.00 0.00 0.00 0.00 36.38 33.41 1s6o s VAL 36 CO -0.05 -0.37 0.93 -0.55 0.00 0.00 0.00 175.10 175.05 1s6o s SER 37 N 1.55 6.83 0.25 3.32 0.15 -0.60 -4.90 113.70 120.30 1s6o s SER 37 Ca 0.01 -2.70 -0.03 0.00 0.70 0.00 0.00 55.95 53.93 1s6o s SER 37 Cb -0.21 -2.26 0.48 0.00 -1.71 0.00 0.00 66.02 62.32 1s6o s SER 37 CO -0.02 -0.64 1.74 0.25 1.20 0.00 0.00 173.24 175.77 1s6o h LEU 38 N 8.28 0.34 -0.92 3.45 7.12 -1.94 0.25 115.31 131.89 1s6o h LEU 38 Ca 0.14 0.11 0.14 0.00 0.13 0.00 0.00 57.88 58.40 1s6o h LEU 38 Cb 1.01 0.07 -0.15 0.00 -0.53 0.00 0.00 40.66 41.06 1s6o h LEU 38 CO 0.89 0.13 -0.36 0.47 -0.13 0.00 0.00 178.44 179.44 1s6o n ASP 39 N -4.97 -0.60 0.07 1.25 9.92 -1.26 -0.29 116.55 120.66 1s6o n ASP 39 Ca 0.15 1.60 0.13 0.00 -0.53 0.00 0.00 54.79 56.14 1s6o n ASP 39 Cb 0.42 -0.36 0.41 0.00 -0.64 0.00 0.00 41.12 40.94 1s6o n ASP 39 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1s6o n ASN 40 N -5.35 0.59 0.00 -2.24 5.15 0.72 -4.90 115.26 109.24 1s6o n ASN 40 Ca 0.09 0.43 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 1s6o n ASN 40 Cb 0.37 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 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 -2.02 -1.29 -4.25 1.20 6.02 0.60 -4.94 117.38 112.71 1s6o n GLN 41 Ca 0.05 0.32 -0.17 0.00 -0.01 0.00 0.00 57.00 57.20 1s6o n GLN 41 Cb 0.41 -4.35 -0.11 0.00 1.02 0.00 0.00 30.24 27.20 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 -1.34 1.04 0.07 -1.09 2.12 -1.19 -1.77 118.70 116.55 1s6o s GLU 42 Ca 0.00 -1.29 0.02 0.00 0.36 0.00 0.00 54.97 54.05 1s6o s GLU 42 Cb 0.00 -0.86 -0.03 0.00 0.26 0.00 0.00 34.13 33.50 1s6o s GLU 42 CO 0.00 0.15 -0.07 0.00 -0.54 0.00 0.00 175.26 174.81 1s6o s ALA 43 N -2.39 0.77 -0.23 6.30 0.00 0.22 -1.56 121.76 124.88 1s6o s ALA 43 Ca 0.11 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1s6o s ALA 43 Cb -0.03 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.26 1s6o s ALA 43 CO 0.03 -0.16 -0.10 0.99 0.00 0.00 0.00 175.76 176.52 1s6o s THR 44 N -2.73 1.85 0.39 0.00 2.01 0.64 -0.66 115.64 117.14 1s6o s THR 44 Ca 0.02 -1.29 0.08 0.00 0.31 0.00 0.00 61.69 60.81 1s6o s THR 44 Cb -0.01 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 1s6o s THR 44 CO -0.03 0.06 0.47 -0.63 -0.69 0.00 0.00 174.62 173.80 1s6o s ILE 45 N 1.28 3.17 -0.06 1.82 1.01 0.50 -0.47 121.20 128.45 1s6o s ILE 45 Ca -0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.44 1s6o s ILE 45 Cb -0.18 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.23 1s6o s ILE 45 CO -0.07 -0.05 0.10 0.54 0.00 0.00 0.00 174.94 175.46 1s6o s VAL 46 N -2.34 -0.17 0.39 2.92 0.11 -0.14 -0.64 120.40 120.53 1s6o s VAL 46 Ca 0.50 0.39 -0.15 0.00 -2.93 0.00 0.00 61.98 59.78 1s6o s VAL 46 Cb -0.08 -0.21 0.06 0.00 -1.53 0.00 0.00 36.38 34.62 1s6o s VAL 46 CO 0.31 0.16 0.80 -0.72 -3.33 0.00 0.00 175.10 172.32 1s6o s TYR 47 N 2.19 0.15 0.03 1.54 -0.85 0.01 -0.51 117.35 119.90 1s6o s TYR 47 Ca 0.04 -0.84 0.02 0.00 -0.52 0.00 0.00 57.07 55.77 1s6o s TYR 47 Cb -0.12 0.85 -0.02 0.00 0.38 0.00 0.00 41.96 43.05 1s6o s TYR 47 CO -0.04 -1.59 -0.08 -0.65 -1.52 0.00 0.00 175.55 171.67 1s6o s GLN 48 N -2.16 0.53 -0.91 -3.49 -1.52 -1.23 -0.47 119.66 110.40 1s6o s GLN 48 Ca 0.16 -0.60 -0.23 0.00 -1.95 0.00 0.00 55.36 52.74 1s6o s GLN 48 Cb -0.05 -0.38 -0.14 0.00 -0.22 0.00 0.00 33.01 32.22 1s6o s GLN 48 CO 0.12 0.08 1.92 -0.35 -0.25 0.00 0.00 175.29 176.80 1s6o n PRO 49 N 1.90 1.47 0.11 2.91 -0.04 -1.26 -3.77 135.00 136.32 1s6o n PRO 49 Ca -0.20 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1s6o n PRO 49 Cb 0.56 -3.25 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 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 10.54 -2.04 0.14 0.54 8.25 -1.26 -4.90 115.22 126.49 1s6o n HIS 50 Ca 0.47 0.38 0.09 0.00 -0.26 0.00 0.00 57.72 58.41 1s6o n HIS 50 Cb 0.43 0.70 0.05 0.00 1.12 0.00 0.00 29.99 32.29 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 -8.53 2.41 3.38 -1.85 -3.46 115.31 107.26 1s6o h LEU 51 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 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 0.13 -0.84 -0.51 0.09 0.00 0.00 178.44 177.31 1s6o s ILE 52 N -3.21 1.62 -0.11 1.22 1.10 -1.25 -4.76 121.20 115.80 1s6o s ILE 52 Ca 0.02 -1.17 0.00 0.00 -0.51 0.00 0.00 60.65 58.99 1s6o s ILE 52 Cb 0.08 -1.41 0.00 0.00 0.15 0.00 0.00 42.46 41.27 1s6o s ILE 52 CO 0.75 0.20 0.76 -1.20 -2.11 0.00 0.00 174.94 173.34 1s6o n SER 53 N 1.87 2.24 0.00 4.50 7.64 -1.26 -4.31 113.62 124.30 1s6o n SER 53 Ca -0.17 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1s6o n SER 53 Cb 0.53 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.54 0.00 0.02 0.44 3.14 -1.26 -3.92 118.33 117.29 1s6o n VAL 54 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 1s6o n VAL 54 Cb 0.38 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.02 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 0.25 -0.79 1.45 4.57 -2.01 -3.37 114.58 114.67 1s6o h GLU 55 Ca 0.00 -0.42 0.15 0.00 -1.18 0.00 0.00 59.36 57.91 1s6o h GLU 55 Cb 0.00 0.16 -0.15 0.00 -0.16 0.00 0.00 28.75 28.60 1s6o h GLU 55 CO 0.00 1.20 -0.28 0.93 -1.18 0.00 0.00 179.01 179.68 1s6o h GLU 56 N -0.42 -0.04 -0.32 1.92 5.08 -1.93 0.16 114.58 119.03 1s6o h GLU 56 Ca -0.20 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1s6o h GLU 56 Cb 1.63 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.85 1s6o h GLU 56 CO 0.09 -0.03 -0.19 -0.12 -1.00 0.00 0.00 179.01 177.76 1s6o n MET 57 N -5.49 -0.14 -0.01 2.33 1.56 -1.26 -0.32 117.12 113.78 1s6o n MET 57 Ca 0.09 0.63 -0.16 0.00 -0.27 0.00 0.00 57.70 58.00 1s6o n MET 57 Cb 0.40 -0.94 -0.11 0.00 2.15 0.00 0.00 33.22 34.72 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 0.31 0.00 2.12 1.63 -1.01 -3.30 116.57 116.31 1s6o h LYS 58 Ca 0.05 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1s6o h LYS 58 Cb 0.13 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1s6o h LYS 58 CO -0.30 1.00 0.03 0.87 -3.45 0.00 0.00 179.45 177.60 1s6o h LYS 59 N -0.26 0.00 -0.51 1.90 6.56 0.32 0.36 116.57 124.93 1s6o h LYS 59 Ca -0.05 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 1s6o h LYS 59 Cb 1.14 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.78 1s6o h LYS 59 CO 0.08 0.00 0.23 -0.56 -2.06 0.00 0.00 179.45 177.14 1s6o h GLN 60 N 0.00 0.75 -0.09 3.15 3.07 -0.75 0.97 115.11 122.21 1s6o h GLN 60 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 1s6o h GLN 60 Cb 0.06 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 27.49 1s6o h GLN 60 CO 0.00 0.65 0.03 0.82 0.09 0.00 0.00 178.83 180.42 1s6o h ILE 61 N 0.69 1.17 -0.46 1.86 5.03 -0.46 -1.83 117.51 123.51 1s6o h ILE 61 Ca 0.17 -0.52 0.07 0.00 -0.12 0.00 0.00 64.86 64.47 1s6o h ILE 61 Cb 0.16 1.35 -0.06 0.00 -3.03 0.00 0.00 36.82 35.24 1s6o h ILE 61 CO -0.02 0.15 0.10 -0.33 -0.68 0.00 0.00 178.15 177.37 1s6o h GLU 62 N -0.04 0.23 0.00 2.37 5.08 -1.24 -0.15 114.58 120.83 1s6o h GLU 62 Ca 0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1s6o h GLU 62 Cb 0.21 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1s6o h GLU 62 CO -0.00 0.15 -0.01 0.00 -1.00 0.00 0.00 179.01 178.15 1s6o h ALA 63 N 1.35 1.19 0.00 3.43 0.00 -0.55 0.14 119.26 124.82 1s6o h ALA 63 Ca 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1s6o h ALA 63 Cb 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1s6o h ALA 63 CO -0.29 0.02 -0.14 0.52 0.00 0.00 0.00 179.25 179.35 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.15 -3.47 114.93 114.17 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 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1s6o h MET 64 CO 0.00 0.14 0.00 0.41 1.06 0.00 0.00 176.91 178.53 1s6o n GLY 65 N -1.00 1.89 3.69 8.32 0.00 0.47 -5.11 105.19 113.46 1s6o n GLY 65 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.32 3.13 -0.20 1.61 0.08 -1.24 -4.94 117.98 116.11 1s6o s PHE 66 Ca 0.00 1.10 -0.29 0.00 0.12 0.00 0.00 56.93 57.86 1s6o s PHE 66 Cb 0.00 -3.50 -0.04 0.00 -0.57 0.00 0.00 43.02 38.91 1s6o s PHE 66 CO 0.00 -1.67 1.86 -1.25 -0.10 0.00 0.00 175.22 174.05 1s6o s PRO 67 N 2.07 3.61 0.44 0.24 0.04 -1.26 -3.98 135.00 136.17 1s6o s PRO 67 Ca 0.59 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.54 1s6o s PRO 67 Cb -0.28 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.05 1s6o s PRO 67 CO 0.25 -1.53 0.03 0.00 0.04 0.00 0.00 177.00 175.78 1s6o s ALA 68 N 6.14 3.45 -0.24 8.56 0.00 -1.26 -0.63 121.76 137.77 1s6o s ALA 68 Ca 0.83 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1s6o s ALA 68 Cb -0.29 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.15 1s6o s ALA 68 CO 0.33 -0.13 0.58 0.12 0.00 0.00 0.00 175.76 176.67 1s6o s PHE 69 N -2.92 -0.96 0.09 0.00 2.19 0.07 -4.89 117.98 111.56 1s6o s PHE 69 Ca 0.21 1.87 -0.24 0.00 0.33 0.00 0.00 56.93 59.11 1s6o s PHE 69 Cb 0.05 0.53 -0.07 0.00 -1.31 0.00 0.00 43.02 42.23 1s6o s PHE 69 CO 0.11 -0.49 0.72 0.54 1.83 0.00 0.00 175.22 177.92 1s6o s VAL 70 N 1.85 4.63 0.00 3.12 0.11 -1.26 -0.62 120.40 128.23 1s6o s VAL 70 Ca -0.08 1.54 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 1s6o s VAL 70 Cb -0.08 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.71 1s6o s VAL 70 CO -0.17 0.46 0.00 0.29 -3.33 0.00 0.00 175.10 172.35 1s6o n LYS 71 N 2.19 0.00 -3.73 1.54 5.02 -1.14 -4.97 118.16 117.08 1s6o n LYS 71 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1s6o n LYS 71 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.41 1s6o n LYS 71 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1s6o s LYS 72 N 0.23 0.50 -0.03 1.97 1.02 -1.26 -5.11 119.74 117.07 1s6o s LYS 72 Ca 0.00 0.57 0.01 0.00 0.02 0.00 0.00 55.97 56.57 1s6o s LYS 72 Cb 0.00 0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1s6o s LYS 72 CO 0.00 -0.06 -0.00 -1.50 -0.92 0.00 0.00 175.35 172.86 1s6o s ILE 73 N 0.18 0.19 0.12 2.17 -1.16 -1.26 -4.72 121.20 116.73 1s6o s ILE 73 Ca -0.00 0.05 -0.22 0.00 -0.51 0.00 0.00 60.65 59.97 1s6o s ILE 73 Cb -0.03 -0.27 0.06 0.00 0.61 0.00 0.00 42.46 42.83 1s6o s ILE 73 CO 0.01 0.14 0.56 -1.83 -2.81 0.00 0.00 174.94 171.00 1s6o s GLU 74 N 0.87 1.19 0.05 3.50 -1.05 -1.26 -5.05 118.70 116.94 1s6o s GLU 74 Ca -0.09 -0.43 -0.10 0.00 -0.15 0.00 0.00 54.97 54.20 1s6o s GLU 74 Cb -0.12 0.54 0.03 0.00 -0.44 0.00 0.00 34.13 34.15 1s6o s GLU 74 CO -0.01 -0.49 0.48 0.41 0.95 0.00 0.00 175.26 176.59 1s6o n GLY 75 N -0.14 0.80 0.00 -3.83 0.00 -1.26 -4.91 105.19 95.86 1s6o n GLY 75 Ca -0.17 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 44.98 1s6o n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36