#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 2.60 -2.82 1.61 4.71 -1.26 -5.06 120.64 120.42 1s6o n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1s6o n GLU 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 1s6o n GLU 2 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1s6o s VAL 3 N 1.02 4.83 -0.33 2.62 1.01 0.10 -4.74 120.40 124.92 1s6o s VAL 3 Ca 0.00 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 1s6o s VAL 3 Cb 0.00 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1s6o s VAL 3 CO 0.00 -0.01 1.12 -0.69 0.00 0.00 0.00 175.10 175.52 1s6o s VAL 4 N 2.29 4.41 0.37 2.92 1.01 -1.26 -1.42 120.40 128.72 1s6o s VAL 4 Ca 0.41 1.61 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 1s6o s VAL 4 Cb -0.17 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1s6o s VAL 4 CO 0.12 -0.53 0.68 -0.22 0.00 0.00 0.00 175.10 175.15 1s6o s LEU 5 N 3.85 3.90 -0.11 3.92 0.20 0.35 -4.86 118.68 125.93 1s6o s LEU 5 Ca 0.48 0.90 -0.02 0.00 0.69 0.00 0.00 54.13 56.17 1s6o s LEU 5 Cb -0.13 -3.76 0.04 0.00 -0.43 0.00 0.00 46.19 41.91 1s6o s LEU 5 CO 0.18 -0.34 0.02 -0.75 -0.29 0.00 0.00 176.35 175.17 1s6o s LYS 6 N -3.90 0.60 0.11 1.98 2.36 -1.26 -2.65 119.74 116.97 1s6o s LYS 6 Ca 0.47 -0.06 0.06 0.00 -2.55 0.00 0.00 55.97 53.90 1s6o s LYS 6 Cb -0.10 -1.35 -0.04 0.00 -1.05 0.00 0.00 37.83 35.29 1s6o s LYS 6 CO 0.33 -0.42 -0.15 0.00 1.55 0.00 0.00 175.35 176.66 1s6o s MET 7 N 1.95 1.00 -0.19 4.03 0.23 -0.07 -2.98 119.30 123.27 1s6o s MET 7 Ca 0.03 -1.18 -0.08 0.00 -1.03 0.00 0.00 55.69 53.43 1s6o s MET 7 Cb -0.14 -0.96 -0.04 0.00 -1.53 0.00 0.00 34.83 32.16 1s6o s MET 7 CO -0.06 0.20 0.08 0.15 -2.03 0.00 0.00 175.02 173.35 1s6o s LYS 8 N -2.40 4.00 -0.89 3.16 -0.14 -0.28 -0.90 119.74 122.29 1s6o s LYS 8 Ca 0.07 -0.33 -0.01 0.00 -1.36 0.00 0.00 55.97 54.34 1s6o s LYS 8 Cb -0.07 -3.27 0.24 0.00 -1.68 0.00 0.00 37.83 33.06 1s6o s LYS 8 CO 0.03 0.24 0.92 0.28 -0.76 0.00 0.00 175.35 176.06 1s6o n VAL 9 N 3.64 3.38 -1.69 3.17 0.31 -1.26 -0.81 118.33 125.07 1s6o n VAL 9 Ca -0.16 -5.30 -0.43 0.00 -0.01 0.00 0.00 64.34 58.45 1s6o n VAL 9 Cb 0.52 -2.28 -0.03 0.00 -0.91 0.00 0.00 33.84 31.14 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 -1.84 3.63 0.00 5.55 0.41 -1.25 -3.27 118.70 121.93 1s6o s GLU 10 Ca 0.31 2.23 0.00 0.00 -0.41 0.00 0.00 54.97 57.09 1s6o s GLU 10 Cb -0.01 -4.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.09 1s6o s GLU 10 CO -0.06 -1.53 0.00 0.41 -0.49 0.00 0.00 175.26 173.58 1s6o n GLY 11 N 5.13 2.38 3.55 -1.39 0.00 -1.26 -4.44 105.19 109.15 1s6o n GLY 11 Ca 0.24 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 3.45 -0.02 1.61 -1.94 -1.20 -4.73 119.30 116.46 1s6o s MET 12 Ca 0.00 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.15 1s6o s MET 12 Cb 0.00 -4.92 0.04 0.00 2.01 0.00 0.00 34.83 31.96 1s6o s MET 12 CO 0.00 -2.16 0.92 -2.37 -0.01 0.00 0.00 175.02 171.41 1s6o n THR 13 N 6.62 0.89 -3.31 2.05 5.66 -1.26 -4.65 114.28 120.27 1s6o n THR 13 Ca 0.22 -0.95 -0.07 0.00 -3.05 0.00 0.00 64.05 60.21 1s6o n THR 13 Cb 0.50 0.49 -0.07 0.00 -1.55 0.00 0.00 70.33 69.70 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 5.38 0.00 -3.54 0.00 -0.00 -1.26 -4.86 115.22 110.94 1s6o n HIS 15 Ca -0.03 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.04 1s6o n HIS 15 Cb 0.50 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.33 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1s6o s SER 16 N 0.00 -0.42 -0.50 0.26 0.15 -1.26 -5.05 113.70 106.88 1s6o s SER 16 Ca 0.00 0.29 -0.11 0.00 0.70 0.00 0.00 55.95 56.83 1s6o s SER 16 Cb 0.00 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1s6o s SER 16 CO 0.00 -0.51 0.46 0.00 1.20 0.00 0.00 173.24 174.39 1s6o n THR 18 N -1.34 0.00 -0.23 0.00 -2.24 -1.26 -4.78 114.28 104.43 1s6o n THR 18 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1s6o n THR 18 Cb 0.51 -0.58 0.40 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.96 0.50 113.55 116.28 1s6o h SER 19 Ca 0.00 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1s6o h SER 19 Cb 0.00 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1s6o h SER 19 CO 0.00 0.32 -0.47 0.74 -1.14 0.00 0.00 176.83 176.28 1s6o h THR 20 N 0.64 0.08 -0.06 -2.27 2.02 -1.98 0.25 112.91 111.59 1s6o h THR 20 Ca 0.41 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.62 1s6o h THR 20 Cb 0.68 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1s6o h THR 20 CO -0.17 0.00 -0.16 0.40 0.37 0.00 0.00 175.52 175.96 1s6o h ILE 21 N -0.73 0.60 0.22 3.11 5.03 -0.46 0.57 117.51 125.85 1s6o h ILE 21 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 1s6o h ILE 21 Cb 0.73 0.60 -0.00 0.00 -3.03 0.00 0.00 36.82 35.12 1s6o h ILE 21 CO -0.24 0.00 -0.13 -0.33 -0.68 0.00 0.00 178.15 176.77 1s6o h GLU 22 N -0.23 -0.32 -0.63 2.37 5.08 -0.49 0.92 114.58 121.28 1s6o h GLU 22 Ca 0.07 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1s6o h GLU 22 Cb 0.33 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.53 1s6o h GLU 22 CO -0.20 -0.21 -0.24 0.78 -1.00 0.00 0.00 179.01 178.15 1s6o h GLY 23 N -0.33 0.24 0.83 -3.84 0.00 -0.56 0.23 103.07 99.64 1s6o h GLY 23 Ca -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1s6o h GLY 23 CO 0.03 -0.24 0.03 1.70 0.00 0.00 0.00 176.54 178.06 1s6o h LYS 24 N -0.07 0.14 -0.07 4.80 3.64 -0.80 -2.30 116.57 121.90 1s6o h LYS 24 Ca 0.28 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1s6o h LYS 24 Cb 0.52 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1s6o h LYS 24 CO -0.68 0.29 0.05 0.82 -2.27 0.00 0.00 179.45 177.66 1s6o h ILE 25 N -0.05 0.98 -0.30 2.00 1.08 -0.23 -0.29 117.51 120.70 1s6o h ILE 25 Ca 0.03 -0.01 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 1s6o h ILE 25 Cb 0.21 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1s6o h ILE 25 CO -0.00 0.00 0.53 1.23 -0.69 0.00 0.00 178.15 179.22 1s6o h GLY 26 N 0.02 0.00 1.81 5.37 0.00 0.04 0.97 103.07 111.29 1s6o h GLY 26 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1s6o h GLY 26 CO -0.00 0.00 -0.17 0.50 0.00 0.00 0.00 176.54 176.87 1s6o h LYS 27 N 0.00 0.00 -6.79 4.80 1.79 -1.08 -3.46 116.57 111.83 1s6o h LYS 27 Ca 0.14 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.09 1s6o h LYS 27 Cb 1.19 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.90 1s6o h LYS 27 CO -0.00 0.00 0.74 -0.51 -1.08 0.00 0.00 179.45 178.60 1s6o s LEU 28 N -5.51 4.39 -0.56 2.94 2.01 0.33 -4.85 118.68 117.43 1s6o s LEU 28 Ca 0.07 2.70 -0.27 0.00 0.01 0.00 0.00 54.13 56.64 1s6o s LEU 28 Cb 0.08 -3.63 -0.10 0.00 0.01 0.00 0.00 46.19 42.55 1s6o s LEU 28 CO 0.67 -0.68 2.46 0.00 1.01 0.00 0.00 176.35 179.80 1s6o n GLN 29 N 1.90 0.90 0.00 1.70 10.64 -1.26 -0.92 117.38 130.33 1s6o n GLN 29 Ca 0.05 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1s6o n GLN 29 Cb 0.40 -3.08 0.00 0.00 -0.86 0.00 0.00 30.24 26.70 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 6.10 1.05 3.73 2.61 0.00 -1.26 -3.76 105.19 113.66 1s6o n GLY 30 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.90 4.40 -0.17 1.61 1.01 -0.10 -3.63 120.40 122.62 1s6o s VAL 31 Ca 0.00 2.00 0.05 0.00 0.00 0.00 0.00 61.98 64.03 1s6o s VAL 31 Cb 0.00 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.96 1s6o s VAL 31 CO 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 175.10 175.31 1s6o n GLN 32 N 2.72 0.82 -3.87 2.72 1.13 0.23 -4.85 117.38 116.28 1s6o n GLN 32 Ca 0.02 0.07 -0.07 0.00 -1.94 0.00 0.00 57.00 55.08 1s6o n GLN 32 Cb 0.49 -1.37 -0.02 0.00 0.11 0.00 0.00 30.24 29.44 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 1.75 0.02 -1.09 3.52 -1.06 -5.00 118.95 114.71 1s6o s ARG 33 Ca -0.20 -1.01 -0.15 0.00 -0.13 0.00 0.00 55.73 54.25 1s6o s ARG 33 Cb 0.06 0.59 0.02 0.00 -1.56 0.00 0.00 34.95 34.06 1s6o s ARG 33 CO 0.48 -0.79 0.32 -1.50 -0.81 0.00 0.00 175.30 173.00 1s6o s ILE 34 N -3.93 0.07 -0.20 4.11 2.07 -1.26 -0.36 121.20 121.70 1s6o s ILE 34 Ca 0.12 -0.57 -0.05 0.00 -1.41 0.00 0.00 60.65 58.74 1s6o s ILE 34 Cb -0.05 -0.80 0.10 0.00 0.13 0.00 0.00 42.46 41.84 1s6o s ILE 34 CO 0.07 -0.31 0.36 -1.59 -1.91 0.00 0.00 174.94 171.56 1s6o s LYS 35 N -1.99 0.29 -0.25 3.50 -2.85 0.00 -4.99 119.74 113.44 1s6o s LYS 35 Ca -0.09 0.77 -0.05 0.00 -1.00 0.00 0.00 55.97 55.60 1s6o s LYS 35 Cb -0.03 -0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.65 1s6o s LYS 35 CO 0.00 -0.41 -0.00 0.08 0.10 0.00 0.00 175.35 175.12 1s6o s VAL 36 N 2.54 3.54 -0.41 1.79 1.01 -1.26 -0.72 120.40 126.88 1s6o s VAL 36 Ca 0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1s6o s VAL 36 Cb -0.13 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.58 1s6o s VAL 36 CO -0.13 0.28 0.27 -0.44 0.00 0.00 0.00 175.10 175.08 1s6o s SER 37 N 1.47 5.86 1.44 3.32 0.01 0.52 -4.99 113.70 121.34 1s6o s SER 37 Ca 0.04 -1.14 -0.22 0.00 1.31 0.00 0.00 55.95 55.94 1s6o s SER 37 Cb -0.16 -2.07 0.35 0.00 0.21 0.00 0.00 66.02 64.35 1s6o s SER 37 CO -0.01 -0.47 0.81 0.18 0.41 0.00 0.00 173.24 174.15 1s6o n LEU 38 N 5.05 0.00 0.00 2.44 4.77 -1.26 -1.03 117.00 126.97 1s6o n LEU 38 Ca -0.11 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1s6o n LEU 38 Cb 0.45 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1s6o n LEU 38 CO 0.40 -2.71 0.00 0.47 -1.33 0.00 0.00 177.39 174.22 1s6o n ASP 39 N -5.57 0.00 0.26 -1.43 9.92 -1.20 -2.99 116.55 115.54 1s6o n ASP 39 Ca 0.13 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.48 1s6o n ASP 39 Cb 0.55 0.00 0.67 0.00 -0.64 0.00 0.00 41.12 41.70 1s6o n ASP 39 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1s6o h ASN 40 N 0.00 0.00 -5.13 -2.24 2.35 -1.90 -3.47 115.58 105.19 1s6o h ASN 40 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 1s6o h ASN 40 Cb 0.00 0.00 0.17 0.00 0.05 0.00 0.00 38.32 38.54 1s6o h ASN 40 CO 0.00 0.07 -0.72 1.67 -1.65 0.00 0.00 177.43 176.80 1s6o n GLN 41 N -4.22 -1.92 -3.71 0.81 7.27 -0.82 -5.04 117.38 109.75 1s6o n GLN 41 Ca -0.03 0.78 -0.11 0.00 0.07 0.00 0.00 57.00 57.71 1s6o n GLN 41 Cb 0.15 -5.28 -0.06 0.00 2.41 0.00 0.00 30.24 27.46 1s6o n GLN 41 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1s6o s GLU 42 N -4.16 0.91 0.16 3.69 2.12 -0.19 -4.02 118.70 117.21 1s6o s GLU 42 Ca 0.38 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 1s6o s GLU 42 Cb -0.05 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.70 1s6o s GLU 42 CO 0.64 -0.31 0.14 0.00 -0.54 0.00 0.00 175.26 175.19 1s6o s ALA 43 N -2.92 0.69 -0.00 6.30 0.00 -0.08 -0.35 121.76 125.39 1s6o s ALA 43 Ca -0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.55 1s6o s ALA 43 Cb 0.00 0.99 -0.00 0.00 0.00 0.00 0.00 23.12 24.11 1s6o s ALA 43 CO -0.06 -0.56 0.04 0.99 0.00 0.00 0.00 175.76 176.17 1s6o s THR 44 N -4.05 0.04 0.28 0.00 2.01 0.10 -0.89 115.64 113.13 1s6o s THR 44 Ca 0.26 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 62.00 1s6o s THR 44 Cb 0.06 -0.17 -0.06 0.00 0.01 0.00 0.00 72.50 72.34 1s6o s THR 44 CO 0.04 -0.19 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.04 1s6o s ILE 45 N -0.56 1.98 -0.16 1.82 1.01 -1.09 -0.82 121.20 123.39 1s6o s ILE 45 Ca -0.06 -2.22 -0.02 0.00 0.00 0.00 0.00 60.65 58.34 1s6o s ILE 45 Cb -0.04 -2.39 0.05 0.00 0.01 0.00 0.00 42.46 40.09 1s6o s ILE 45 CO -0.00 -0.35 0.02 0.54 0.00 0.00 0.00 174.94 175.15 1s6o s VAL 46 N -2.80 0.51 0.39 2.92 0.11 0.51 -0.49 120.40 121.55 1s6o s VAL 46 Ca 0.29 -0.36 -0.14 0.00 -2.93 0.00 0.00 61.98 58.84 1s6o s VAL 46 Cb 0.01 -0.90 0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1s6o s VAL 46 CO 0.13 -0.05 0.77 -0.72 -3.33 0.00 0.00 175.10 171.90 1s6o s TYR 47 N 1.88 0.23 0.02 1.54 1.13 -0.51 -0.60 117.35 121.04 1s6o s TYR 47 Ca 0.01 -0.89 0.00 0.00 -1.41 0.00 0.00 57.07 54.78 1s6o s TYR 47 Cb -0.16 0.77 -0.02 0.00 -1.10 0.00 0.00 41.96 41.46 1s6o s TYR 47 CO -0.07 -1.56 -0.03 1.14 -2.51 0.00 0.00 175.55 172.52 1s6o s GLN 48 N -2.24 0.26 -1.14 -3.49 -2.07 -1.24 0.02 119.66 109.77 1s6o s GLN 48 Ca 0.17 -0.49 -0.23 0.00 -1.82 0.00 0.00 55.36 52.99 1s6o s GLN 48 Cb -0.05 0.06 -0.11 0.00 -1.09 0.00 0.00 33.01 31.82 1s6o s GLN 48 CO 0.13 -0.03 1.95 -0.35 -1.32 0.00 0.00 175.29 175.67 1s6o n PRO 49 N 1.90 1.39 0.04 9.60 -0.04 -1.26 -3.51 135.00 143.12 1s6o n PRO 49 Ca -0.21 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 60.92 1s6o n PRO 49 Cb 0.56 -3.70 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 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 14.68 -0.72 0.04 0.54 8.25 -1.26 -4.91 115.22 131.83 1s6o n HIS 50 Ca 0.45 0.13 0.06 0.00 -0.26 0.00 0.00 57.72 58.09 1s6o n HIS 50 Cb 0.46 0.54 -0.08 0.00 1.12 0.00 0.00 29.99 32.03 1s6o n HIS 50 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1s6o n LEU 51 N -2.76 0.60 -4.18 2.41 4.32 -1.23 -4.95 117.00 111.20 1s6o n LEU 51 Ca 0.00 0.25 -0.20 0.00 -0.02 0.00 0.00 56.01 56.03 1s6o n LEU 51 Cb 0.00 0.04 -0.13 0.00 -1.62 0.00 0.00 43.42 41.71 1s6o n LEU 51 CO 0.00 0.02 -0.47 -0.51 -1.22 0.00 0.00 177.39 175.20 1s6o s ILE 52 N -3.18 1.24 -0.28 -0.08 1.10 -1.25 -4.74 121.20 114.01 1s6o s ILE 52 Ca -0.04 -1.19 0.00 0.00 -0.51 0.00 0.00 60.65 58.91 1s6o s ILE 52 Cb 0.10 -1.14 0.03 0.00 0.15 0.00 0.00 42.46 41.59 1s6o s ILE 52 CO 0.83 -0.06 0.90 -1.20 -2.11 0.00 0.00 174.94 173.29 1s6o n SER 53 N 1.58 2.52 0.00 4.50 7.64 -1.26 -4.35 113.62 124.24 1s6o n SER 53 Ca -0.19 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.64 1s6o n SER 53 Cb 0.54 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.32 0.00 0.01 0.44 0.31 -1.26 -3.94 118.33 114.21 1s6o n VAL 54 Ca 0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.16 1s6o n VAL 54 Cb 0.47 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.30 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 0.56 -0.32 5.55 4.57 -1.96 -3.35 114.58 119.63 1s6o h GLU 55 Ca 0.00 -0.57 0.07 0.00 -1.18 0.00 0.00 59.36 57.68 1s6o h GLU 55 Cb 0.00 0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 28.67 1s6o h GLU 55 CO 0.00 1.20 -0.24 0.93 -1.18 0.00 0.00 179.01 179.71 1s6o h GLU 56 N 0.14 -0.21 -0.56 1.92 4.39 -1.93 -0.49 114.58 117.85 1s6o h GLU 56 Ca -0.09 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.67 1s6o h GLU 56 Cb 1.45 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 30.08 1s6o h GLU 56 CO 0.15 -0.14 -0.33 -0.12 -1.16 0.00 0.00 179.01 177.42 1s6o n MET 57 N -5.39 -0.25 -0.07 2.33 1.56 -1.26 -0.18 117.12 113.87 1s6o n MET 57 Ca 0.00 1.13 -0.13 0.00 -0.27 0.00 0.00 57.70 58.43 1s6o n MET 57 Cb 0.30 -1.67 -0.02 0.00 2.15 0.00 0.00 33.22 33.98 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 0.84 -0.13 2.12 3.11 -1.64 -2.73 116.57 118.13 1s6o h LYS 58 Ca 0.09 -0.51 0.04 0.00 -2.81 0.00 0.00 60.65 57.46 1s6o h LYS 58 Cb 0.23 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 1s6o h LYS 58 CO -0.53 1.14 0.11 0.87 -2.81 0.00 0.00 179.45 178.24 1s6o h LYS 59 N 0.65 0.00 -0.78 1.90 6.56 0.59 -1.22 116.57 124.27 1s6o h LYS 59 Ca 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1s6o h LYS 59 Cb 1.11 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.73 1s6o h LYS 59 CO 0.11 0.00 0.48 1.96 -2.06 0.00 0.00 179.45 179.95 1s6o h GLN 60 N 0.00 1.05 -0.87 3.15 4.20 -0.24 0.86 115.11 123.25 1s6o h GLN 60 Ca 0.06 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1s6o h GLN 60 Cb 0.28 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1s6o h GLN 60 CO -0.00 0.73 0.53 0.82 -0.67 0.00 0.00 178.83 180.23 1s6o h ILE 61 N 1.06 1.24 -0.02 2.54 5.03 -1.30 -0.62 117.51 125.45 1s6o h ILE 61 Ca 0.28 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 1s6o h ILE 61 Cb -0.06 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 33.73 1s6o h ILE 61 CO -0.05 0.25 0.01 -0.33 -0.68 0.00 0.00 178.15 177.35 1s6o h GLU 62 N 1.20 0.02 -0.19 2.37 5.08 -0.94 -2.97 114.58 119.15 1s6o h GLU 62 Ca 0.31 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1s6o h GLU 62 Cb -0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1s6o h GLU 62 CO -0.06 0.04 0.15 0.00 -1.00 0.00 0.00 179.01 178.13 1s6o h ALA 63 N 0.98 2.08 -0.83 3.43 0.00 -0.10 0.10 119.26 124.93 1s6o h ALA 63 Ca 0.01 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1s6o h ALA 63 Cb 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1s6o h ALA 63 CO -0.00 -0.25 0.55 0.52 0.00 0.00 0.00 179.25 180.08 1s6o h MET 64 N 0.00 0.38 0.00 0.00 2.86 -0.97 -3.46 114.93 113.74 1s6o h MET 64 Ca 0.09 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1s6o h MET 64 Cb 0.39 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1s6o h MET 64 CO -0.00 0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.63 1s6o n GLY 65 N -1.53 4.00 3.62 8.32 0.00 0.36 -5.11 105.19 114.84 1s6o n GLY 65 Ca 0.17 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 2.37 -0.33 1.61 0.08 -1.23 -4.93 117.98 115.55 1s6o s PHE 66 Ca 0.00 0.70 -0.28 0.00 0.12 0.00 0.00 56.93 57.47 1s6o s PHE 66 Cb 0.00 -4.07 -0.03 0.00 -0.57 0.00 0.00 43.02 38.35 1s6o s PHE 66 CO 0.00 -2.22 1.94 -1.25 -0.10 0.00 0.00 175.22 173.59 1s6o s PRO 67 N 4.66 3.16 0.34 0.24 0.04 -1.26 -4.17 135.00 138.01 1s6o s PRO 67 Ca 0.64 1.52 0.02 0.00 0.04 0.00 0.00 61.00 63.22 1s6o s PRO 67 Cb -0.18 -4.28 -0.01 0.00 0.04 0.00 0.00 34.50 30.07 1s6o s PRO 67 CO 0.28 -2.06 0.09 0.00 0.04 0.00 0.00 177.00 175.35 1s6o n ALA 68 N 11.13 0.42 -3.51 8.56 0.00 -1.26 -3.75 120.51 132.09 1s6o n ALA 68 Ca 0.25 -1.65 -0.14 0.00 0.00 0.00 0.00 53.44 51.90 1s6o n ALA 68 Cb 0.47 1.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.90 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 -2.67 -0.67 -0.16 0.00 5.36 0.01 -4.89 117.98 114.96 1s6o s PHE 69 Ca 0.12 1.62 -0.07 0.00 -0.96 0.00 0.00 56.93 57.64 1s6o s PHE 69 Cb 0.01 0.23 -0.04 0.00 -0.34 0.00 0.00 43.02 42.87 1s6o s PHE 69 CO 0.09 -0.33 0.09 0.54 -1.46 0.00 0.00 175.22 174.15 1s6o s VAL 70 N 0.29 5.06 0.00 3.12 0.11 -1.26 -1.12 120.40 126.61 1s6o s VAL 70 Ca -0.00 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1s6o s VAL 70 Cb -0.04 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1s6o s VAL 70 CO 0.01 0.50 0.00 0.29 -3.33 0.00 0.00 175.10 172.57 1s6o n LYS 71 N 3.05 0.00 -3.53 1.54 5.02 -1.16 -5.01 118.16 118.07 1s6o n LYS 71 Ca -0.17 0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1s6o n LYS 71 Cb 0.53 -0.56 -0.04 0.00 -0.02 0.00 0.00 35.03 34.94 1s6o n LYS 71 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1s6o s LYS 72 N -0.26 1.14 -0.28 1.97 0.00 -1.26 -5.11 119.74 115.93 1s6o s LYS 72 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 55.97 55.49 1s6o s LYS 72 Cb 0.00 0.52 0.15 0.00 0.00 0.00 0.00 37.83 38.49 1s6o s LYS 72 CO 0.00 -0.45 0.59 -1.50 0.00 0.00 0.00 175.35 173.98 1s6o s ILE 73 N -3.23 -0.93 0.14 3.79 -1.16 -1.26 -4.31 121.20 114.24 1s6o s ILE 73 Ca -0.01 0.01 -0.18 0.00 -0.51 0.00 0.00 60.65 59.96 1s6o s ILE 73 Cb -0.00 -0.95 0.05 0.00 0.61 0.00 0.00 42.46 42.17 1s6o s ILE 73 CO -0.08 -0.00 0.46 -1.61 -2.81 0.00 0.00 174.94 170.90 1s6o s GLU 74 N 2.83 1.13 0.98 3.50 8.01 -1.26 -5.03 118.70 128.86 1s6o s GLU 74 Ca 0.06 -0.64 -0.13 0.00 0.01 0.00 0.00 54.97 54.27 1s6o s GLU 74 Cb -0.13 0.51 0.09 0.00 -4.31 0.00 0.00 34.13 30.29 1s6o s GLU 74 CO -0.19 -0.46 0.59 0.41 0.01 0.00 0.00 175.26 175.63 1s6o n GLY 75 N -0.27 -1.65 0.00 -1.39 0.00 -1.26 -4.88 105.19 95.74 1s6o n GLY 75 Ca -0.16 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.13 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19