#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 1.06 -0.12 1.61 8.01 -1.26 -5.01 118.70 122.99 1s6o s GLU 2 Ca 0.00 -0.98 -0.26 0.00 0.01 0.00 0.00 54.97 53.74 1s6o s GLU 2 Cb 0.00 -2.13 -0.02 0.00 -4.31 0.00 0.00 34.13 27.67 1s6o s GLU 2 CO 0.00 -1.97 0.85 0.08 0.01 0.00 0.00 175.26 174.23 1s6o s VAL 3 N -3.49 4.89 -0.16 2.63 1.01 0.51 -4.70 120.40 121.10 1s6o s VAL 3 Ca 0.71 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 64.11 1s6o s VAL 3 Cb -0.03 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1s6o s VAL 3 CO 0.49 0.08 1.16 -0.69 0.00 0.00 0.00 175.10 176.14 1s6o s VAL 4 N 1.76 4.44 -0.09 2.92 1.01 -1.26 -1.24 120.40 127.94 1s6o s VAL 4 Ca 0.41 1.74 0.04 0.00 0.00 0.00 0.00 61.98 64.17 1s6o s VAL 4 Cb -0.17 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1s6o s VAL 4 CO 0.16 -0.11 -0.21 -0.22 0.00 0.00 0.00 175.10 174.72 1s6o s LEU 5 N 3.06 2.30 -0.12 3.92 1.98 0.07 -4.95 118.68 124.94 1s6o s LEU 5 Ca 0.51 -0.45 -0.09 0.00 -2.89 0.00 0.00 54.13 51.21 1s6o s LEU 5 Cb -0.20 -1.46 -0.04 0.00 0.66 0.00 0.00 46.19 45.15 1s6o s LEU 5 CO 0.14 0.21 0.18 -0.54 -1.89 0.00 0.00 176.35 174.44 1s6o s LYS 6 N 0.07 3.66 0.02 1.98 1.02 -1.26 -1.16 119.74 124.08 1s6o s LYS 6 Ca -0.09 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 55.84 1s6o s LYS 6 Cb -0.15 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1s6o s LYS 6 CO 0.06 0.66 -0.04 0.00 -0.92 0.00 0.00 175.35 175.11 1s6o s MET 7 N -0.73 0.32 -0.14 1.68 0.23 0.11 -2.90 119.30 117.88 1s6o s MET 7 Ca 0.15 -0.50 -0.18 0.00 -1.03 0.00 0.00 55.69 54.13 1s6o s MET 7 Cb -0.12 -0.05 -0.04 0.00 -1.53 0.00 0.00 34.83 33.09 1s6o s MET 7 CO 0.04 -0.00 0.47 0.15 -2.03 0.00 0.00 175.02 173.65 1s6o s LYS 8 N -1.13 4.30 -0.65 3.16 -0.14 0.10 -0.51 119.74 124.87 1s6o s LYS 8 Ca -0.10 0.40 0.06 0.00 -1.36 0.00 0.00 55.97 54.97 1s6o s LYS 8 Cb -0.08 -3.47 0.23 0.00 -1.68 0.00 0.00 37.83 32.83 1s6o s LYS 8 CO -0.00 0.09 0.67 0.28 -0.76 0.00 0.00 175.35 175.62 1s6o n VAL 9 N 3.88 2.06 -1.39 3.17 0.31 0.16 -1.57 118.33 124.95 1s6o n VAL 9 Ca -0.07 -5.08 -0.29 0.00 -0.01 0.00 0.00 64.34 58.88 1s6o n VAL 9 Cb 0.51 -2.12 0.19 0.00 -0.91 0.00 0.00 33.84 31.52 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 -2.14 -0.01 0.00 5.55 0.41 -1.26 -4.35 118.70 116.90 1s6o s GLU 10 Ca 0.35 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.95 1s6o s GLU 10 Cb 0.09 -1.73 0.00 0.00 -1.78 0.00 0.00 34.13 30.71 1s6o s GLU 10 CO -0.06 -2.92 0.00 0.41 -0.49 0.00 0.00 175.26 172.20 1s6o n GLY 11 N -1.88 1.38 3.60 -1.39 0.00 -1.26 -4.65 105.19 100.99 1s6o n GLY 11 Ca 0.11 -0.05 -0.35 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 0.40 -3.74 1.61 2.81 -1.26 -5.04 117.12 111.89 1s6o n MET 12 Ca 0.00 0.19 -0.14 0.00 -1.81 0.00 0.00 57.70 55.94 1s6o n MET 12 Cb 0.00 -2.20 -0.15 0.00 -0.71 0.00 0.00 33.22 30.17 1s6o n MET 12 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1s6o s THR 13 N -1.90 -0.07 0.39 2.03 -4.23 -1.26 -5.10 115.64 105.50 1s6o s THR 13 Ca 0.72 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 1s6o s THR 13 Cb -0.33 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1s6o s THR 13 CO 0.52 0.08 0.00 0.00 -0.54 0.00 0.00 174.62 174.68 1s6o n HIS 15 N -4.20 1.13 0.00 0.00 1.44 -1.26 -4.31 115.22 108.01 1s6o n HIS 15 Ca -0.01 -1.95 0.00 0.00 -2.01 0.00 0.00 57.72 53.75 1s6o n HIS 15 Cb 0.65 -1.75 0.00 0.00 0.12 0.00 0.00 29.99 29.01 1s6o n HIS 15 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1s6o n SER 16 N 3.45 0.00 -3.62 4.39 3.41 -1.26 -4.71 113.62 115.27 1s6o n SER 16 Ca 0.49 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.69 1s6o n SER 16 Cb 0.37 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1s6o n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s6o n THR 18 N 5.43 0.00 -0.29 0.00 -2.24 -1.26 -4.78 114.28 111.14 1s6o n THR 18 Ca 0.51 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.36 1s6o n THR 18 Cb 0.37 -0.31 0.28 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.01 3.42 0.02 -1.90 0.38 113.55 116.29 1s6o h SER 19 Ca 0.00 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1s6o h SER 19 Cb 0.00 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 1s6o h SER 19 CO 0.00 0.50 -0.51 0.74 -1.14 0.00 0.00 176.83 176.42 1s6o h THR 20 N 0.92 0.03 -0.31 -2.27 2.02 -1.92 0.95 112.91 112.33 1s6o h THR 20 Ca 0.40 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.64 1s6o h THR 20 Cb 0.35 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 1s6o h THR 20 CO -0.17 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 176.10 1s6o h ILE 21 N -0.65 0.75 0.20 3.11 5.03 -0.74 0.37 117.51 125.58 1s6o h ILE 21 Ca 0.02 -0.02 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1s6o h ILE 21 Cb 0.71 0.68 -0.01 0.00 -3.03 0.00 0.00 36.82 35.17 1s6o h ILE 21 CO -0.36 0.01 -0.23 -0.33 -0.68 0.00 0.00 178.15 176.57 1s6o h GLU 22 N 0.07 -0.41 -0.39 2.37 5.08 -0.18 0.10 114.58 121.21 1s6o h GLU 22 Ca 0.15 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1s6o h GLU 22 Cb 0.21 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1s6o h GLU 22 CO -0.27 -0.27 -0.22 0.78 -1.00 0.00 0.00 179.01 178.03 1s6o h GLY 23 N -0.43 0.03 0.22 -3.84 0.00 -0.80 0.27 103.07 98.52 1s6o h GLY 23 Ca -0.02 0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.60 1s6o h GLY 23 CO -0.04 -0.20 -0.45 1.70 0.00 0.00 0.00 176.54 177.55 1s6o h LYS 24 N -0.15 -0.65 -0.46 4.80 1.63 -0.78 -2.52 116.57 118.44 1s6o h LYS 24 Ca 0.19 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 1s6o h LYS 24 Cb 0.45 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1s6o h LYS 24 CO -0.48 -0.43 0.22 0.82 -3.45 0.00 0.00 179.45 176.12 1s6o h ILE 25 N -0.67 1.16 -0.25 2.00 1.08 -0.31 -1.05 117.51 119.46 1s6o h ILE 25 Ca 0.02 -0.44 0.07 0.00 -0.39 0.00 0.00 64.86 64.12 1s6o h ILE 25 Cb 0.70 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1s6o h ILE 25 CO -0.26 0.18 0.46 1.23 -0.69 0.00 0.00 178.15 179.07 1s6o h GLY 26 N 0.75 0.00 1.06 5.37 0.00 -0.03 0.88 103.07 111.10 1s6o h GLY 26 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1s6o h GLY 26 CO -0.02 0.00 -0.81 1.70 0.00 0.00 0.00 176.54 177.41 1s6o h LYS 27 N 0.00 0.00 -6.74 4.80 3.64 -1.12 -3.47 116.57 113.69 1s6o h LYS 27 Ca 0.12 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.98 1s6o h LYS 27 Cb 1.04 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1s6o h LYS 27 CO -0.00 0.00 0.60 -0.51 -2.27 0.00 0.00 179.45 177.27 1s6o s LEU 28 N -4.75 4.45 -0.36 5.20 2.01 0.30 -4.90 118.68 120.63 1s6o s LEU 28 Ca 0.03 2.41 -0.34 0.00 0.01 0.00 0.00 54.13 56.24 1s6o s LEU 28 Cb 0.12 -3.62 -0.11 0.00 0.01 0.00 0.00 46.19 42.59 1s6o s LEU 28 CO 0.76 -0.43 2.22 0.00 1.01 0.00 0.00 176.35 179.90 1s6o n GLN 29 N 1.98 1.14 0.00 1.70 10.64 -1.26 -1.68 117.38 129.90 1s6o n GLN 29 Ca 0.03 0.30 0.00 0.00 -1.83 0.00 0.00 57.00 55.50 1s6o n GLN 29 Cb 0.43 -2.57 0.00 0.00 -0.86 0.00 0.00 30.24 27.25 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 6.44 1.66 3.77 2.61 0.00 -1.26 -3.88 105.19 114.53 1s6o n GLY 30 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.70 4.14 -0.04 1.61 1.01 -0.68 -3.50 120.40 121.24 1s6o s VAL 31 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1s6o s VAL 31 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1s6o s VAL 31 CO 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 175.10 175.33 1s6o n GLN 32 N 0.86 0.09 -3.84 2.72 1.13 0.30 -4.91 117.38 113.73 1s6o n GLN 32 Ca 0.01 0.02 -0.09 0.00 -1.94 0.00 0.00 57.00 54.99 1s6o n GLN 32 Cb 0.49 -1.06 -0.05 0.00 0.11 0.00 0.00 30.24 29.73 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 -2.07 1.35 -0.02 -1.09 6.06 -1.15 -5.00 118.95 117.03 1s6o s ARG 33 Ca -0.05 -1.01 -0.06 0.00 -2.50 0.00 0.00 55.73 52.11 1s6o s ARG 33 Cb 0.01 0.47 0.01 0.00 0.06 0.00 0.00 34.95 35.50 1s6o s ARG 33 CO 0.09 -0.55 0.13 -1.50 -2.50 0.00 0.00 175.30 170.96 1s6o s ILE 34 N -3.92 0.04 -0.30 4.11 2.07 -1.26 -0.79 121.20 121.15 1s6o s ILE 34 Ca 0.13 -0.37 -0.03 0.00 -1.41 0.00 0.00 60.65 58.97 1s6o s ILE 34 Cb 0.00 -0.31 0.11 0.00 0.13 0.00 0.00 42.46 42.39 1s6o s ILE 34 CO -0.00 -0.20 0.15 -0.54 -1.91 0.00 0.00 174.94 172.43 1s6o s LYS 35 N -0.67 0.26 -0.33 3.50 1.02 0.82 -4.99 119.74 119.35 1s6o s LYS 35 Ca -0.08 -0.69 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 1s6o s LYS 35 Cb -0.05 -1.19 -0.02 0.00 -0.52 0.00 0.00 37.83 36.06 1s6o s LYS 35 CO 0.01 -1.06 0.39 0.08 -0.92 0.00 0.00 175.35 173.85 1s6o s VAL 36 N 1.89 5.14 -0.94 3.17 1.01 -1.26 -0.27 120.40 129.14 1s6o s VAL 36 Ca 0.11 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1s6o s VAL 36 Cb -0.17 -3.82 0.23 0.00 0.00 0.00 0.00 36.38 32.62 1s6o s VAL 36 CO -0.29 -0.05 0.85 -0.55 0.00 0.00 0.00 175.10 175.05 1s6o s SER 37 N 1.72 6.25 0.27 3.32 0.15 -0.17 -4.92 113.70 120.32 1s6o s SER 37 Ca 0.14 -3.73 0.00 0.00 0.70 0.00 0.00 55.95 53.06 1s6o s SER 37 Cb -0.16 -1.96 0.53 0.00 -1.71 0.00 0.00 66.02 62.72 1s6o s SER 37 CO 0.12 -0.19 1.81 0.25 1.20 0.00 0.00 173.24 176.42 1s6o h LEU 38 N 6.09 0.79 -0.79 3.45 7.12 -1.91 0.26 115.31 130.32 1s6o h LEU 38 Ca 0.17 0.06 0.12 0.00 0.13 0.00 0.00 57.88 58.36 1s6o h LEU 38 Cb 0.82 -0.09 -0.13 0.00 -0.53 0.00 0.00 40.66 40.72 1s6o h LEU 38 CO 0.89 0.40 -0.40 0.44 -0.13 0.00 0.00 178.44 179.64 1s6o h ASP 39 N 0.86 -1.42 1.84 1.25 5.19 -1.91 -0.95 116.42 121.28 1s6o h ASP 39 Ca 0.48 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 57.16 1s6o h ASP 39 Cb 0.53 0.70 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1s6o h ASP 39 CO -0.29 -0.30 0.00 -1.13 -3.12 0.00 0.00 179.24 174.40 1s6o h ASN 40 N -0.10 0.00 0.00 6.45 -1.24 -1.06 -3.47 115.58 116.17 1s6o h ASN 40 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.27 1s6o h ASN 40 Cb 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1s6o h ASN 40 CO -0.83 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 175.31 1s6o n GLN 41 N -3.07 -0.35 -4.17 6.67 6.02 0.43 -5.00 117.38 117.92 1s6o n GLN 41 Ca 0.04 0.09 -0.29 0.00 -0.01 0.00 0.00 57.00 56.83 1s6o n GLN 41 Cb 0.49 -3.47 -0.08 0.00 1.02 0.00 0.00 30.24 28.20 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 -0.54 2.45 0.11 -1.09 2.12 -1.18 -0.67 118.70 119.90 1s6o s GLU 42 Ca 0.00 -0.97 0.03 0.00 0.36 0.00 0.00 54.97 54.40 1s6o s GLU 42 Cb 0.00 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 1s6o s GLU 42 CO 0.00 0.50 -0.09 0.00 -0.54 0.00 0.00 175.26 175.13 1s6o s ALA 43 N -1.47 1.14 -0.11 6.30 0.00 0.33 -1.00 121.76 126.95 1s6o s ALA 43 Ca 0.26 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 1s6o s ALA 43 Cb -0.11 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1s6o s ALA 43 CO 0.18 -0.11 -0.08 0.99 0.00 0.00 0.00 175.76 176.73 1s6o s THR 44 N -3.00 1.05 0.15 0.00 2.01 0.62 -0.71 115.64 115.77 1s6o s THR 44 Ca 0.10 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 61.85 1s6o s THR 44 Cb 0.01 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1s6o s THR 44 CO -0.01 0.37 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.62 1s6o s ILE 45 N 1.54 3.61 -0.24 1.82 1.01 -0.30 -0.13 121.20 128.52 1s6o s ILE 45 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1s6o s ILE 45 Cb -0.13 -2.78 0.04 0.00 0.01 0.00 0.00 42.46 39.59 1s6o s ILE 45 CO -0.07 -0.05 -0.11 0.54 0.00 0.00 0.00 174.94 175.26 1s6o s VAL 46 N -1.60 2.45 0.38 2.92 0.11 0.03 -0.75 120.40 123.95 1s6o s VAL 46 Ca 0.26 -1.20 -0.14 0.00 -2.93 0.00 0.00 61.98 57.96 1s6o s VAL 46 Cb -0.10 -2.26 0.05 0.00 -1.53 0.00 0.00 36.38 32.54 1s6o s VAL 46 CO 0.17 0.21 0.76 -0.72 -3.33 0.00 0.00 175.10 172.19 1s6o s TYR 47 N 1.25 0.21 0.01 1.54 1.13 -0.37 -0.54 117.35 120.58 1s6o s TYR 47 Ca -0.02 -0.85 0.01 0.00 -1.41 0.00 0.00 57.07 54.80 1s6o s TYR 47 Cb -0.17 0.76 -0.01 0.00 -1.10 0.00 0.00 41.96 41.44 1s6o s TYR 47 CO -0.07 -1.54 -0.04 1.14 -2.51 0.00 0.00 175.55 172.53 1s6o s GLN 48 N -2.35 0.29 -0.80 -3.49 -2.07 -1.23 -0.36 119.66 109.66 1s6o s GLN 48 Ca 0.17 -0.36 -0.23 0.00 -1.82 0.00 0.00 55.36 53.12 1s6o s GLN 48 Cb -0.05 -0.13 -0.16 0.00 -1.09 0.00 0.00 33.01 31.58 1s6o s GLN 48 CO 0.12 0.02 1.90 -0.35 -1.32 0.00 0.00 175.29 175.67 1s6o n PRO 49 N 2.32 1.41 0.13 9.60 -0.04 -1.26 -3.64 135.00 143.52 1s6o n PRO 49 Ca -0.18 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1s6o n PRO 49 Cb 0.57 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 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 8.94 -2.43 0.11 0.54 8.25 -1.26 -4.90 115.22 124.46 1s6o n HIS 50 Ca 0.49 0.50 0.08 0.00 -0.26 0.00 0.00 57.72 58.53 1s6o n HIS 50 Cb 0.42 0.93 0.01 0.00 1.12 0.00 0.00 29.99 32.46 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 -9.01 2.41 3.38 -1.83 -3.46 115.31 106.80 1s6o h LEU 51 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 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 0.18 -0.83 -0.51 0.09 0.00 0.00 178.44 177.37 1s6o s ILE 52 N -3.20 2.48 -0.14 1.22 1.10 -1.25 -4.75 121.20 116.65 1s6o s ILE 52 Ca 0.01 -1.75 0.01 0.00 -0.51 0.00 0.00 60.65 58.41 1s6o s ILE 52 Cb 0.08 -2.13 0.20 0.00 0.15 0.00 0.00 42.46 40.76 1s6o s ILE 52 CO 0.77 0.04 1.26 -1.20 -2.11 0.00 0.00 174.94 173.70 1s6o n SER 53 N 0.70 3.21 0.00 4.50 7.64 -1.26 -4.48 113.62 123.93 1s6o n SER 53 Ca -0.16 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1s6o n SER 53 Cb 0.54 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.02 0.00 0.12 0.44 3.14 -1.26 -3.79 118.33 117.00 1s6o n VAL 54 Ca 0.17 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.34 1s6o n VAL 54 Cb 0.84 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.47 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 0.42 -0.84 1.45 4.81 -1.96 -3.37 114.58 115.09 1s6o h GLU 55 Ca 0.00 -0.72 0.19 0.00 -0.13 0.00 0.00 59.36 58.70 1s6o h GLU 55 Cb 0.00 0.27 -0.15 0.00 0.63 0.00 0.00 28.75 29.49 1s6o h GLU 55 CO 0.00 1.33 -0.10 0.93 -0.73 0.00 0.00 179.01 180.44 1s6o h GLU 56 N 0.11 0.03 -0.91 1.92 4.39 -1.93 0.13 114.58 118.32 1s6o h GLU 56 Ca -0.23 -0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.62 1s6o h GLU 56 Cb 2.09 -0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 30.58 1s6o h GLU 56 CO 0.23 0.02 -0.37 1.98 -1.16 0.00 0.00 179.01 179.72 1s6o h MET 57 N 0.03 -0.03 -0.07 2.33 4.05 -1.91 0.67 114.93 120.00 1s6o h MET 57 Ca 0.44 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.81 1s6o h MET 57 Cb 0.75 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1s6o h MET 57 CO -0.81 -0.02 -0.17 -0.22 0.23 0.00 0.00 176.91 175.92 1s6o h LYS 58 N -0.03 0.24 -0.46 0.39 3.11 -1.06 -3.27 116.57 115.50 1s6o h LYS 58 Ca 0.33 -0.16 0.13 0.00 -2.81 0.00 0.00 60.65 58.14 1s6o h LYS 58 Cb 0.60 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.83 1s6o h LYS 58 CO -0.93 0.76 0.37 0.87 -2.81 0.00 0.00 179.45 177.72 1s6o h LYS 59 N -0.24 0.00 0.20 1.90 1.79 0.32 0.20 116.57 120.74 1s6o h LYS 59 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1s6o h LYS 59 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1s6o h LYS 59 CO 0.04 0.00 -0.10 1.96 -1.08 0.00 0.00 179.45 180.27 1s6o h GLN 60 N 0.00 -0.26 -0.72 3.15 1.08 -1.00 0.44 115.11 117.81 1s6o h GLN 60 Ca 0.22 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.47 1s6o h GLN 60 Cb 0.96 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.40 1s6o h GLN 60 CO -0.00 -0.07 0.44 0.82 -0.95 0.00 0.00 178.83 179.07 1s6o h ILE 61 N -0.39 1.07 0.07 2.54 5.03 -0.79 -0.44 117.51 124.60 1s6o h ILE 61 Ca -0.03 -0.29 0.02 0.00 -0.12 0.00 0.00 64.86 64.44 1s6o h ILE 61 Cb 0.30 0.14 -0.03 0.00 -3.03 0.00 0.00 36.82 34.20 1s6o h ILE 61 CO 0.04 0.16 -0.23 -0.33 -0.68 0.00 0.00 178.15 177.12 1s6o h GLU 62 N 0.85 -0.38 -0.18 2.37 5.08 -0.73 -2.55 114.58 119.04 1s6o h GLU 62 Ca 0.30 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 1s6o h GLU 62 Cb 0.06 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1s6o h GLU 62 CO -0.13 -0.25 0.17 0.00 -1.00 0.00 0.00 179.01 177.80 1s6o h ALA 63 N 0.42 1.94 -0.88 3.43 0.00 -0.34 -0.44 119.26 123.39 1s6o h ALA 63 Ca 0.04 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.19 1s6o h ALA 63 Cb 0.44 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1s6o h ALA 63 CO -0.16 -0.26 0.62 0.52 0.00 0.00 0.00 179.25 179.97 1s6o h MET 64 N 0.00 0.11 0.00 0.00 2.86 -0.65 -3.44 114.93 113.81 1s6o h MET 64 Ca 0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1s6o h MET 64 Cb 0.42 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1s6o h MET 64 CO -0.00 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.45 1s6o n GLY 65 N -1.65 0.67 3.01 8.32 0.00 -0.25 -5.13 105.19 110.15 1s6o n GLY 65 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.97 -0.42 -0.55 1.61 0.08 -0.72 -5.05 117.98 111.96 1s6o s PHE 66 Ca 0.00 0.96 -0.27 0.00 0.12 0.00 0.00 56.93 57.74 1s6o s PHE 66 Cb 0.00 -0.04 -0.02 0.00 -0.57 0.00 0.00 43.02 42.39 1s6o s PHE 66 CO 0.00 -0.35 1.87 -1.25 -0.10 0.00 0.00 175.22 175.39 1s6o s PRO 67 N 2.36 2.75 0.27 0.24 0.04 -1.26 -4.26 135.00 135.13 1s6o s PRO 67 Ca 0.01 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.86 1s6o s PRO 67 Cb -0.12 -4.35 -0.00 0.00 0.04 0.00 0.00 34.50 30.06 1s6o s PRO 67 CO -0.08 -2.57 0.03 0.00 0.04 0.00 0.00 177.00 174.41 1s6o n ALA 68 N 12.37 0.28 -3.57 8.56 0.00 -1.26 -4.23 120.51 132.67 1s6o n ALA 68 Ca 0.22 -1.26 -0.15 0.00 0.00 0.00 0.00 53.44 52.24 1s6o n ALA 68 Cb 0.51 0.75 -0.07 0.00 0.00 0.00 0.00 19.45 20.64 1s6o n ALA 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s6o s PHE 69 N -2.20 -0.71 -0.05 0.00 0.08 -0.61 -4.93 117.98 109.56 1s6o s PHE 69 Ca 0.05 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.51 1s6o s PHE 69 Cb 0.00 0.31 -0.05 0.00 -0.57 0.00 0.00 43.02 42.71 1s6o s PHE 69 CO 0.03 -0.45 0.38 0.54 -0.10 0.00 0.00 175.22 175.62 1s6o s VAL 70 N -0.23 5.13 0.00 -0.44 0.11 -1.26 -0.72 120.40 122.99 1s6o s VAL 70 Ca -0.04 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 1s6o s VAL 70 Cb -0.03 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1s6o s VAL 70 CO 0.04 0.51 0.02 0.29 -3.33 0.00 0.00 175.10 172.63 1s6o n LYS 71 N 2.43 0.00 -3.65 1.54 5.02 -1.14 -4.95 118.16 117.41 1s6o n LYS 71 Ca -0.13 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.01 1s6o n LYS 71 Cb 0.52 -0.43 -0.08 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.03 0.78 -0.11 1.97 2.47 -1.26 -5.12 119.74 118.44 1s6o s LYS 72 Ca 0.00 0.52 -0.04 0.00 -1.56 0.00 0.00 55.97 54.88 1s6o s LYS 72 Cb 0.00 0.37 0.06 0.00 -1.46 0.00 0.00 37.83 36.80 1s6o s LYS 72 CO 0.00 -0.16 0.23 -1.50 0.16 0.00 0.00 175.35 174.08 1s6o s ILE 73 N -0.33 -0.28 0.02 5.43 1.10 -1.26 -4.50 121.20 121.39 1s6o s ILE 73 Ca -0.05 0.26 -0.25 0.00 -0.51 0.00 0.00 60.65 60.10 1s6o s ILE 73 Cb -0.03 -0.39 0.06 0.00 0.15 0.00 0.00 42.46 42.25 1s6o s ILE 73 CO 0.04 0.11 0.57 -1.61 -2.11 0.00 0.00 174.94 171.94 1s6o s GLU 74 N 2.06 1.05 -0.12 3.50 0.41 -1.26 -5.04 118.70 119.30 1s6o s GLU 74 Ca -0.01 -0.08 -0.04 0.00 -0.41 0.00 0.00 54.97 54.42 1s6o s GLU 74 Cb -0.12 0.48 0.05 0.00 -1.78 0.00 0.00 34.13 32.77 1s6o s GLU 74 CO -0.08 -0.37 0.08 0.20 -0.49 0.00 0.00 175.26 174.60 1s6o s GLY 75 N -1.74 0.30 0.00 -1.39 0.00 -1.26 -4.90 107.32 98.33 1s6o s GLY 75 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1s6o s GLY 75 CO 0.02 1.60 0.00 -2.13 0.00 0.00 0.00 173.10 172.59