#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 1.11 -0.04 1.61 0.41 -1.26 -5.00 118.70 115.54 1s6o s GLU 2 Ca 0.00 -0.36 0.06 0.00 -0.41 0.00 0.00 54.97 54.26 1s6o s GLU 2 Cb 0.00 -1.93 -0.01 0.00 -1.78 0.00 0.00 34.13 30.41 1s6o s GLU 2 CO 0.00 -2.08 -0.21 0.08 -0.49 0.00 0.00 175.26 172.56 1s6o s VAL 3 N -3.72 1.69 0.40 2.63 1.01 0.53 -4.94 120.40 118.01 1s6o s VAL 3 Ca 0.70 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1s6o s VAL 3 Cb -0.06 -1.42 -0.10 0.00 0.00 0.00 0.00 36.38 34.79 1s6o s VAL 3 CO 0.51 0.48 0.97 0.54 0.00 0.00 0.00 175.10 177.59 1s6o s VAL 4 N -0.20 4.22 0.00 2.92 0.11 -1.26 -1.19 120.40 125.00 1s6o s VAL 4 Ca 0.00 1.53 0.00 0.00 -2.93 0.00 0.00 61.98 60.59 1s6o s VAL 4 Cb -0.11 -3.70 -0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1s6o s VAL 4 CO 0.02 -0.16 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.40 1s6o s LEU 5 N -2.85 2.04 -0.12 2.54 1.98 0.23 -4.35 118.68 118.15 1s6o s LEU 5 Ca 0.59 -0.10 0.01 0.00 -2.89 0.00 0.00 54.13 51.73 1s6o s LEU 5 Cb -0.13 -0.02 -0.01 0.00 0.66 0.00 0.00 46.19 46.68 1s6o s LEU 5 CO 0.18 -0.04 -0.15 -0.54 -1.89 0.00 0.00 176.35 173.91 1s6o s LYS 6 N -0.28 3.29 0.15 1.98 1.02 -1.26 -0.87 119.74 123.77 1s6o s LYS 6 Ca -0.03 -0.71 0.10 0.00 0.02 0.00 0.00 55.97 55.36 1s6o s LYS 6 Cb -0.02 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1s6o s LYS 6 CO -0.00 0.24 -0.24 0.00 -0.92 0.00 0.00 175.35 174.43 1s6o s MET 7 N 0.28 1.37 -0.07 1.68 0.23 0.09 -0.80 119.30 122.07 1s6o s MET 7 Ca -0.11 -1.37 -0.13 0.00 -1.03 0.00 0.00 55.69 53.06 1s6o s MET 7 Cb -0.16 -1.72 -0.05 0.00 -1.53 0.00 0.00 34.83 31.37 1s6o s MET 7 CO 0.06 0.39 0.33 0.15 -2.03 0.00 0.00 175.02 173.92 1s6o s LYS 8 N -2.28 3.92 -0.56 3.16 -0.14 0.17 -0.85 119.74 123.17 1s6o s LYS 8 Ca 0.15 0.22 0.07 0.00 -1.36 0.00 0.00 55.97 55.04 1s6o s LYS 8 Cb -0.09 -3.28 0.28 0.00 -1.68 0.00 0.00 37.83 33.06 1s6o s LYS 8 CO 0.07 0.57 0.75 0.28 -0.76 0.00 0.00 175.35 176.25 1s6o n VAL 9 N 2.40 1.74 -1.19 3.17 0.31 -0.62 -0.97 118.33 123.16 1s6o n VAL 9 Ca -0.14 -5.02 -0.29 0.00 -0.01 0.00 0.00 64.34 58.88 1s6o n VAL 9 Cb 0.53 -1.78 0.18 0.00 -0.91 0.00 0.00 33.84 31.86 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 -2.45 0.35 0.00 5.55 0.41 -1.25 -4.30 118.70 117.01 1s6o s GLU 10 Ca 0.41 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 1s6o s GLU 10 Cb 0.20 -1.73 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1s6o s GLU 10 CO -0.06 -2.77 0.00 0.41 -0.49 0.00 0.00 175.26 172.35 1s6o n GLY 11 N -1.17 2.26 0.18 -1.39 0.00 -1.26 -4.34 105.19 99.48 1s6o n GLY 11 Ca 0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 1s6o n GLY 11 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1s6o h MET 12 N 0.00 -0.31 -2.75 1.61 2.86 -1.94 -3.46 114.93 110.94 1s6o h MET 12 Ca 0.00 0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 1s6o h MET 12 Cb 0.00 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1s6o h MET 12 CO 0.00 -0.20 -0.16 -2.37 1.06 0.00 0.00 176.91 175.24 1s6o n THR 13 N -5.26 -0.14 -3.72 2.22 5.66 -1.26 -4.89 114.28 106.88 1s6o n THR 13 Ca -0.08 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.81 1s6o n THR 13 Cb 0.18 -0.84 -0.11 0.00 -1.55 0.00 0.00 70.33 68.01 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 3.85 1.23 -2.03 0.00 1.44 -1.26 -3.56 115.22 114.89 1s6o n HIS 15 Ca -0.21 -2.02 -0.00 0.00 -2.01 0.00 0.00 57.72 53.48 1s6o n HIS 15 Cb 0.55 -1.79 -0.00 0.00 0.12 0.00 0.00 29.99 28.87 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 3.53 0.00 -3.01 4.39 2.88 -1.26 -4.91 113.62 115.24 1s6o n SER 16 Ca 0.50 -1.57 -0.15 0.00 -1.33 0.00 0.00 58.87 56.32 1s6o n SER 16 Cb 0.33 -0.09 0.01 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.71 0.00 -0.27 0.00 -2.24 -1.26 -4.74 114.28 106.48 1s6o n THR 18 Ca 0.17 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 1s6o n THR 18 Cb 0.64 -0.56 0.19 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.40 -0.34 3.42 0.87 -1.95 0.47 113.55 116.42 1s6o h SER 19 Ca 0.00 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1s6o h SER 19 Cb 0.00 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 61.92 1s6o h SER 19 CO 0.00 0.17 -0.54 0.74 -0.53 0.00 0.00 176.83 176.67 1s6o h THR 20 N 0.54 0.00 -0.18 2.23 2.02 -1.92 0.18 112.91 115.76 1s6o h THR 20 Ca 0.42 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.62 1s6o h THR 20 Cb 0.60 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1s6o h THR 20 CO -0.37 0.00 0.06 0.40 0.37 0.00 0.00 175.52 175.99 1s6o h ILE 21 N -0.43 0.96 0.45 3.11 5.03 -0.53 0.53 117.51 126.64 1s6o h ILE 21 Ca 0.06 -0.05 -0.02 0.00 -0.12 0.00 0.00 64.86 64.73 1s6o h ILE 21 Cb 0.60 0.79 -0.00 0.00 -3.03 0.00 0.00 36.82 35.18 1s6o h ILE 21 CO -0.55 0.03 -0.31 -0.33 -0.68 0.00 0.00 178.15 176.31 1s6o h GLU 22 N 0.15 -0.70 -0.51 2.37 5.08 -0.04 0.18 114.58 121.12 1s6o h GLU 22 Ca 0.08 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1s6o h GLU 22 Cb 0.05 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 1s6o h GLU 22 CO -0.08 -0.47 -0.36 0.78 -1.00 0.00 0.00 179.01 177.89 1s6o h GLY 23 N -0.72 -0.27 0.69 -3.84 0.00 -0.71 0.26 103.07 98.47 1s6o h GLY 23 Ca -0.06 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1s6o h GLY 23 CO 0.04 -0.20 -0.35 1.70 0.00 0.00 0.00 176.54 177.74 1s6o h LYS 24 N -0.22 -0.73 0.00 4.80 1.63 -0.70 -2.49 116.57 118.85 1s6o h LYS 24 Ca 0.19 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1s6o h LYS 24 Cb 0.55 0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1s6o h LYS 24 CO -0.62 -0.49 -0.04 0.82 -3.45 0.00 0.00 179.45 175.67 1s6o h ILE 25 N -0.76 0.86 -0.42 2.00 1.08 -0.34 -0.68 117.51 119.24 1s6o h ILE 25 Ca -0.04 -0.13 0.12 0.00 -0.39 0.00 0.00 64.86 64.43 1s6o h ILE 25 Cb 0.67 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1s6o h ILE 25 CO -0.03 0.04 0.57 1.23 -0.69 0.00 0.00 178.15 179.27 1s6o h GLY 26 N 0.14 0.00 1.24 5.37 0.00 -0.01 0.84 103.07 110.65 1s6o h GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s6o h GLY 26 CO 0.00 0.00 -0.42 0.28 0.00 0.00 0.00 176.54 176.40 1s6o n LYS 27 N -3.44 0.07 -2.21 4.80 5.02 -0.26 -4.88 118.16 117.26 1s6o n LYS 27 Ca 0.08 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 1s6o n LYS 27 Cb 0.73 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 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 -3.30 4.45 -0.09 -0.35 2.01 0.29 -4.88 118.68 116.81 1s6o s LEU 28 Ca 0.11 2.55 -0.29 0.00 0.01 0.00 0.00 54.13 56.51 1s6o s LEU 28 Cb 0.17 -3.64 -0.07 0.00 0.01 0.00 0.00 46.19 42.66 1s6o s LEU 28 CO 0.67 -0.45 2.01 -1.58 1.01 0.00 0.00 176.35 178.01 1s6o s GLN 29 N -1.44 3.72 0.00 1.70 2.00 -1.26 -1.73 119.66 122.65 1s6o s GLN 29 Ca 0.49 2.27 0.00 0.00 -2.00 0.00 0.00 55.36 56.12 1s6o s GLN 29 Cb -0.38 -4.22 0.00 0.00 0.80 0.00 0.00 33.01 29.21 1s6o s GLN 29 CO 0.48 -1.42 0.00 0.41 -0.50 0.00 0.00 175.29 174.26 1s6o n GLY 30 N 5.00 2.71 3.75 2.59 0.00 -1.26 -3.92 105.19 114.06 1s6o n GLY 30 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.41 4.01 -0.04 1.61 1.01 -0.71 -3.37 120.40 120.50 1s6o s VAL 31 Ca 0.00 1.97 0.01 0.00 0.00 0.00 0.00 61.98 63.95 1s6o s VAL 31 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1s6o s VAL 31 CO 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 175.10 175.51 1s6o n GLN 32 N 1.63 0.42 -3.76 2.72 1.13 0.05 -4.90 117.38 114.68 1s6o n GLN 32 Ca -0.01 0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 54.96 1s6o n GLN 32 Cb 0.47 -1.08 -0.07 0.00 0.11 0.00 0.00 30.24 29.67 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 -2.08 0.85 0.02 -1.09 6.06 -1.14 -5.00 118.95 116.56 1s6o s ARG 33 Ca -0.05 -0.64 0.01 0.00 -2.50 0.00 0.00 55.73 52.55 1s6o s ARG 33 Cb 0.01 0.36 -0.01 0.00 0.06 0.00 0.00 34.95 35.37 1s6o s ARG 33 CO 0.10 -0.28 -0.05 -1.50 -2.50 0.00 0.00 175.30 171.06 1s6o s ILE 34 N -3.03 0.36 -0.12 4.11 2.07 -1.26 -0.67 121.20 122.66 1s6o s ILE 34 Ca -0.02 -0.65 -0.03 0.00 -1.41 0.00 0.00 60.65 58.55 1s6o s ILE 34 Cb 0.01 -0.39 0.05 0.00 0.13 0.00 0.00 42.46 42.25 1s6o s ILE 34 CO -0.06 -0.20 0.06 -0.54 -1.91 0.00 0.00 174.94 172.28 1s6o s LYS 35 N -0.91 0.20 -0.19 3.50 3.01 0.51 -4.99 119.74 120.87 1s6o s LYS 35 Ca -0.06 0.05 -0.08 0.00 -1.01 0.00 0.00 55.97 54.86 1s6o s LYS 35 Cb -0.06 -1.31 -0.04 0.00 -1.01 0.00 0.00 37.83 35.40 1s6o s LYS 35 CO -0.00 -0.50 0.08 0.08 0.51 0.00 0.00 175.35 175.52 1s6o s VAL 36 N 2.08 4.97 -0.65 3.17 1.01 -1.26 -0.48 120.40 129.23 1s6o s VAL 36 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1s6o s VAL 36 Cb -0.14 -3.25 0.16 0.00 0.00 0.00 0.00 36.38 33.15 1s6o s VAL 36 CO -0.06 0.45 0.45 -0.55 0.00 0.00 0.00 175.10 175.39 1s6o s SER 37 N 0.37 5.00 0.30 3.32 0.15 0.21 -4.94 113.70 118.11 1s6o s SER 37 Ca 0.04 -3.25 0.02 0.00 0.70 0.00 0.00 55.95 53.47 1s6o s SER 37 Cb -0.12 -1.76 0.59 0.00 -1.71 0.00 0.00 66.02 63.02 1s6o s SER 37 CO -0.00 -0.24 1.87 0.25 1.20 0.00 0.00 173.24 176.31 1s6o h LEU 38 N 6.38 0.88 -0.63 3.45 7.12 -1.93 0.19 115.31 130.76 1s6o h LEU 38 Ca 0.03 0.03 0.08 0.00 0.13 0.00 0.00 57.88 58.14 1s6o h LEU 38 Cb 0.87 -0.15 -0.10 0.00 -0.53 0.00 0.00 40.66 40.75 1s6o h LEU 38 CO 0.73 0.50 -0.52 0.44 -0.13 0.00 0.00 178.44 179.46 1s6o h ASP 39 N 0.96 -1.79 0.97 1.25 5.19 -1.92 -0.70 116.42 120.39 1s6o h ASP 39 Ca 0.45 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 57.13 1s6o h ASP 39 Cb 0.43 0.78 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1s6o h ASP 39 CO -0.21 -0.34 0.00 -3.20 -3.12 0.00 0.00 179.24 172.37 1s6o n ASN 40 N -5.36 0.03 -1.58 6.45 2.85 -0.33 -4.87 115.26 112.45 1s6o n ASN 40 Ca 0.00 0.50 -0.17 0.00 -0.11 0.00 0.00 54.58 54.81 1s6o n ASN 40 Cb 0.33 -0.51 -0.04 0.00 1.24 0.00 0.00 39.78 40.79 1s6o n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s6o n GLN 41 N -1.53 -1.26 -3.98 1.20 6.02 0.51 -4.95 117.38 113.39 1s6o n GLN 41 Ca 0.07 0.98 -0.08 0.00 -0.01 0.00 0.00 57.00 57.95 1s6o n GLN 41 Cb 0.33 -5.30 -0.09 0.00 1.02 0.00 0.00 30.24 26.20 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 -4.06 0.65 0.06 -1.09 2.12 -0.83 -1.60 118.70 113.95 1s6o s GLU 42 Ca 0.00 -0.99 -0.14 0.00 0.36 0.00 0.00 54.97 54.21 1s6o s GLU 42 Cb 0.00 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.65 1s6o s GLU 42 CO 0.00 -0.16 0.31 0.00 -0.54 0.00 0.00 175.26 174.87 1s6o s ALA 43 N -3.39 -0.67 -0.11 6.30 0.00 -0.03 -0.62 121.76 123.25 1s6o s ALA 43 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1s6o s ALA 43 Cb 0.04 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1s6o s ALA 43 CO -0.08 -0.45 -0.09 0.99 0.00 0.00 0.00 175.76 176.13 1s6o s THR 44 N -2.83 1.11 0.20 0.00 2.01 0.37 -0.73 115.64 115.77 1s6o s THR 44 Ca -0.03 -0.36 0.11 0.00 0.31 0.00 0.00 61.69 61.72 1s6o s THR 44 Cb 0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1s6o s THR 44 CO -0.05 0.38 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.42 1s6o s ILE 45 N 1.49 2.56 -0.10 1.82 1.01 -0.04 -0.36 121.20 127.57 1s6o s ILE 45 Ca 0.01 -2.01 0.02 0.00 0.00 0.00 0.00 60.65 58.68 1s6o s ILE 45 Cb -0.13 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1s6o s ILE 45 CO -0.06 -0.16 -0.15 0.54 0.00 0.00 0.00 174.94 175.10 1s6o s VAL 46 N -1.81 1.49 0.39 2.92 0.11 0.15 -0.60 120.40 123.05 1s6o s VAL 46 Ca 0.23 -0.65 -0.11 0.00 -2.93 0.00 0.00 61.98 58.52 1s6o s VAL 46 Cb -0.08 -1.35 0.04 0.00 -1.53 0.00 0.00 36.38 33.47 1s6o s VAL 46 CO 0.12 0.44 0.72 -0.72 -3.33 0.00 0.00 175.10 172.32 1s6o s TYR 47 N 0.89 0.42 0.01 1.54 -0.85 -0.34 -0.77 117.35 118.25 1s6o s TYR 47 Ca -0.09 -0.99 0.05 0.00 -0.52 0.00 0.00 57.07 55.52 1s6o s TYR 47 Cb -0.15 0.60 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 1s6o s TYR 47 CO 0.00 -1.50 -0.15 1.14 -1.52 0.00 0.00 175.55 173.52 1s6o s GLN 48 N -2.32 1.11 -1.04 -3.49 -2.07 -1.22 -0.35 119.66 110.29 1s6o s GLN 48 Ca 0.20 -0.64 -0.21 0.00 -1.82 0.00 0.00 55.36 52.89 1s6o s GLN 48 Cb -0.04 -1.11 -0.09 0.00 -1.09 0.00 0.00 33.01 30.68 1s6o s GLN 48 CO 0.15 0.29 1.94 -0.35 -1.32 0.00 0.00 175.29 175.99 1s6o n PRO 49 N 2.36 1.84 0.14 9.60 -0.04 -1.26 -3.40 135.00 144.24 1s6o n PRO 49 Ca -0.16 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 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 9.97 -3.01 0.17 0.54 8.25 -1.26 -4.90 115.22 124.99 1s6o n HIS 50 Ca 0.48 0.77 0.12 0.00 -0.26 0.00 0.00 57.72 58.82 1s6o n HIS 50 Cb 0.43 1.81 0.08 0.00 1.12 0.00 0.00 29.99 33.43 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 -8.59 2.41 3.38 -1.85 -3.46 115.31 107.20 1s6o h LEU 51 Ca 0.00 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 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 -0.78 -0.51 0.09 0.00 0.00 178.44 177.24 1s6o s ILE 52 N -3.29 1.41 -0.32 1.22 1.10 -1.24 -4.60 121.20 115.47 1s6o s ILE 52 Ca 0.03 -1.58 0.03 0.00 -0.51 0.00 0.00 60.65 58.62 1s6o s ILE 52 Cb 0.08 -1.44 0.34 0.00 0.15 0.00 0.00 42.46 41.59 1s6o s ILE 52 CO 0.73 -0.27 1.36 -1.20 -2.11 0.00 0.00 174.94 173.46 1s6o n SER 53 N 0.85 3.35 0.00 4.50 7.64 -1.26 -4.44 113.62 124.26 1s6o n SER 53 Ca -0.18 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.01 1s6o n SER 53 Cb 0.55 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.15 0.00 0.10 0.44 0.31 -1.26 -3.90 118.33 113.87 1s6o n VAL 54 Ca 0.25 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.41 1s6o n VAL 54 Cb 0.98 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.77 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 0.31 -0.78 5.55 4.81 -2.00 -3.32 114.58 119.14 1s6o h GLU 55 Ca 0.00 -0.52 0.19 0.00 -0.13 0.00 0.00 59.36 58.89 1s6o h GLU 55 Cb 0.00 0.19 -0.13 0.00 0.63 0.00 0.00 28.75 29.44 1s6o h GLU 55 CO 0.00 1.22 0.09 0.93 -0.73 0.00 0.00 179.01 180.52 1s6o h GLU 56 N 0.08 0.15 -0.91 1.92 4.39 -1.95 0.20 114.58 118.46 1s6o h GLU 56 Ca -0.19 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.66 1s6o h GLU 56 Cb 2.02 -0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 30.48 1s6o h GLU 56 CO 0.20 0.10 -0.31 -0.12 -1.16 0.00 0.00 179.01 177.72 1s6o n MET 57 N -5.29 -0.16 -0.05 2.33 1.56 -1.25 -0.61 117.12 113.65 1s6o n MET 57 Ca 0.16 1.41 -0.14 0.00 -0.27 0.00 0.00 57.70 58.86 1s6o n MET 57 Cb 0.52 -2.10 -0.08 0.00 2.15 0.00 0.00 33.22 33.72 1s6o n MET 57 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1s6o h LYS 58 N 0.00 0.35 -0.21 2.12 6.56 -0.84 -3.20 116.57 121.36 1s6o h LYS 58 Ca 0.36 -0.21 0.06 0.00 -1.06 0.00 0.00 60.65 59.80 1s6o h LYS 58 Cb 0.59 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.26 1s6o h LYS 58 CO -0.92 0.79 0.16 0.87 -2.06 0.00 0.00 179.45 178.29 1s6o h LYS 59 N -0.05 0.00 -0.63 3.15 6.56 -0.05 0.21 116.57 125.76 1s6o h LYS 59 Ca 0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.56 1s6o h LYS 59 Cb 0.75 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.39 1s6o h LYS 59 CO 0.04 0.00 0.23 1.96 -2.06 0.00 0.00 179.45 179.63 1s6o h GLN 60 N 0.00 0.96 -0.35 3.15 1.08 -0.85 0.86 115.11 119.95 1s6o h GLN 60 Ca 0.10 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1s6o h GLN 60 Cb 0.42 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1s6o h GLN 60 CO -0.00 0.82 0.07 0.82 -0.95 0.00 0.00 178.83 179.60 1s6o h ILE 61 N 0.90 1.23 -0.58 2.54 5.03 -0.74 -2.67 117.51 123.22 1s6o h ILE 61 Ca 0.21 -0.79 0.10 0.00 -0.12 0.00 0.00 64.86 64.26 1s6o h ILE 61 Cb 0.24 1.07 -0.07 0.00 -3.03 0.00 0.00 36.82 35.02 1s6o h ILE 61 CO -0.01 0.27 0.17 -0.33 -0.68 0.00 0.00 178.15 177.57 1s6o h GLU 62 N 0.42 0.32 -0.29 2.37 5.08 -0.55 -0.07 114.58 121.86 1s6o h GLU 62 Ca 0.11 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1s6o h GLU 62 Cb 0.32 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1s6o h GLU 62 CO 0.00 0.21 0.29 0.00 -1.00 0.00 0.00 179.01 178.51 1s6o h ALA 63 N 1.42 2.01 0.00 3.43 0.00 -0.58 0.18 119.26 125.73 1s6o h ALA 63 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1s6o h ALA 63 Cb 0.39 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1s6o h ALA 63 CO -0.33 -0.44 -0.16 0.52 0.00 0.00 0.00 179.25 178.83 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.67 -3.46 114.93 113.66 1s6o h MET 64 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1s6o h MET 64 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1s6o h MET 64 CO -0.00 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.54 1s6o n GLY 65 N -0.89 2.65 3.65 8.32 0.00 0.05 -5.10 105.19 113.86 1s6o n GLY 65 Ca -0.02 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.17 3.28 -0.37 1.61 0.08 -1.25 -4.97 117.98 116.19 1s6o s PHE 66 Ca 0.00 1.33 -0.28 0.00 0.12 0.00 0.00 56.93 58.10 1s6o s PHE 66 Cb 0.00 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.05 1s6o s PHE 66 CO 0.00 -0.56 1.88 -1.25 -0.10 0.00 0.00 175.22 175.19 1s6o s PRO 67 N 3.29 3.15 0.00 0.24 0.04 -1.26 -4.04 135.00 136.42 1s6o s PRO 67 Ca 0.43 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1s6o s PRO 67 Cb -0.14 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1s6o s PRO 67 CO 0.09 -2.08 0.00 0.00 0.04 0.00 0.00 177.00 175.05 1s6o n ALA 68 N 11.06 0.00 -3.50 8.56 0.00 -1.26 -3.81 120.51 131.55 1s6o n ALA 68 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.58 1s6o n ALA 68 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 0.98 -0.40 -0.28 0.00 5.36 -0.15 -4.89 117.98 118.60 1s6o s PHE 69 Ca 0.00 0.21 -0.12 0.00 -0.96 0.00 0.00 56.93 56.06 1s6o s PHE 69 Cb 0.00 0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 43.20 1s6o s PHE 69 CO 0.00 -0.71 0.26 0.54 -1.46 0.00 0.00 175.22 173.85 1s6o s VAL 70 N -3.40 5.26 -0.16 3.12 0.11 -1.26 -0.65 120.40 123.42 1s6o s VAL 70 Ca 0.04 0.25 -0.15 0.00 -2.93 0.00 0.00 61.98 59.19 1s6o s VAL 70 Cb -0.01 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1s6o s VAL 70 CO -0.09 0.19 -0.29 0.29 -3.33 0.00 0.00 175.10 171.86 1s6o n LYS 71 N 5.16 0.47 -3.21 1.54 5.02 -0.97 -4.90 118.16 121.27 1s6o n LYS 71 Ca -0.12 0.23 -0.21 0.00 -2.02 0.00 0.00 58.31 56.19 1s6o n LYS 71 Cb 0.51 -1.37 0.05 0.00 -0.02 0.00 0.00 35.03 34.20 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 -2.63 2.26 0.34 1.97 2.47 0.02 -4.98 119.74 119.18 1s6o s LYS 72 Ca -0.24 -1.75 -0.07 0.00 -1.56 0.00 0.00 55.97 52.34 1s6o s LYS 72 Cb 0.03 -2.53 0.01 0.00 -1.46 0.00 0.00 37.83 33.89 1s6o s LYS 72 CO 0.36 -0.86 0.55 0.96 0.16 0.00 0.00 175.35 176.52 1s6o s ILE 73 N -2.71 0.00 0.53 5.43 -4.36 -1.26 -4.49 121.20 114.33 1s6o s ILE 73 Ca 0.57 -1.42 -0.19 0.00 -0.26 0.00 0.00 60.65 59.34 1s6o s ILE 73 Cb -0.05 -2.62 -0.07 0.00 1.25 0.00 0.00 42.46 40.97 1s6o s ILE 73 CO 0.36 0.00 1.07 -1.83 0.24 0.00 0.00 174.94 174.77 1s6o s GLU 74 N -3.04 3.57 0.00 0.37 4.04 -1.26 -4.65 118.70 117.73 1s6o s GLU 74 Ca 0.26 1.39 0.00 0.00 0.04 0.00 0.00 54.97 56.66 1s6o s GLU 74 Cb -0.02 -2.06 0.00 0.00 0.02 0.00 0.00 34.13 32.08 1s6o s GLU 74 CO 0.16 -0.63 0.00 0.41 -1.84 0.00 0.00 175.26 173.36 1s6o n GLY 75 N -0.30 0.35 0.00 -3.83 0.00 -1.26 -5.12 105.19 95.02 1s6o n GLY 75 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19