#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 0.47 -0.07 1.61 -1.05 -1.26 -4.51 118.70 113.89 1s6o s GLU 2 Ca 0.00 0.55 -0.16 0.00 -0.15 0.00 0.00 54.97 55.21 1s6o s GLU 2 Cb 0.00 0.23 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1s6o s GLU 2 CO 0.00 -0.06 0.39 0.14 0.95 0.00 0.00 175.26 176.68 1s6o s VAL 3 N 0.19 0.03 -0.23 1.83 -7.23 0.50 -4.91 120.40 110.58 1s6o s VAL 3 Ca 0.03 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 1s6o s VAL 3 Cb -0.05 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.25 1s6o s VAL 3 CO -0.07 -0.14 1.10 0.54 -0.31 0.00 0.00 175.10 176.22 1s6o s VAL 4 N -0.77 4.56 -0.11 1.32 0.11 -1.26 -1.89 120.40 122.36 1s6o s VAL 4 Ca -0.09 1.88 0.02 0.00 -2.93 0.00 0.00 61.98 60.86 1s6o s VAL 4 Cb -0.04 -4.25 -0.01 0.00 -1.53 0.00 0.00 36.38 30.55 1s6o s VAL 4 CO 0.04 -0.21 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.20 1s6o s LEU 5 N 3.35 2.44 -0.28 2.54 1.98 0.70 -4.91 118.68 124.49 1s6o s LEU 5 Ca 0.47 -0.41 -0.10 0.00 -2.89 0.00 0.00 54.13 51.19 1s6o s LEU 5 Cb -0.16 -1.52 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 1s6o s LEU 5 CO 0.09 0.19 0.17 -0.54 -1.89 0.00 0.00 176.35 174.37 1s6o s LYS 6 N 0.21 3.80 0.16 1.98 1.02 -1.26 -0.70 119.74 124.95 1s6o s LYS 6 Ca -0.11 -0.41 0.08 0.00 0.02 0.00 0.00 55.97 55.55 1s6o s LYS 6 Cb -0.16 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 1s6o s LYS 6 CO 0.06 -0.23 -0.08 0.00 -0.92 0.00 0.00 175.35 174.18 1s6o s MET 7 N 1.72 2.14 -0.17 1.68 0.23 0.30 -2.30 119.30 122.90 1s6o s MET 7 Ca 0.07 -1.17 -0.09 0.00 -1.03 0.00 0.00 55.69 53.46 1s6o s MET 7 Cb -0.16 -2.24 -0.05 0.00 -1.53 0.00 0.00 34.83 30.86 1s6o s MET 7 CO 0.09 0.46 0.14 0.15 -2.03 0.00 0.00 175.02 173.83 1s6o s LYS 8 N -2.68 3.90 -0.62 3.16 -0.14 0.38 -0.72 119.74 123.03 1s6o s LYS 8 Ca 0.24 -0.18 0.06 0.00 -1.36 0.00 0.00 55.97 54.73 1s6o s LYS 8 Cb -0.09 -3.33 0.27 0.00 -1.68 0.00 0.00 37.83 32.99 1s6o s LYS 8 CO 0.15 0.49 0.78 0.28 -0.76 0.00 0.00 175.35 176.29 1s6o n VAL 9 N 2.92 2.39 -2.17 3.17 0.31 -0.16 -0.69 118.33 124.11 1s6o n VAL 9 Ca -0.17 -5.25 -0.35 0.00 -0.01 0.00 0.00 64.34 58.55 1s6o n VAL 9 Cb 0.53 -1.95 0.01 0.00 -0.91 0.00 0.00 33.84 31.53 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 -2.64 3.23 0.00 5.55 0.41 -1.22 -3.96 118.70 120.06 1s6o s GLU 10 Ca 0.42 1.66 0.00 0.00 -0.41 0.00 0.00 54.97 56.64 1s6o s GLU 10 Cb 0.18 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.55 1s6o s GLU 10 CO -0.04 -0.96 0.00 0.41 -0.49 0.00 0.00 175.26 174.18 1s6o n GLY 11 N 0.23 3.10 3.64 -1.39 0.00 -1.26 -4.18 105.19 105.33 1s6o n GLY 11 Ca 0.12 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 3.88 0.02 1.61 -1.94 -1.25 -4.97 119.30 116.65 1s6o s MET 12 Ca 0.00 2.30 0.09 0.00 -1.71 0.00 0.00 55.69 56.37 1s6o s MET 12 Cb 0.00 -4.17 -0.02 0.00 2.01 0.00 0.00 34.83 32.65 1s6o s MET 12 CO 0.00 -1.23 -0.26 -0.08 -0.01 0.00 0.00 175.02 173.44 1s6o s THR 13 N 5.32 2.08 0.16 2.05 -1.32 -1.26 -4.97 115.64 117.70 1s6o s THR 13 Ca 0.87 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 1s6o s THR 13 Cb -0.37 -1.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.86 1s6o s THR 13 CO 0.37 0.46 0.00 0.00 -2.21 0.00 0.00 174.62 173.23 1s6o n HIS 15 N 0.93 1.10 0.07 0.00 -0.00 -1.26 -4.09 115.22 111.98 1s6o n HIS 15 Ca 0.00 0.33 0.00 0.00 0.46 0.00 0.00 57.72 58.51 1s6o n HIS 15 Cb 0.00 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.39 1s6o n HIS 15 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1s6o n SER 16 N 11.45 -1.23 -3.85 0.26 7.64 -1.26 -5.02 113.62 121.61 1s6o n SER 16 Ca 0.51 0.40 -0.42 0.00 1.01 0.00 0.00 58.87 60.38 1s6o n SER 16 Cb 0.21 1.39 -0.01 0.00 -1.01 0.00 0.00 64.21 64.78 1s6o n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s6o n THR 18 N 5.55 0.00 -0.31 0.00 -2.24 -1.26 -4.84 114.28 111.19 1s6o n THR 18 Ca 0.51 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.36 1s6o n THR 18 Cb 0.40 -0.14 0.28 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.83 -0.09 3.42 0.02 -1.95 0.43 113.55 116.20 1s6o h SER 19 Ca 0.00 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1s6o h SER 19 Cb 0.00 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.35 1s6o h SER 19 CO 0.00 0.48 -0.20 0.74 -1.14 0.00 0.00 176.83 176.71 1s6o h THR 20 N 0.91 0.51 0.29 -2.27 2.02 -1.93 0.22 112.91 112.67 1s6o h THR 20 Ca 0.43 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.61 1s6o h THR 20 Cb 0.43 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1s6o h THR 20 CO -0.20 0.00 -0.18 0.40 0.37 0.00 0.00 175.52 175.91 1s6o h ILE 21 N -0.27 0.62 0.66 3.11 5.03 -0.65 -0.01 117.51 126.01 1s6o h ILE 21 Ca 0.09 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.80 1s6o h ILE 21 Cb 0.39 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 34.80 1s6o h ILE 21 CO -0.25 0.00 -0.44 -0.33 -0.68 0.00 0.00 178.15 176.46 1s6o h GLU 22 N -0.46 -1.00 -0.49 2.37 5.08 -0.32 0.14 114.58 119.91 1s6o h GLU 22 Ca -0.03 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1s6o h GLU 22 Cb 0.38 0.23 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 1s6o h GLU 22 CO 0.03 -0.67 -0.39 0.78 -1.00 0.00 0.00 179.01 177.77 1s6o h GLY 23 N -1.04 -0.36 0.85 -3.84 0.00 -0.64 0.28 103.07 98.32 1s6o h GLY 23 Ca -0.09 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1s6o h GLY 23 CO 0.07 -0.19 0.03 1.70 0.00 0.00 0.00 176.54 178.16 1s6o h LYS 24 N -0.25 0.15 -0.38 4.80 3.64 -0.72 -2.37 116.57 121.44 1s6o h LYS 24 Ca 0.18 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1s6o h LYS 24 Cb 0.56 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1s6o h LYS 24 CO -0.62 0.28 0.25 0.82 -2.27 0.00 0.00 179.45 177.92 1s6o h ILE 25 N -0.02 1.06 0.00 2.00 1.08 -0.45 -0.17 117.51 121.01 1s6o h ILE 25 Ca 0.03 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1s6o h ILE 25 Cb 0.19 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1s6o h ILE 25 CO -0.00 0.08 0.11 0.61 -0.69 0.00 0.00 178.15 178.26 1s6o n GLY 26 N -1.49 -0.68 0.04 5.37 0.00 0.96 -0.46 105.19 108.94 1s6o n GLY 26 Ca 0.03 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1s6o n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s6o n LYS 27 N -1.99 0.26 -2.22 1.61 4.81 -0.08 -4.93 118.16 115.62 1s6o n LYS 27 Ca -0.01 0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 57.06 1s6o n LYS 27 Cb 0.13 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.53 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1s6o s LEU 28 N -3.97 4.44 -0.36 3.14 2.01 0.39 -4.91 118.68 119.42 1s6o s LEU 28 Ca 0.06 2.48 -0.31 0.00 0.01 0.00 0.00 54.13 56.37 1s6o s LEU 28 Cb 0.14 -3.63 -0.09 0.00 0.01 0.00 0.00 46.19 42.62 1s6o s LEU 28 CO 0.76 -0.47 2.26 0.00 1.01 0.00 0.00 176.35 179.91 1s6o n GLN 29 N 1.73 1.30 0.00 1.70 10.64 -1.26 -1.51 117.38 129.99 1s6o n GLN 29 Ca 0.03 0.31 0.00 0.00 -1.83 0.00 0.00 57.00 55.51 1s6o n GLN 29 Cb 0.43 -2.82 0.00 0.00 -0.86 0.00 0.00 30.24 26.99 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 6.22 1.64 3.73 2.61 0.00 -1.26 -3.77 105.19 114.35 1s6o n GLY 30 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.74 4.31 -0.16 1.61 1.01 -0.57 -3.50 120.40 121.37 1s6o s VAL 31 Ca 0.00 1.96 -0.01 0.00 0.00 0.00 0.00 61.98 63.93 1s6o s VAL 31 Cb 0.00 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1s6o s VAL 31 CO 0.00 0.32 -0.16 0.00 0.00 0.00 0.00 175.10 175.27 1s6o n GLN 32 N 2.58 0.38 -3.69 2.72 1.13 0.30 -4.87 117.38 115.94 1s6o n GLN 32 Ca 0.02 0.11 -0.10 0.00 -1.94 0.00 0.00 57.00 55.08 1s6o n GLN 32 Cb 0.48 -1.26 -0.05 0.00 0.11 0.00 0.00 30.24 29.52 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 -2.31 1.01 0.02 -1.09 3.52 -1.16 -5.02 118.95 113.93 1s6o s ARG 33 Ca -0.21 -0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 54.59 1s6o s ARG 33 Cb 0.06 0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 33.88 1s6o s ARG 33 CO 0.34 -0.38 0.08 -1.50 -0.81 0.00 0.00 175.30 173.04 1s6o s ILE 34 N -3.75 0.11 -0.20 4.11 2.07 -1.26 -0.33 121.20 121.95 1s6o s ILE 34 Ca 0.03 -0.95 -0.04 0.00 -1.41 0.00 0.00 60.65 58.28 1s6o s ILE 34 Cb 0.02 -0.64 0.09 0.00 0.13 0.00 0.00 42.46 42.06 1s6o s ILE 34 CO -0.11 -0.52 0.23 -0.75 -1.91 0.00 0.00 174.94 171.87 1s6o s LYS 35 N -2.03 0.19 -0.15 3.50 2.36 0.36 -5.00 119.74 118.97 1s6o s LYS 35 Ca -0.10 0.26 -0.04 0.00 -2.55 0.00 0.00 55.97 53.55 1s6o s LYS 35 Cb -0.05 -1.07 -0.03 0.00 -1.05 0.00 0.00 37.83 35.63 1s6o s LYS 35 CO -0.02 -0.62 -0.03 0.08 1.55 0.00 0.00 175.35 176.31 1s6o s VAL 36 N 2.34 3.98 -0.56 4.02 1.01 -1.26 -0.14 120.40 129.80 1s6o s VAL 36 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1s6o s VAL 36 Cb -0.15 -2.74 0.14 0.00 0.00 0.00 0.00 36.38 33.63 1s6o s VAL 36 CO -0.12 0.50 0.32 -0.55 0.00 0.00 0.00 175.10 175.26 1s6o s SER 37 N 0.24 4.66 0.22 3.32 0.15 0.47 -4.94 113.70 117.82 1s6o s SER 37 Ca -0.02 -2.94 -0.09 0.00 0.70 0.00 0.00 55.95 53.60 1s6o s SER 37 Cb -0.14 -1.72 0.32 0.00 -1.71 0.00 0.00 66.02 62.78 1s6o s SER 37 CO 0.03 -0.28 1.72 0.25 1.20 0.00 0.00 173.24 176.15 1s6o h LEU 38 N 6.71 0.10 -0.81 3.45 6.46 -1.90 0.23 115.31 129.55 1s6o h LEU 38 Ca -0.05 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.90 1s6o h LEU 38 Cb 0.92 0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 40.85 1s6o h LEU 38 CO 0.69 0.05 -0.54 0.44 -0.62 0.00 0.00 178.44 178.47 1s6o h ASP 39 N 0.33 -1.93 0.67 1.25 5.19 -1.92 0.17 116.42 120.18 1s6o h ASP 39 Ca 0.33 0.30 0.00 0.00 -0.62 0.00 0.00 57.03 57.04 1s6o h ASP 39 Cb 0.48 0.86 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1s6o h ASP 39 CO -0.38 -0.29 0.00 -3.20 -3.12 0.00 0.00 179.24 172.25 1s6o n ASN 40 N -5.33 0.00 -0.69 6.45 5.15 -0.56 -4.86 115.26 115.42 1s6o n ASN 40 Ca 0.02 0.14 -0.09 0.00 -0.60 0.00 0.00 54.58 54.04 1s6o n ASN 40 Cb 0.31 -0.37 -0.04 0.00 -0.53 0.00 0.00 39.78 39.15 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 -1.37 -1.26 -4.18 1.20 6.02 0.71 -4.94 117.38 113.56 1s6o n GLN 41 Ca 0.10 0.77 -0.15 0.00 -0.01 0.00 0.00 57.00 57.71 1s6o n GLN 41 Cb 0.25 -4.91 -0.11 0.00 1.02 0.00 0.00 30.24 26.49 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 -2.55 0.85 0.17 -1.09 2.12 -0.58 -0.99 118.70 116.63 1s6o s GLU 42 Ca 0.00 -1.13 -0.09 0.00 0.36 0.00 0.00 54.97 54.10 1s6o s GLU 42 Cb 0.00 -0.59 -0.01 0.00 0.26 0.00 0.00 34.13 33.79 1s6o s GLU 42 CO 0.00 0.10 0.30 0.00 -0.54 0.00 0.00 175.26 175.12 1s6o s ALA 43 N -2.26 -0.03 -0.05 6.30 0.00 0.10 -0.39 121.76 125.43 1s6o s ALA 43 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1s6o s ALA 43 Cb -0.04 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1s6o s ALA 43 CO 0.01 -0.66 -0.03 0.99 0.00 0.00 0.00 175.76 176.06 1s6o s THR 44 N -3.97 0.47 0.14 0.00 2.01 0.80 -0.54 115.64 114.56 1s6o s THR 44 Ca 0.18 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.19 1s6o s THR 44 Cb 0.03 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1s6o s THR 44 CO 0.01 0.23 0.03 -0.63 -0.69 0.00 0.00 174.62 173.57 1s6o s ILE 45 N 1.23 4.00 -0.19 1.82 1.09 0.12 -0.49 121.20 128.79 1s6o s ILE 45 Ca -0.06 -1.19 0.01 0.00 -1.10 0.00 0.00 60.65 58.31 1s6o s ILE 45 Cb -0.14 -2.98 0.03 0.00 -1.06 0.00 0.00 42.46 38.32 1s6o s ILE 45 CO -0.02 -0.02 -0.16 -0.69 -0.10 0.00 0.00 174.94 173.95 1s6o s VAL 46 N -1.58 1.90 0.37 2.92 1.01 0.55 -0.22 120.40 125.35 1s6o s VAL 46 Ca 0.28 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1s6o s VAL 46 Cb -0.10 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.50 1s6o s VAL 46 CO 0.20 0.36 0.67 0.00 0.00 0.00 0.00 175.10 176.33 1s6o n TYR 47 N 4.63 -2.06 -4.23 5.22 0.18 -0.79 -0.53 117.16 119.58 1s6o n TYR 47 Ca -0.18 -1.92 -0.18 0.00 1.88 0.00 0.00 57.90 57.50 1s6o n TYR 47 Cb 0.48 0.79 -0.12 0.00 -0.38 0.00 0.00 39.34 40.10 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 -2.29 0.81 -0.94 -3.48 -2.07 -1.23 -0.37 119.66 110.09 1s6o s GLN 48 Ca 0.19 -0.82 -0.22 0.00 -1.82 0.00 0.00 55.36 52.70 1s6o s GLN 48 Cb -0.04 -0.78 -0.12 0.00 -1.09 0.00 0.00 33.01 30.98 1s6o s GLN 48 CO 0.14 0.18 1.94 -0.35 -1.32 0.00 0.00 175.29 175.88 1s6o n PRO 49 N 1.62 1.67 0.14 9.60 -0.04 -1.26 -3.71 135.00 143.03 1s6o n PRO 49 Ca -0.20 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1s6o n PRO 49 Cb 0.55 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 9.24 -2.84 0.12 0.54 8.25 -1.26 -4.91 115.22 124.36 1s6o n HIS 50 Ca 0.49 0.69 0.04 0.00 -0.26 0.00 0.00 57.72 58.68 1s6o n HIS 50 Cb 0.42 1.54 0.01 0.00 1.12 0.00 0.00 29.99 33.08 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 -9.41 2.41 3.38 -1.83 -3.46 115.31 106.40 1s6o h LEU 51 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1s6o h LEU 51 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1s6o h LEU 51 CO 0.00 0.41 -0.69 -0.51 0.09 0.00 0.00 178.44 177.74 1s6o s ILE 52 N -3.02 3.26 -1.20 1.22 1.10 -1.24 -4.74 121.20 116.58 1s6o s ILE 52 Ca 0.02 -1.79 0.02 0.00 -0.51 0.00 0.00 60.65 58.39 1s6o s ILE 52 Cb 0.08 -2.67 0.07 0.00 0.15 0.00 0.00 42.46 40.09 1s6o s ILE 52 CO 0.76 -0.23 0.73 -1.20 -2.11 0.00 0.00 174.94 172.89 1s6o n SER 53 N -0.35 1.18 0.00 4.50 7.64 -1.26 -4.52 113.62 120.80 1s6o n SER 53 Ca -0.09 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1s6o n SER 53 Cb 0.57 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.03 0.00 0.01 0.44 0.31 -1.26 -4.21 118.33 113.59 1s6o n VAL 54 Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.31 1s6o n VAL 54 Cb 0.27 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.00 -0.95 5.55 4.81 -2.01 -3.34 114.58 118.64 1s6o h GLU 55 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1s6o h GLU 55 Cb 0.00 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.22 1s6o h GLU 55 CO 0.00 0.48 -0.35 0.93 -0.73 0.00 0.00 179.01 179.34 1s6o h GLU 56 N 0.00 -0.02 -0.14 1.92 5.08 -1.95 -0.07 114.58 119.41 1s6o h GLU 56 Ca -0.20 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1s6o h GLU 56 Cb 1.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1s6o h GLU 56 CO 0.07 -0.01 -0.12 0.52 -1.00 0.00 0.00 179.01 178.47 1s6o h MET 57 N -0.02 -0.04 -0.41 2.33 2.86 -1.94 0.34 114.93 118.05 1s6o h MET 57 Ca 0.36 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 58.04 1s6o h MET 57 Cb 0.62 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1s6o h MET 57 CO -0.96 -0.03 0.20 -0.22 1.06 0.00 0.00 176.91 176.97 1s6o h LYS 58 N -0.04 0.40 -0.86 1.72 3.11 -1.60 -0.70 116.57 118.60 1s6o h LYS 58 Ca 0.02 -0.02 0.22 0.00 -2.81 0.00 0.00 60.65 58.06 1s6o h LYS 58 Cb 0.10 -0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 31.19 1s6o h LYS 58 CO -0.15 0.26 0.59 0.87 -2.81 0.00 0.00 179.45 178.21 1s6o h LYS 59 N 0.41 0.21 -0.28 1.90 6.56 -0.31 0.75 116.57 125.82 1s6o h LYS 59 Ca 0.17 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.65 1s6o h LYS 59 Cb 0.08 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 1s6o h LYS 59 CO -0.12 0.14 -0.21 -0.56 -2.06 0.00 0.00 179.45 176.64 1s6o h GLN 60 N 0.22 0.63 -0.99 3.15 3.07 0.12 0.52 115.11 121.83 1s6o h GLN 60 Ca 0.43 -0.31 0.05 0.00 0.09 0.00 0.00 58.65 58.91 1s6o h GLN 60 Cb 1.35 -0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.84 1s6o h GLN 60 CO -0.10 0.91 0.65 0.82 0.09 0.00 0.00 178.83 181.19 1s6o h ILE 61 N 0.37 1.13 0.33 1.86 5.03 -0.76 -0.29 117.51 125.18 1s6o h ILE 61 Ca 0.05 -0.41 -0.00 0.00 -0.12 0.00 0.00 64.86 64.38 1s6o h ILE 61 Cb 0.76 -0.18 -0.02 0.00 -3.03 0.00 0.00 36.82 34.35 1s6o h ILE 61 CO 0.06 0.22 -0.28 -0.33 -0.68 0.00 0.00 178.15 177.13 1s6o h GLU 62 N 1.20 -0.60 -0.59 2.37 5.08 -0.51 -2.97 114.58 118.55 1s6o h GLU 62 Ca 0.41 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.98 1s6o h GLU 62 Cb 0.09 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1s6o h GLU 62 CO -0.15 -0.40 0.42 0.00 -1.00 0.00 0.00 179.01 177.88 1s6o h ALA 63 N -0.06 2.48 -0.97 3.43 0.00 -0.08 0.99 119.26 125.05 1s6o h ALA 63 Ca -0.02 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.10 1s6o h ALA 63 Cb 0.56 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1s6o h ALA 63 CO -0.03 -0.65 0.63 0.52 0.00 0.00 0.00 179.25 179.72 1s6o h MET 64 N 0.05 0.41 0.00 0.00 2.86 -0.91 -3.45 114.93 113.89 1s6o h MET 64 Ca 0.28 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1s6o h MET 64 Cb 1.06 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1s6o h MET 64 CO -0.02 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.63 1s6o n GLY 65 N -1.49 0.85 3.01 8.32 0.00 0.30 -5.14 105.19 111.04 1s6o n GLY 65 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.43 -0.32 -0.29 1.61 0.08 -0.97 -5.07 117.98 111.59 1s6o s PHE 66 Ca 0.00 0.78 -0.29 0.00 0.12 0.00 0.00 56.93 57.54 1s6o s PHE 66 Cb 0.00 -0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.41 1s6o s PHE 66 CO 0.00 -0.26 1.80 -1.25 -0.10 0.00 0.00 175.22 175.41 1s6o s PRO 67 N 1.63 3.43 0.00 0.24 0.04 -1.26 -4.06 135.00 135.02 1s6o s PRO 67 Ca -0.06 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1s6o s PRO 67 Cb -0.11 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1s6o s PRO 67 CO -0.08 -1.74 0.00 0.00 0.04 0.00 0.00 177.00 175.22 1s6o n ALA 68 N 9.96 0.00 -3.55 8.56 0.00 -1.26 -3.44 120.51 130.77 1s6o n ALA 68 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 1s6o n ALA 68 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 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 0.23 -0.51 -0.08 0.00 5.36 0.14 -4.91 117.98 118.21 1s6o s PHE 69 Ca 0.00 0.90 0.04 0.00 -0.96 0.00 0.00 56.93 56.90 1s6o s PHE 69 Cb 0.00 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1s6o s PHE 69 CO 0.00 -0.46 -0.20 0.54 -1.46 0.00 0.00 175.22 173.64 1s6o s VAL 70 N -1.09 1.70 0.00 3.12 0.11 -1.26 -0.47 120.40 122.51 1s6o s VAL 70 Ca -0.06 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1s6o s VAL 70 Cb -0.00 -1.48 0.00 0.00 -1.53 0.00 0.00 36.38 33.36 1s6o s VAL 70 CO 0.05 0.48 0.00 0.29 -3.33 0.00 0.00 175.10 172.59 1s6o n LYS 71 N 3.51 0.00 -3.61 1.54 5.02 -0.97 -4.98 118.16 118.67 1s6o n LYS 71 Ca -0.20 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.93 1s6o n LYS 71 Cb 0.52 -0.09 -0.07 0.00 -0.02 0.00 0.00 35.03 35.37 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 0.00 0.91 -0.11 1.97 2.36 -1.26 -5.10 119.74 118.51 1s6o s LYS 72 Ca 0.00 0.06 -0.25 0.00 -2.55 0.00 0.00 55.97 53.24 1s6o s LYS 72 Cb 0.00 0.42 0.06 0.00 -1.05 0.00 0.00 37.83 37.26 1s6o s LYS 72 CO 0.00 -0.28 0.59 -1.50 1.55 0.00 0.00 175.35 175.72 1s6o s ILE 73 N -1.31 0.01 0.16 5.43 1.10 -1.26 -4.52 121.20 120.80 1s6o s ILE 73 Ca -0.12 -0.08 -0.19 0.00 -0.51 0.00 0.00 60.65 59.75 1s6o s ILE 73 Cb -0.02 -0.88 0.04 0.00 0.15 0.00 0.00 42.46 41.75 1s6o s ILE 73 CO 0.07 -0.04 0.50 -1.61 -2.11 0.00 0.00 174.94 171.75 1s6o s GLU 74 N -0.66 1.23 0.31 3.50 2.02 -1.26 -5.12 118.70 118.73 1s6o s GLU 74 Ca -0.07 -0.67 -0.14 0.00 0.02 0.00 0.00 54.97 54.10 1s6o s GLU 74 Cb -0.02 0.53 0.02 0.00 0.10 0.00 0.00 34.13 34.75 1s6o s GLU 74 CO 0.06 -0.51 0.64 0.20 0.02 0.00 0.00 175.26 175.66 1s6o s GLY 75 N -2.81 0.46 0.00 -1.39 0.00 -1.26 -4.85 107.32 97.47 1s6o s GLY 75 Ca 0.04 -0.78 0.30 0.00 0.00 0.00 0.00 44.72 44.28 1s6o s GLY 75 CO -0.10 -0.44 2.03 0.54 0.00 0.00 0.00 173.10 175.14