#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 1.21 0.04 1.61 1.03 -1.26 -4.24 118.70 117.08 1s6o s GLU 2 Ca 0.00 -1.96 -0.19 0.00 0.03 0.00 0.00 54.97 52.85 1s6o s GLU 2 Cb 0.00 -2.19 -0.06 0.00 -0.80 0.00 0.00 34.13 31.08 1s6o s GLU 2 CO 0.00 -1.18 0.56 0.08 -1.33 0.00 0.00 175.26 173.39 1s6o s VAL 3 N 0.38 4.82 -0.09 1.83 1.01 0.91 -4.75 120.40 124.51 1s6o s VAL 3 Ca 0.19 1.19 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1s6o s VAL 3 Cb -0.22 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1s6o s VAL 3 CO -0.01 0.51 0.46 -0.69 0.00 0.00 0.00 175.10 175.38 1s6o s VAL 4 N -0.81 5.13 -0.15 2.92 1.01 0.10 -0.83 120.40 127.78 1s6o s VAL 4 Ca 0.29 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 1s6o s VAL 4 Cb -0.19 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1s6o s VAL 4 CO 0.18 0.39 -0.06 -0.22 0.00 0.00 0.00 175.10 175.39 1s6o s LEU 5 N 0.20 3.11 -0.24 3.92 1.98 0.21 -1.28 118.68 126.59 1s6o s LEU 5 Ca 0.25 -0.18 -0.07 0.00 -2.89 0.00 0.00 54.13 51.24 1s6o s LEU 5 Cb -0.16 -1.74 -0.03 0.00 0.66 0.00 0.00 46.19 44.92 1s6o s LEU 5 CO 0.11 0.17 0.07 -0.54 -1.89 0.00 0.00 176.35 174.27 1s6o s LYS 6 N 0.36 3.72 -0.01 1.98 -0.14 -0.99 -1.11 119.74 123.55 1s6o s LYS 6 Ca -0.06 -0.45 0.04 0.00 -1.36 0.00 0.00 55.97 54.14 1s6o s LYS 6 Cb -0.15 -3.31 -0.01 0.00 -1.68 0.00 0.00 37.83 32.69 1s6o s LYS 6 CO 0.04 -0.10 -0.13 0.00 -0.76 0.00 0.00 175.35 174.39 1s6o s MET 7 N 1.39 1.06 0.35 1.68 0.23 -0.15 -1.23 119.30 122.63 1s6o s MET 7 Ca 0.05 -0.48 -0.25 0.00 -1.03 0.00 0.00 55.69 53.98 1s6o s MET 7 Cb -0.15 -1.03 -0.10 0.00 -1.53 0.00 0.00 34.83 32.03 1s6o s MET 7 CO 0.04 0.28 0.97 0.15 -2.03 0.00 0.00 175.02 174.43 1s6o s LYS 8 N -0.34 4.46 -0.44 3.16 -0.14 0.63 -0.49 119.74 126.57 1s6o s LYS 8 Ca 0.05 1.36 0.07 0.00 -1.36 0.00 0.00 55.97 56.09 1s6o s LYS 8 Cb -0.05 -2.69 0.23 0.00 -1.68 0.00 0.00 37.83 33.65 1s6o s LYS 8 CO -0.00 0.15 0.52 0.28 -0.76 0.00 0.00 175.35 175.55 1s6o n VAL 9 N 0.31 -0.22 -1.23 3.17 0.31 0.21 -1.80 118.33 119.08 1s6o n VAL 9 Ca 0.03 -4.13 -0.30 0.00 -0.01 0.00 0.00 64.34 59.93 1s6o n VAL 9 Cb 0.50 -1.94 0.22 0.00 -0.91 0.00 0.00 33.84 31.71 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 -1.19 -0.61 0.00 5.55 0.41 -1.26 -4.41 118.70 117.20 1s6o s GLU 10 Ca 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.90 1s6o s GLU 10 Cb 0.14 -1.66 0.00 0.00 -1.78 0.00 0.00 34.13 30.82 1s6o s GLU 10 CO -0.11 -3.31 0.00 0.41 -0.49 0.00 0.00 175.26 171.75 1s6o n GLY 11 N -1.42 1.62 3.68 -1.39 0.00 -1.26 -4.70 105.19 101.72 1s6o n GLY 11 Ca 0.12 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 1.64 -3.82 1.61 2.81 -1.26 -5.02 117.12 113.08 1s6o n MET 12 Ca 0.00 0.59 -0.13 0.00 -1.81 0.00 0.00 57.70 56.36 1s6o n MET 12 Cb 0.00 -2.34 -0.13 0.00 -0.71 0.00 0.00 33.22 30.04 1s6o n MET 12 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1s6o s THR 13 N -1.28 -0.01 0.62 2.03 -1.32 -1.26 -5.06 115.64 109.36 1s6o s THR 13 Ca 0.66 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1s6o s THR 13 Cb -0.48 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 1s6o s THR 13 CO 0.54 0.01 0.00 0.00 -2.21 0.00 0.00 174.62 172.97 1s6o n HIS 15 N -3.14 2.15 0.00 0.00 -0.00 -1.26 -4.24 115.22 108.72 1s6o n HIS 15 Ca -0.03 -1.94 0.00 0.00 0.46 0.00 0.00 57.72 56.21 1s6o n HIS 15 Cb 0.56 -1.87 0.00 0.00 -0.12 0.00 0.00 29.99 28.56 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 7.70 0.00 -3.84 0.26 2.88 -1.26 -4.86 113.62 114.49 1s6o n SER 16 Ca 0.50 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.64 1s6o n SER 16 Cb 0.41 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 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 6.66 0.00 -0.23 0.00 -2.24 -1.26 -4.81 114.28 112.40 1s6o n THR 18 Ca 0.48 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.37 1s6o n THR 18 Cb 0.42 -0.01 0.40 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.60 0.01 3.42 0.02 -1.94 0.46 113.55 116.11 1s6o h SER 19 Ca 0.00 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1s6o h SER 19 Cb 0.00 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 1s6o h SER 19 CO 0.00 0.33 -0.45 0.74 -1.14 0.00 0.00 176.83 176.31 1s6o h THR 20 N 0.65 0.00 -0.18 -2.27 2.02 -1.93 0.20 112.91 111.40 1s6o h THR 20 Ca 0.40 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.62 1s6o h THR 20 Cb 0.64 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 1s6o h THR 20 CO -0.16 0.00 -0.11 0.40 0.37 0.00 0.00 175.52 176.01 1s6o h ILE 21 N -0.57 0.66 0.52 3.11 5.03 -0.56 -0.53 117.51 125.17 1s6o h ILE 21 Ca 0.01 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.72 1s6o h ILE 21 Cb 0.61 0.66 -0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1s6o h ILE 21 CO -0.30 0.00 -0.31 -0.33 -0.68 0.00 0.00 178.15 176.54 1s6o h GLU 22 N -0.11 -0.75 -0.66 2.37 5.08 -0.43 0.82 114.58 120.90 1s6o h GLU 22 Ca 0.10 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.63 1s6o h GLU 22 Cb 0.27 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 1s6o h GLU 22 CO -0.24 -0.50 -0.36 0.78 -1.00 0.00 0.00 179.01 177.69 1s6o h GLY 23 N -0.77 -0.12 0.94 -3.84 0.00 -0.64 0.29 103.07 98.93 1s6o h GLY 23 Ca -0.07 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1s6o h GLY 23 CO 0.08 -0.20 -0.22 1.70 0.00 0.00 0.00 176.54 177.90 1s6o h LYS 24 N -0.14 -0.56 -0.57 4.80 3.64 -0.94 -2.56 116.57 120.24 1s6o h LYS 24 Ca 0.25 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1s6o h LYS 24 Cb 0.56 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1s6o h LYS 24 CO -0.73 -0.37 0.38 0.82 -2.27 0.00 0.00 179.45 177.28 1s6o h ILE 25 N -0.58 0.90 -0.02 2.00 1.08 -0.25 -0.19 117.51 120.44 1s6o h ILE 25 Ca -0.05 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1s6o h ILE 25 Cb 0.46 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1s6o h ILE 25 CO 0.06 0.07 0.27 1.23 -0.69 0.00 0.00 178.15 179.09 1s6o h GLY 26 N 0.38 0.00 1.54 5.37 0.00 -0.01 0.11 103.07 110.46 1s6o h GLY 26 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1s6o h GLY 26 CO -0.07 0.00 -0.48 0.50 0.00 0.00 0.00 176.54 176.49 1s6o h LYS 27 N 0.00 0.00 -6.75 4.80 1.79 -1.04 -3.47 116.57 111.89 1s6o h LYS 27 Ca 0.01 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.96 1s6o h LYS 27 Cb 0.56 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.25 1s6o h LYS 27 CO -0.00 0.02 0.66 -0.51 -1.08 0.00 0.00 179.45 178.54 1s6o s LEU 28 N -5.84 4.42 -0.22 2.94 2.01 0.38 -4.89 118.68 117.48 1s6o s LEU 28 Ca 0.03 2.52 -0.34 0.00 0.01 0.00 0.00 54.13 56.36 1s6o s LEU 28 Cb 0.07 -3.62 -0.11 0.00 0.01 0.00 0.00 46.19 42.54 1s6o s LEU 28 CO 0.73 -0.55 2.02 0.00 1.01 0.00 0.00 176.35 179.57 1s6o n GLN 29 N 2.03 1.66 0.00 1.70 10.64 -1.26 -1.81 117.38 130.34 1s6o n GLN 29 Ca 0.04 0.55 0.00 0.00 -1.83 0.00 0.00 57.00 55.76 1s6o n GLN 29 Cb 0.42 -2.61 0.00 0.00 -0.86 0.00 0.00 30.24 27.19 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 5.33 2.20 3.70 2.61 0.00 -1.26 -4.25 105.19 113.52 1s6o n GLY 30 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.08 4.74 -0.18 1.61 1.01 -0.75 -3.59 120.40 121.15 1s6o s VAL 31 Ca 0.00 1.98 -0.20 0.00 0.00 0.00 0.00 61.98 63.75 1s6o s VAL 31 Cb 0.00 -4.27 -0.21 0.00 0.00 0.00 0.00 36.38 31.90 1s6o s VAL 31 CO 0.00 0.10 0.31 1.56 0.00 0.00 0.00 175.10 177.07 1s6o h GLN 32 N 6.93 0.05 -3.02 2.72 1.08 -0.92 -3.47 115.11 118.47 1s6o h GLN 32 Ca -0.38 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 56.80 1s6o h GLN 32 Cb 1.19 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.61 1s6o h GLN 32 CO 0.80 1.04 0.22 0.50 -0.95 0.00 0.00 178.83 180.44 1s6o s ARG 33 N -2.38 1.85 -0.01 1.46 3.52 -0.84 -4.99 118.95 117.56 1s6o s ARG 33 Ca -0.26 -1.06 -0.02 0.00 -0.13 0.00 0.00 55.73 54.25 1s6o s ARG 33 Cb 0.05 0.61 0.00 0.00 -1.56 0.00 0.00 34.95 34.05 1s6o s ARG 33 CO 0.63 -0.85 0.05 -1.50 -0.81 0.00 0.00 175.30 172.82 1s6o s ILE 34 N -3.69 0.03 -0.22 4.11 2.07 -1.26 -0.47 121.20 121.76 1s6o s ILE 34 Ca 0.12 -0.23 -0.03 0.00 -1.41 0.00 0.00 60.65 59.09 1s6o s ILE 34 Cb -0.06 -0.15 0.07 0.00 0.13 0.00 0.00 42.46 42.45 1s6o s ILE 34 CO 0.08 -0.13 0.08 -0.54 -1.91 0.00 0.00 174.94 172.52 1s6o s LYS 35 N -0.38 0.41 -0.22 3.50 3.01 0.36 -5.00 119.74 121.41 1s6o s LYS 35 Ca -0.04 -0.43 -0.12 0.00 -1.01 0.00 0.00 55.97 54.37 1s6o s LYS 35 Cb -0.03 -1.84 -0.05 0.00 -1.01 0.00 0.00 37.83 34.91 1s6o s LYS 35 CO 0.00 -0.77 0.21 0.08 0.51 0.00 0.00 175.35 175.39 1s6o s VAL 36 N 1.95 5.33 -0.76 3.17 1.01 -1.26 -0.47 120.40 129.37 1s6o s VAL 36 Ca 0.03 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1s6o s VAL 36 Cb -0.17 -3.55 0.19 0.00 0.00 0.00 0.00 36.38 32.85 1s6o s VAL 36 CO -0.16 0.34 0.58 -0.55 0.00 0.00 0.00 175.10 175.31 1s6o s SER 37 N 0.96 5.33 0.24 3.32 0.15 0.68 -4.94 113.70 119.44 1s6o s SER 37 Ca 0.10 -3.59 -0.05 0.00 0.70 0.00 0.00 55.95 53.12 1s6o s SER 37 Cb -0.13 -1.78 0.43 0.00 -1.71 0.00 0.00 66.02 62.82 1s6o s SER 37 CO 0.05 -0.18 1.74 0.25 1.20 0.00 0.00 173.24 176.30 1s6o h LEU 38 N 5.98 0.32 -0.93 3.45 6.46 -1.94 0.11 115.31 128.76 1s6o h LEU 38 Ca 0.11 0.10 0.14 0.00 -0.12 0.00 0.00 57.88 58.10 1s6o h LEU 38 Cb 0.82 0.06 -0.15 0.00 -0.73 0.00 0.00 40.66 40.66 1s6o h LEU 38 CO 0.77 0.14 -0.42 0.44 -0.62 0.00 0.00 178.44 178.75 1s6o h ASP 39 N 0.48 -1.53 0.75 1.25 5.19 -1.92 0.19 116.42 120.83 1s6o h ASP 39 Ca 0.40 0.30 0.00 0.00 -0.62 0.00 0.00 57.03 57.11 1s6o h ASP 39 Cb 0.57 0.77 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1s6o h ASP 39 CO -0.37 -0.28 0.00 -3.20 -3.12 0.00 0.00 179.24 172.26 1s6o n ASN 40 N -5.43 0.00 -1.76 6.45 5.15 0.20 -4.88 115.26 114.99 1s6o n ASN 40 Ca 0.08 0.15 -0.19 0.00 -0.60 0.00 0.00 54.58 54.01 1s6o n ASN 40 Cb 0.37 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 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 -1.38 -1.43 -4.09 1.20 6.02 0.67 -4.95 117.38 113.42 1s6o n GLN 41 Ca 0.11 1.10 -0.07 0.00 -0.01 0.00 0.00 57.00 58.12 1s6o n GLN 41 Cb 0.28 -5.52 -0.10 0.00 1.02 0.00 0.00 30.24 25.92 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 -4.13 0.62 0.09 -1.09 2.12 -0.79 -0.61 118.70 114.90 1s6o s GLU 42 Ca 0.00 -1.22 -0.11 0.00 0.36 0.00 0.00 54.97 54.01 1s6o s GLU 42 Cb 0.00 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1s6o s GLU 42 CO 0.00 -0.10 0.25 0.00 -0.54 0.00 0.00 175.26 174.86 1s6o s ALA 43 N -3.85 -0.43 -0.09 6.30 0.00 0.36 -0.23 121.76 123.82 1s6o s ALA 43 Ca 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 1s6o s ALA 43 Cb 0.07 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.71 1s6o s ALA 43 CO -0.09 -0.51 -0.03 0.99 0.00 0.00 0.00 175.76 176.11 1s6o s THR 44 N -3.60 0.67 0.17 0.00 2.01 0.37 -0.98 115.64 114.28 1s6o s THR 44 Ca 0.03 -0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1s6o s THR 44 Cb 0.03 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1s6o s THR 44 CO -0.10 0.30 0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 1s6o s ILE 45 N 1.85 4.34 -0.17 1.82 1.01 -0.27 -0.49 121.20 129.30 1s6o s ILE 45 Ca 0.05 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.55 1s6o s ILE 45 Cb -0.12 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.14 1s6o s ILE 45 CO -0.07 -0.12 -0.20 0.54 0.00 0.00 0.00 174.94 175.09 1s6o s VAL 46 N -1.77 2.01 0.29 2.92 0.11 0.38 -0.62 120.40 123.72 1s6o s VAL 46 Ca 0.30 -0.92 -0.09 0.00 -2.93 0.00 0.00 61.98 58.34 1s6o s VAL 46 Cb -0.10 -1.81 0.04 0.00 -1.53 0.00 0.00 36.38 32.98 1s6o s VAL 46 CO 0.23 0.53 0.54 0.00 -3.33 0.00 0.00 175.10 173.07 1s6o n TYR 47 N 4.50 -1.86 -4.03 1.54 0.18 -0.01 -0.20 117.16 117.29 1s6o n TYR 47 Ca -0.20 -1.45 -0.12 0.00 1.88 0.00 0.00 57.90 58.01 1s6o n TYR 47 Cb 0.50 0.63 -0.12 0.00 -0.38 0.00 0.00 39.34 39.98 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 -2.17 0.41 -0.82 -3.48 -2.07 -1.24 -0.06 119.66 110.23 1s6o s GLN 48 Ca 0.14 -0.64 -0.23 0.00 -1.82 0.00 0.00 55.36 52.81 1s6o s GLN 48 Cb -0.03 -0.13 -0.16 0.00 -1.09 0.00 0.00 33.01 31.61 1s6o s GLN 48 CO 0.10 0.01 1.91 -0.35 -1.32 0.00 0.00 175.29 175.64 1s6o n PRO 49 N 1.66 1.42 0.14 9.60 -0.04 -1.26 -3.63 135.00 142.89 1s6o n PRO 49 Ca -0.22 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1s6o n PRO 49 Cb 0.55 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 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 9.33 -2.64 0.18 0.54 8.25 -1.26 -4.90 115.22 124.72 1s6o n HIS 50 Ca 0.48 0.57 0.12 0.00 -0.26 0.00 0.00 57.72 58.63 1s6o n HIS 50 Cb 0.42 1.08 0.10 0.00 1.12 0.00 0.00 29.99 32.70 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 -8.79 2.41 3.38 -1.86 -3.46 115.31 106.98 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 -0.20 0.00 0.09 0.00 0.00 40.66 40.55 1s6o h LEU 51 CO 0.00 0.00 -0.81 -0.51 0.09 0.00 0.00 178.44 177.21 1s6o s ILE 52 N -3.28 1.88 -0.92 1.22 1.10 -1.25 -4.73 121.20 115.22 1s6o s ILE 52 Ca 0.04 -1.75 0.01 0.00 -0.51 0.00 0.00 60.65 58.43 1s6o s ILE 52 Cb 0.07 -1.77 0.06 0.00 0.15 0.00 0.00 42.46 40.97 1s6o s ILE 52 CO 0.72 -0.14 0.60 -1.20 -2.11 0.00 0.00 174.94 172.81 1s6o n SER 53 N 0.69 1.38 0.00 4.50 7.64 -1.26 -4.41 113.62 122.16 1s6o n SER 53 Ca -0.16 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.65 1s6o n SER 53 Cb 0.55 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.05 0.00 -0.07 0.44 0.31 -1.26 -4.05 118.33 113.76 1s6o n VAL 54 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1s6o n VAL 54 Cb 0.32 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.81 -0.60 5.55 4.81 -2.02 -3.29 114.58 119.85 1s6o h GLU 55 Ca 0.00 -0.50 0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1s6o h GLU 55 Cb 0.00 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.31 1s6o h GLU 55 CO 0.00 1.13 -0.18 0.93 -0.73 0.00 0.00 179.01 180.15 1s6o h GLU 56 N 0.63 -0.03 -0.87 1.92 5.08 -1.94 -0.35 114.58 119.02 1s6o h GLU 56 Ca 0.02 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.59 1s6o h GLU 56 Cb 1.10 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 1s6o h GLU 56 CO 0.11 -0.02 -0.07 1.98 -1.00 0.00 0.00 179.01 180.01 1s6o h MET 57 N -0.04 0.04 0.08 2.33 4.05 -1.92 0.27 114.93 119.74 1s6o h MET 57 Ca 0.28 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1s6o h MET 57 Cb 0.47 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1s6o h MET 57 CO -0.64 0.03 -0.04 -0.22 0.23 0.00 0.00 176.91 176.27 1s6o h LYS 58 N 0.04 -0.10 -0.15 0.39 1.63 -1.32 -3.27 116.57 113.78 1s6o h LYS 58 Ca 0.47 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.32 1s6o h LYS 58 Cb 0.84 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 1s6o h LYS 58 CO -0.83 0.39 0.13 0.87 -3.45 0.00 0.00 179.45 176.57 1s6o h LYS 59 N -0.65 0.00 0.14 1.90 1.79 0.53 0.13 116.57 120.40 1s6o h LYS 59 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1s6o h LYS 59 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1s6o h LYS 59 CO 0.02 0.00 -0.07 1.96 -1.08 0.00 0.00 179.45 180.28 1s6o h GLN 60 N 0.00 -0.18 -0.14 3.15 1.08 -0.66 0.82 115.11 119.18 1s6o h GLN 60 Ca 0.07 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1s6o h GLN 60 Cb 0.34 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 1s6o h GLN 60 CO -0.00 -0.10 -0.04 0.82 -0.95 0.00 0.00 178.83 178.56 1s6o h ILE 61 N -0.21 0.84 -0.48 2.54 5.03 -0.90 -2.13 117.51 122.20 1s6o h ILE 61 Ca -0.02 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.80 1s6o h ILE 61 Cb 0.16 0.84 -0.07 0.00 -3.03 0.00 0.00 36.82 34.72 1s6o h ILE 61 CO 0.03 0.00 0.10 -0.33 -0.68 0.00 0.00 178.15 177.28 1s6o h GLU 62 N -0.02 0.24 0.00 2.37 5.08 -0.72 -0.33 114.58 121.20 1s6o h GLU 62 Ca 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1s6o h GLU 62 Cb 0.12 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1s6o h GLU 62 CO -0.15 0.16 -0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1s6o h ALA 63 N 1.37 1.06 0.00 3.43 0.00 -0.55 0.26 119.26 124.83 1s6o h ALA 63 Ca 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1s6o h ALA 63 Cb 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1s6o h ALA 63 CO -0.31 0.00 -0.05 0.52 0.00 0.00 0.00 179.25 179.42 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.38 -3.46 114.93 113.95 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 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1s6o h MET 64 CO 0.00 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.43 1s6o n GLY 65 N -1.40 2.76 3.60 8.32 0.00 0.08 -5.10 105.19 113.44 1s6o n GLY 65 Ca -0.03 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 2.59 -0.12 1.61 0.08 -1.22 -4.97 117.98 115.96 1s6o s PHE 66 Ca 0.00 0.71 -0.29 0.00 0.12 0.00 0.00 56.93 57.47 1s6o s PHE 66 Cb 0.00 -4.32 -0.05 0.00 -0.57 0.00 0.00 43.02 38.08 1s6o s PHE 66 CO 0.00 -1.66 1.77 -1.25 -0.10 0.00 0.00 175.22 173.98 1s6o s PRO 67 N 4.68 3.90 0.00 0.24 0.04 -1.26 -4.26 135.00 138.34 1s6o s PRO 67 Ca 0.55 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1s6o s PRO 67 Cb -0.11 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1s6o s PRO 67 CO 0.31 -1.19 0.00 0.00 0.04 0.00 0.00 177.00 176.17 1s6o n ALA 68 N 8.26 0.00 -3.63 8.56 0.00 -1.26 -4.20 120.51 128.24 1s6o n ALA 68 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1s6o n ALA 68 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.42 -0.86 0.03 0.00 2.19 -0.74 -4.96 117.98 112.22 1s6o s PHE 69 Ca 0.00 1.95 -0.21 0.00 0.33 0.00 0.00 56.93 59.00 1s6o s PHE 69 Cb 0.00 0.38 -0.06 0.00 -1.31 0.00 0.00 43.02 42.04 1s6o s PHE 69 CO 0.00 -0.42 0.63 0.54 1.83 0.00 0.00 175.22 177.80 1s6o s VAL 70 N 0.76 4.82 0.00 3.12 0.11 -1.26 -0.27 120.40 127.68 1s6o s VAL 70 Ca -0.03 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.34 1s6o s VAL 70 Cb -0.05 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 1s6o s VAL 70 CO -0.06 0.44 0.00 0.29 -3.33 0.00 0.00 175.10 172.44 1s6o n LYS 71 N 2.49 0.00 -3.85 1.54 5.02 -0.36 -4.93 118.16 118.07 1s6o n LYS 71 Ca -0.07 0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 1s6o n LYS 71 Cb 0.51 -0.56 -0.07 0.00 -0.02 0.00 0.00 35.03 34.89 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 -0.94 0.82 -0.42 1.97 2.20 -1.23 -5.04 119.74 117.11 1s6o s LYS 72 Ca 0.00 -0.88 0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1s6o s LYS 72 Cb 0.00 0.33 0.17 0.00 -1.51 0.00 0.00 37.83 36.82 1s6o s LYS 72 CO 0.00 -0.26 0.41 0.96 -0.36 0.00 0.00 175.35 176.11 1s6o s ILE 73 N -3.58 -0.09 0.34 5.43 -5.25 -1.26 -2.34 121.20 114.44 1s6o s ILE 73 Ca 0.03 -1.89 -0.18 0.00 -0.99 0.00 0.00 60.65 57.62 1s6o s ILE 73 Cb 0.04 -0.87 0.05 0.00 2.95 0.00 0.00 42.46 44.63 1s6o s ILE 73 CO -0.10 -0.84 0.82 -1.83 -1.79 0.00 0.00 174.94 171.21 1s6o s GLU 74 N 0.60 2.02 0.00 0.37 -1.05 -0.40 -4.94 118.70 115.29 1s6o s GLU 74 Ca 0.28 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1s6o s GLU 74 Cb -0.03 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1s6o s GLU 74 CO -0.11 -0.94 0.00 0.41 0.95 0.00 0.00 175.26 175.56 1s6o n GLY 75 N -0.54 -0.99 0.71 -3.83 0.00 -1.26 0.01 105.19 99.29 1s6o n GLY 75 Ca -0.07 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.59 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19