#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 h GLY 2 N 0.00 0.15 -1.20 2.72 0.00 -1.99 -3.41 103.07 99.34 1qo6 h GLY 2 Ca 0.00 -0.02 -0.45 0.00 0.00 0.00 0.00 47.33 46.86 1qo6 h GLY 2 CO 0.00 -0.03 -0.11 1.42 0.00 0.00 0.00 176.54 177.82 1qo6 n HIS 3 N -4.18 -1.04 -4.18 5.60 8.25 -1.26 -3.87 115.22 114.54 1qo6 n HIS 3 Ca 0.31 -0.06 -0.34 0.00 -0.26 0.00 0.00 57.72 57.37 1qo6 n HIS 3 Cb 1.42 -1.72 -0.15 0.00 1.12 0.00 0.00 29.99 30.66 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qo6 s VAL 5 N 1.18 2.28 0.00 0.00 -7.23 -1.26 0.25 120.40 115.62 1qo6 s VAL 5 Ca 0.02 -3.45 0.00 0.00 -1.81 0.00 0.00 61.98 56.73 1qo6 s VAL 5 Cb -0.14 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1qo6 s VAL 5 CO -0.05 -0.93 0.33 1.07 -0.31 0.00 0.00 175.10 175.22 1qo6 n THR 6 N 2.77 0.00 -0.01 5.32 5.66 -1.26 -4.51 114.28 122.24 1qo6 n THR 6 Ca 0.13 0.69 -0.03 0.00 -3.05 0.00 0.00 64.05 61.78 1qo6 n THR 6 Cb 0.35 -1.04 -0.01 0.00 -1.55 0.00 0.00 70.33 68.08 1qo6 n THR 6 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1qo6 n ASP 7 N -0.81 0.97 0.00 1.09 5.68 -1.26 -5.04 116.55 117.18 1qo6 n ASP 7 Ca 0.00 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1qo6 n ASP 7 Cb 0.00 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1qo6 n SER 8 N -3.44 0.00 0.00 -1.12 2.88 -1.26 -5.03 113.62 105.65 1qo6 n SER 8 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1qo6 n SER 8 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qo6 n GLY 9 N 0.00 0.00 2.56 0.46 0.00 -1.26 -5.00 105.19 101.96 1qo6 n GLY 9 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1qo6 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 10 N -1.39 0.13 -1.21 1.61 1.01 -1.26 -5.06 120.40 114.23 1qo6 s VAL 10 Ca 0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 1qo6 s VAL 10 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1qo6 s VAL 10 CO 0.00 -0.76 1.90 -0.69 0.00 0.00 0.00 175.10 175.55 1qo6 s VAL 11 N 1.86 3.65 0.37 2.92 1.01 -1.26 -4.26 120.40 124.68 1qo6 s VAL 11 Ca 0.10 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1qo6 s VAL 11 Cb -0.17 -4.68 0.09 0.00 0.00 0.00 0.00 36.38 31.62 1qo6 s VAL 11 CO -0.30 -1.17 0.26 -1.22 0.00 0.00 0.00 175.10 172.66 1qo6 n TYR 12 N 13.33 -2.79 -3.82 5.22 4.01 0.70 -4.77 117.16 129.03 1qo6 n TYR 12 Ca 0.45 -0.24 -0.13 0.00 -0.16 0.00 0.00 57.90 57.83 1qo6 n TYR 12 Cb 0.46 -0.32 -0.14 0.00 -0.31 0.00 0.00 39.34 39.03 1qo6 n TYR 12 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1qo6 s SER 13 N -2.29 -0.04 -0.59 7.72 0.01 -1.26 -1.56 113.70 115.68 1qo6 s SER 13 Ca 0.18 0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.52 1qo6 s SER 13 Cb -0.03 0.10 -0.20 0.00 0.21 0.00 0.00 66.02 66.10 1qo6 s SER 13 CO 0.15 -0.06 1.37 0.55 0.41 0.00 0.00 173.24 175.66 1qo6 n VAL 14 N 3.40 0.00 0.00 3.43 3.14 -1.25 0.20 118.33 127.24 1qo6 n VAL 14 Ca -0.17 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1qo6 n VAL 14 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1qo6 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qo6 n GLY 15 N 3.69 0.99 0.07 7.55 0.00 -0.47 -5.00 105.19 112.02 1qo6 n GLY 15 Ca 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.36 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qo6 n MET 16 N 0.00 1.41 -1.48 1.61 2.00 0.13 -5.05 117.12 115.75 1qo6 n MET 16 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 57.70 57.72 1qo6 n MET 16 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 33.22 31.81 1qo6 n MET 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1qo6 n GLN 17 N -2.53 -3.41 -3.47 0.03 6.02 -1.26 -5.00 117.38 107.76 1qo6 n GLN 17 Ca -0.23 2.68 0.01 0.00 -0.01 0.00 0.00 57.00 59.44 1qo6 n GLN 17 Cb 0.96 -3.53 0.01 0.00 1.02 0.00 0.00 30.24 28.70 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1qo6 n TRP 18 N -2.93 -0.62 -3.99 1.08 2.14 -0.52 -4.99 117.44 107.61 1qo6 n TRP 18 Ca -0.02 -0.71 -0.33 0.00 2.07 0.00 0.00 57.50 58.51 1qo6 n TRP 18 Cb 0.46 0.33 -0.14 0.00 -0.81 0.00 0.00 31.31 31.15 1qo6 n TRP 18 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1qo6 s LEU 19 N 0.00 4.19 0.65 5.67 2.01 -1.26 -1.15 118.68 128.79 1qo6 s LEU 19 Ca 0.22 -1.71 -0.05 0.00 0.01 0.00 0.00 54.13 52.60 1qo6 s LEU 19 Cb -0.01 -1.64 0.05 0.00 0.01 0.00 0.00 46.19 44.60 1qo6 s LEU 19 CO 0.01 -0.31 0.95 -1.59 1.01 0.00 0.00 176.35 176.42 1qo6 s LYS 20 N 1.07 2.36 -0.03 1.70 -2.85 0.73 -4.86 119.74 117.86 1qo6 s LYS 20 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 1qo6 s LYS 20 Cb -0.20 -2.26 0.03 0.00 -2.06 0.00 0.00 37.83 33.34 1qo6 s LYS 20 CO -0.05 -1.05 0.01 0.95 0.10 0.00 0.00 175.35 175.30 1qo6 s THR 21 N -3.10 0.12 -0.62 3.79 -4.23 -1.26 -0.32 115.64 110.01 1qo6 s THR 21 Ca 0.59 0.12 0.25 0.00 -1.18 0.00 0.00 61.69 61.46 1qo6 s THR 21 Cb -0.11 -0.22 0.31 0.00 1.34 0.00 0.00 72.50 73.82 1qo6 s THR 21 CO 0.43 0.13 1.72 1.56 -0.54 0.00 0.00 174.62 177.92 1qo6 h GLN 22 N 7.25 0.00 0.00 3.99 4.20 -1.90 -3.47 115.11 125.18 1qo6 h GLN 22 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1qo6 h GLN 22 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1qo6 h GLN 22 CO 0.48 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.05 1qo6 n GLY 23 N 1.20 0.85 0.00 3.46 0.00 -1.26 -4.88 105.19 104.56 1qo6 n GLY 23 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1qo6 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 24 N 0.00 4.87 -2.59 1.61 3.02 -1.26 -5.09 115.26 115.82 1qo6 n ASN 24 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1qo6 n ASN 24 Cb 0.00 0.67 -0.04 0.00 -0.61 0.00 0.00 39.78 39.80 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qo6 n LYS 25 N -1.78 0.69 -4.26 3.52 4.01 -1.26 -5.17 118.16 113.91 1qo6 n LYS 25 Ca 0.00 -1.71 -0.27 0.00 -0.51 0.00 0.00 58.31 55.83 1qo6 n LYS 25 Cb 0.31 0.99 -0.09 0.00 -0.51 0.00 0.00 35.03 35.73 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1qo6 s GLN 26 N -2.76 2.18 -0.25 1.97 -0.21 -1.26 -3.22 119.66 116.11 1qo6 s GLN 26 Ca 0.11 -1.22 -0.22 0.00 0.02 0.00 0.00 55.36 54.06 1qo6 s GLN 26 Cb 0.01 -2.23 0.07 0.00 1.00 0.00 0.00 33.01 31.85 1qo6 s GLN 26 CO 0.08 0.44 0.66 1.41 -2.12 0.00 0.00 175.29 175.76 1qo6 s MET 27 N -2.88 0.76 -0.31 2.91 1.75 0.56 -3.95 119.30 118.13 1qo6 s MET 27 Ca 0.26 0.93 -0.22 0.00 -1.25 0.00 0.00 55.69 55.41 1qo6 s MET 27 Cb -0.09 0.35 -0.00 0.00 2.84 0.00 0.00 34.83 37.93 1qo6 s MET 27 CO 0.16 -0.10 0.73 -1.17 -0.65 0.00 0.00 175.02 174.00 1qo6 s LEU 28 N 0.46 4.12 -0.09 4.11 2.96 -0.42 0.26 118.68 130.08 1qo6 s LEU 28 Ca -0.01 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1qo6 s LEU 28 Cb -0.05 -2.98 -0.02 0.00 0.50 0.00 0.00 46.19 43.65 1qo6 s LEU 28 CO -0.01 -0.58 -0.12 0.00 -1.32 0.00 0.00 176.35 174.32 1qo6 s THR 30 N -0.23 1.72 -0.31 0.00 2.01 0.33 -1.43 115.64 117.74 1qo6 s THR 30 Ca 0.01 -2.12 0.04 0.00 0.31 0.00 0.00 61.69 59.92 1qo6 s THR 30 Cb -0.13 -1.97 0.08 0.00 0.01 0.00 0.00 72.50 70.49 1qo6 s THR 30 CO 0.03 -0.54 -0.01 0.00 -0.69 0.00 0.00 174.62 173.41 1qo6 n LEU 32 N 4.32 0.00 0.00 0.00 -0.00 -1.11 -1.37 117.00 118.84 1qo6 n LEU 32 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1qo6 n LEU 32 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1qo6 n LEU 32 CO 0.22 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 1qo6 n GLY 33 N 3.72 0.00 0.13 1.47 0.00 -1.26 -4.45 105.19 104.80 1qo6 n GLY 33 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1qo6 n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qo6 h ASN 34 N 0.00 0.00 0.00 1.61 -1.07 -2.00 -3.49 115.58 110.63 1qo6 h ASN 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1qo6 h ASN 34 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1qo6 h ASN 34 CO 0.00 0.64 0.00 0.61 0.07 0.00 0.00 177.43 178.75 1qo6 n GLY 35 N 0.59 0.99 2.79 9.14 0.00 -1.26 -5.15 105.19 112.28 1qo6 n GLY 35 Ca -0.00 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 1qo6 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 36 N 1.48 0.09 -0.00 1.61 1.01 -1.26 -2.74 120.40 120.58 1qo6 s VAL 36 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1qo6 s VAL 36 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1qo6 s VAL 36 CO 0.00 0.14 -0.22 -0.55 0.00 0.00 0.00 175.10 174.47 1qo6 s SER 37 N 1.18 2.59 0.02 3.32 0.15 0.11 -4.94 113.70 116.14 1qo6 s SER 37 Ca -0.08 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.17 1qo6 s SER 37 Cb -0.13 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.89 1qo6 s SER 37 CO -0.02 0.25 -0.09 0.00 1.20 0.00 0.00 173.24 174.58 1qo6 s GLN 39 N -0.88 0.48 -0.39 0.00 -0.21 0.11 -4.93 119.66 113.84 1qo6 s GLN 39 Ca -0.02 -0.79 -0.36 0.00 0.02 0.00 0.00 55.36 54.20 1qo6 s GLN 39 Cb -0.06 -0.08 -0.16 0.00 1.00 0.00 0.00 33.01 33.71 1qo6 s GLN 39 CO 0.00 -0.01 1.41 0.39 -2.12 0.00 0.00 175.29 174.96 1qo6 n GLU 40 N 1.26 0.00 -0.26 2.91 1.02 -1.26 -1.30 120.64 123.00 1qo6 n GLU 40 Ca -0.22 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.88 1qo6 n GLU 40 Cb 0.56 -1.18 0.11 0.00 -0.02 0.00 0.00 31.44 30.90 1qo6 n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qo6 h THR 41 N 4.47 1.25 -1.21 2.62 1.03 -1.86 -3.42 112.91 115.80 1qo6 h THR 41 Ca -0.26 -0.77 0.00 0.00 -0.01 0.00 0.00 66.41 65.37 1qo6 h THR 41 Cb 1.10 0.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.50 1qo6 h THR 41 CO 0.80 0.32 0.00 0.00 -0.01 0.00 0.00 175.52 176.63 1qo6 n ALA 42 N -2.44 -1.49 -0.03 0.00 0.00 -1.26 -4.69 120.51 110.59 1qo6 n ALA 42 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1qo6 n ALA 42 Cb 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qo6 n VAL 43 N 1.08 0.42 0.00 0.00 0.24 -1.26 -4.52 118.33 114.29 1qo6 n VAL 43 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1qo6 n VAL 43 Cb 0.00 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 1qo6 n VAL 43 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1qo6 n THR 44 N -2.19 0.00 -4.88 3.34 5.66 -1.26 -4.72 114.28 110.23 1qo6 n THR 44 Ca -0.11 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.59 1qo6 n THR 44 Cb 0.62 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.26 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qo6 s GLN 45 N 0.00 1.89 -0.09 1.09 -0.21 -1.26 -4.95 119.66 116.13 1qo6 s GLN 45 Ca 0.00 -1.07 -0.03 0.00 0.02 0.00 0.00 55.36 54.28 1qo6 s GLN 45 Cb 0.00 -2.03 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 1qo6 s GLN 45 CO 0.00 0.52 0.03 0.95 -2.12 0.00 0.00 175.29 174.67 1qo6 s THR 46 N -0.82 4.55 -0.03 -0.19 -4.23 -1.26 0.22 115.64 113.89 1qo6 s THR 46 Ca 0.12 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 1qo6 s THR 46 Cb -0.10 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.82 1qo6 s THR 46 CO 0.03 0.61 0.08 -0.72 -0.54 0.00 0.00 174.62 174.07 1qo6 s TYR 47 N -0.90 -0.08 0.00 3.99 -0.85 -1.25 -4.65 117.35 113.61 1qo6 s TYR 47 Ca 0.13 0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.89 1qo6 s TYR 47 Cb -0.11 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.25 1qo6 s TYR 47 CO 0.03 -0.04 0.00 0.41 -1.52 0.00 0.00 175.55 174.43 1qo6 n GLY 48 N 3.05 2.46 5.40 5.49 0.00 0.32 -3.79 105.19 118.12 1qo6 n GLY 48 Ca -0.12 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1qo6 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qo6 n GLY 49 N 0.00 1.05 0.01 -0.02 0.00 -1.26 -1.50 105.19 103.47 1qo6 n GLY 49 Ca 0.00 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1qo6 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 50 N 6.03 0.50 0.00 1.61 2.85 -0.76 -4.80 115.26 120.69 1qo6 n ASN 50 Ca 0.00 -0.10 -0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1qo6 n ASN 50 Cb 0.00 1.81 -0.00 0.00 1.24 0.00 0.00 39.78 42.83 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qo6 n SER 51 N -2.11 0.07 0.00 1.20 2.88 -1.13 -4.81 113.62 109.72 1qo6 n SER 51 Ca -0.03 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1qo6 n SER 51 Cb 0.50 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1qo6 n SER 51 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1qo6 n ASN 52 N -2.57 0.00 0.00 -3.46 5.15 -0.56 -4.95 115.26 108.87 1qo6 n ASN 52 Ca -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1qo6 n ASN 52 Cb 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qo6 n GLY 53 N 0.00 -0.22 3.89 8.20 0.00 -1.16 0.12 105.19 116.02 1qo6 n GLY 53 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1qo6 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qo6 s GLU 54 N 0.00 2.62 0.11 1.61 0.41 -1.26 -4.81 118.70 117.38 1qo6 s GLU 54 Ca 0.00 0.31 -0.30 0.00 -0.41 0.00 0.00 54.97 54.57 1qo6 s GLU 54 Cb 0.00 -2.03 -0.07 0.00 -1.78 0.00 0.00 34.13 30.25 1qo6 s GLU 54 CO 0.00 -1.15 1.23 -1.25 -0.49 0.00 0.00 175.26 173.60 1qo6 s PRO 55 N -5.38 4.43 0.50 0.39 0.04 -1.26 -4.82 135.00 128.91 1qo6 s PRO 55 Ca 0.59 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 63.25 1qo6 s PRO 55 Cb -0.11 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 1qo6 s PRO 55 CO 0.50 -0.23 1.39 0.00 0.04 0.00 0.00 177.00 178.70 1qo6 n VAL 57 N -0.66 3.70 -3.98 0.00 3.14 0.71 -4.92 118.33 116.32 1qo6 n VAL 57 Ca 0.08 -5.65 -0.22 0.00 -2.96 0.00 0.00 64.34 55.58 1qo6 n VAL 57 Cb 0.43 -1.49 -0.02 0.00 -1.06 0.00 0.00 33.84 31.69 1qo6 n VAL 57 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1qo6 s LEU 58 N -3.57 4.28 0.05 6.55 -0.00 -1.26 -3.83 118.68 120.89 1qo6 s LEU 58 Ca 0.46 0.06 -0.30 0.00 -0.00 0.00 0.00 54.13 54.35 1qo6 s LEU 58 Cb 0.25 -2.83 -0.04 0.00 -0.00 0.00 0.00 46.19 43.57 1qo6 s LEU 58 CO -0.12 -0.04 0.99 -2.16 -0.00 0.00 0.00 176.35 175.02 1qo6 s PRO 59 N -3.80 4.61 0.54 1.48 0.04 -1.26 -4.96 135.00 131.65 1qo6 s PRO 59 Ca 0.34 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.88 1qo6 s PRO 59 Cb -0.09 -3.41 0.03 0.00 0.04 0.00 0.00 34.50 31.07 1qo6 s PRO 59 CO 0.29 0.04 0.27 1.97 0.04 0.00 0.00 177.00 179.61 1qo6 n PHE 60 N 3.40 0.03 -4.05 0.56 1.16 -0.95 -4.87 117.46 112.75 1qo6 n PHE 60 Ca 0.05 -2.39 -0.33 0.00 -1.87 0.00 0.00 57.45 52.90 1qo6 n PHE 60 Cb 0.50 -0.41 -0.15 0.00 -1.61 0.00 0.00 39.48 37.81 1qo6 n PHE 60 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1qo6 s THR 61 N -2.77 2.42 -0.01 1.97 2.01 -1.26 -1.44 115.64 116.57 1qo6 s THR 61 Ca 0.20 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1qo6 s THR 61 Cb -0.02 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1qo6 s THR 61 CO 0.13 0.38 -0.03 -0.47 -0.69 0.00 0.00 174.62 173.94 1qo6 s TYR 62 N 1.30 0.31 0.00 4.92 5.04 -0.62 -4.78 117.35 123.52 1qo6 s TYR 62 Ca 0.02 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 1qo6 s TYR 62 Cb -0.15 -0.24 0.00 0.00 0.35 0.00 0.00 41.96 41.92 1qo6 s TYR 62 CO -0.09 -0.03 0.00 -1.71 -1.34 0.00 0.00 175.55 172.38 1qo6 n ASN 63 N 3.22 -4.39 0.00 4.32 2.85 -1.26 -1.70 115.26 118.30 1qo6 n ASN 63 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1qo6 n ASN 63 Cb 0.57 -2.46 0.00 0.00 1.24 0.00 0.00 39.78 39.13 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qo6 n GLY 64 N -0.47 1.73 0.00 8.20 0.00 -1.26 -5.06 105.19 108.33 1qo6 n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qo6 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qo6 n ARG 65 N -1.51 3.40 -3.96 1.61 1.85 -0.69 -5.09 116.66 112.28 1qo6 n ARG 65 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qo6 s THR 66 N 1.84 0.10 -0.09 8.89 2.01 -1.26 -1.60 115.64 125.53 1qo6 s THR 66 Ca 0.00 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 1qo6 s THR 66 Cb 0.00 -0.27 0.04 0.00 0.01 0.00 0.00 72.50 72.28 1qo6 s THR 66 CO 0.00 -0.45 0.03 -0.36 -0.69 0.00 0.00 174.62 173.14 1qo6 s PHE 67 N -1.36 0.55 -1.99 4.92 0.40 -0.52 -4.95 117.98 115.02 1qo6 s PHE 67 Ca -0.15 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1qo6 s PHE 67 Cb -0.09 -0.76 0.02 0.00 0.51 0.00 0.00 43.02 42.70 1qo6 s PHE 67 CO -0.01 -0.36 1.01 0.66 0.70 0.00 0.00 175.22 177.23 1qo6 n TYR 68 N 5.18 0.03 -3.69 0.36 4.02 -1.26 -2.24 117.16 119.56 1qo6 n TYR 68 Ca -0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1qo6 n TYR 68 Cb 0.49 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.81 1qo6 n TYR 68 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1qo6 s SER 69 N -0.99 -0.08 0.76 7.72 0.01 -1.26 -4.59 113.70 115.27 1qo6 s SER 69 Ca 0.02 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 1qo6 s SER 69 Cb 0.01 0.26 -0.15 0.00 0.21 0.00 0.00 66.02 66.35 1qo6 s SER 69 CO 0.01 -0.49 -0.50 0.00 0.41 0.00 0.00 173.24 172.67 1qo6 s THR 71 N -1.94 0.00 -0.49 0.00 -1.32 -0.26 -4.84 115.64 106.79 1qo6 s THR 71 Ca 0.46 -0.99 0.06 0.00 -1.21 0.00 0.00 61.69 60.01 1qo6 s THR 71 Cb -0.31 -2.53 0.20 0.00 -1.51 0.00 0.00 72.50 68.36 1qo6 s THR 71 CO 0.73 0.00 0.47 0.35 -2.21 0.00 0.00 174.62 173.96 1qo6 n THR 72 N -0.51 -0.13 -0.60 5.08 -2.24 -1.26 -0.55 114.28 114.07 1qo6 n THR 72 Ca -0.07 -4.06 0.00 0.00 -2.27 0.00 0.00 64.05 57.65 1qo6 n THR 72 Cb 0.60 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qo6 n GLU 73 N 2.05 1.24 -1.42 -0.78 -0.58 -1.26 -4.83 120.64 115.06 1qo6 n GLU 73 Ca 0.26 -0.93 -0.04 0.00 -0.42 0.00 0.00 57.16 56.03 1qo6 n GLU 73 Cb 0.46 -0.71 -0.02 0.00 -0.57 0.00 0.00 31.44 30.60 1qo6 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qo6 n GLY 74 N -0.21 0.88 0.00 0.62 0.00 -1.26 -4.90 105.19 100.31 1qo6 n GLY 74 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1qo6 n GLY 74 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qo6 n ARG 75 N -0.16 3.28 -3.36 1.61 0.00 -1.26 -5.02 116.66 111.75 1qo6 n ARG 75 Ca -0.19 -0.07 -0.17 0.00 -0.00 0.00 0.00 57.85 57.42 1qo6 n ARG 75 Cb 0.82 -0.43 -0.05 0.00 -0.00 0.00 0.00 32.46 32.79 1qo6 n ARG 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qo6 n GLN 76 N -0.49 -0.94 0.06 2.89 10.64 -1.26 -4.52 117.38 123.76 1qo6 n GLN 76 Ca 0.00 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1qo6 n GLN 76 Cb 0.02 -1.99 0.00 0.00 -0.86 0.00 0.00 30.24 27.42 1qo6 n GLN 76 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1qo6 n ASP 77 N -1.24 -0.48 0.00 2.61 5.68 -1.26 -5.07 116.55 116.78 1qo6 n ASP 77 Ca -0.12 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1qo6 n ASP 77 Cb 0.33 0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qo6 n GLY 78 N 0.65 0.75 3.27 6.12 0.00 -1.26 -5.15 105.19 109.56 1qo6 n GLY 78 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qo6 n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 79 N -0.75 2.42 0.54 1.61 3.76 -1.26 -5.07 115.29 116.54 1qo6 s HIS 79 Ca 0.00 -0.68 -0.20 0.00 -0.15 0.00 0.00 55.06 54.03 1qo6 s HIS 79 Cb 0.00 -1.58 -0.06 0.00 1.11 0.00 0.00 32.58 32.05 1qo6 s HIS 79 CO 0.00 -0.19 1.14 -0.51 -0.85 0.00 0.00 174.74 174.33 1qo6 s LEU 80 N -0.23 3.77 0.16 0.89 1.02 -1.25 -4.62 118.68 118.42 1qo6 s LEU 80 Ca -0.01 2.20 -0.17 0.00 0.02 0.00 0.00 54.13 56.17 1qo6 s LEU 80 Cb -0.13 -4.54 0.03 0.00 0.02 0.00 0.00 46.19 41.57 1qo6 s LEU 80 CO 0.03 -1.20 0.47 -1.66 0.02 0.00 0.00 176.35 174.00 1qo6 s TRP 81 N -1.74 -0.18 0.13 0.29 1.48 0.28 0.13 118.94 119.34 1qo6 s TRP 81 Ca 0.72 -0.14 0.02 0.00 -1.06 0.00 0.00 56.10 55.63 1qo6 s TRP 81 Cb -0.25 0.33 -0.01 0.00 -1.16 0.00 0.00 33.47 32.39 1qo6 s TRP 81 CO 0.28 -0.81 0.13 0.00 -4.06 0.00 0.00 176.95 172.50 1qo6 s SER 83 N -1.85 4.97 0.00 0.00 0.15 -1.26 -0.65 113.70 115.06 1qo6 s SER 83 Ca 0.13 0.06 0.30 0.00 0.70 0.00 0.00 55.95 57.14 1qo6 s SER 83 Cb 0.00 -1.38 1.48 0.00 -1.71 0.00 0.00 66.02 64.42 1qo6 s SER 83 CO 0.10 0.35 2.02 0.35 1.20 0.00 0.00 173.24 177.26 1qo6 n THR 84 N 2.29 0.00 -3.76 6.45 -2.24 -1.05 0.25 114.28 116.23 1qo6 n THR 84 Ca -0.18 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1qo6 n THR 84 Cb 0.53 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 1qo6 n THR 84 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qo6 s THR 85 N -2.51 0.00 0.00 4.28 -1.32 -1.26 -4.74 115.64 110.10 1qo6 s THR 85 Ca 0.30 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1qo6 s THR 85 Cb 0.20 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.32 1qo6 s THR 85 CO 0.46 0.00 0.94 -1.54 -2.21 0.00 0.00 174.62 172.27 1qo6 n SER 86 N -0.45 0.00 -4.58 8.08 3.41 -1.26 -3.86 113.62 114.97 1qo6 n SER 86 Ca -0.06 0.94 -0.27 0.00 -0.26 0.00 0.00 58.87 59.22 1qo6 n SER 86 Cb 0.60 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1qo6 n SER 86 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1qo6 s ASN 87 N -2.21 4.93 0.06 4.04 0.01 -1.26 -4.65 114.94 115.86 1qo6 s ASN 87 Ca 0.00 -1.53 -0.03 0.00 -0.71 0.00 0.00 52.86 50.59 1qo6 s ASN 87 Cb 0.00 -2.59 -0.27 0.00 0.41 0.00 0.00 41.25 38.80 1qo6 s ASN 87 CO 0.00 -3.16 1.08 0.22 -1.51 0.00 0.00 177.10 173.73 1qo6 h TYR 88 N 9.99 0.43 0.00 2.20 3.20 -1.93 -2.28 116.97 128.59 1qo6 h TYR 88 Ca 0.19 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1qo6 h TYR 88 Cb 0.95 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1qo6 h TYR 88 CO 1.20 1.27 0.00 0.39 -1.64 0.00 0.00 178.16 179.38 1qo6 n GLU 89 N -3.49 0.10 -0.09 1.82 1.02 -1.26 0.80 120.64 119.54 1qo6 n GLU 89 Ca -0.10 0.21 -0.18 0.00 -0.02 0.00 0.00 57.16 57.07 1qo6 n GLU 89 Cb 1.02 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.88 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1qo6 n GLN 90 N -1.39 0.39 0.12 3.49 -0.06 -1.20 -4.62 117.38 114.11 1qo6 n GLN 90 Ca 0.05 0.17 -0.01 0.00 -2.00 0.00 0.00 57.00 55.21 1qo6 n GLN 90 Cb 0.13 -1.16 0.07 0.00 -4.06 0.00 0.00 30.24 25.22 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1qo6 h ASP 91 N -0.67 0.00 -6.10 1.69 3.32 -1.40 -3.47 116.42 109.79 1qo6 h ASP 91 Ca -0.42 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.20 1qo6 h ASP 91 Cb 1.32 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.91 1qo6 h ASP 91 CO -0.25 0.66 -0.76 1.67 -1.72 0.00 0.00 179.24 178.83 1qo6 n GLN 92 N -3.43 -5.98 -3.95 3.56 7.27 0.24 -4.98 117.38 110.11 1qo6 n GLN 92 Ca 0.00 0.67 -0.30 0.00 0.07 0.00 0.00 57.00 57.45 1qo6 n GLN 92 Cb 0.73 -5.52 -0.16 0.00 2.41 0.00 0.00 30.24 27.70 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1qo6 s LYS 93 N -6.28 1.75 0.38 3.69 0.00 -1.26 -5.03 119.74 112.99 1qo6 s LYS 93 Ca 0.42 -0.76 0.05 0.00 0.00 0.00 0.00 55.97 55.68 1qo6 s LYS 93 Cb -0.20 -2.32 -0.07 0.00 0.00 0.00 0.00 37.83 35.24 1qo6 s LYS 93 CO 0.80 -0.46 0.03 1.52 0.00 0.00 0.00 175.35 177.24 1qo6 s TYR 94 N 1.48 2.24 0.04 1.78 -0.85 -1.26 -2.52 117.35 118.25 1qo6 s TYR 94 Ca -0.02 -0.82 0.02 0.00 -0.52 0.00 0.00 57.07 55.73 1qo6 s TYR 94 Cb -0.16 -1.55 -0.02 0.00 0.38 0.00 0.00 41.96 40.60 1qo6 s TYR 94 CO -0.08 0.24 -0.07 -1.54 -1.52 0.00 0.00 175.55 172.58 1qo6 s SER 95 N -3.62 0.76 0.98 -0.18 1.04 0.17 -1.83 113.70 111.03 1qo6 s SER 95 Ca 0.34 -0.56 -0.17 0.00 0.48 0.00 0.00 55.95 56.05 1qo6 s SER 95 Cb 0.09 0.05 0.22 0.00 0.10 0.00 0.00 66.02 66.48 1qo6 s SER 95 CO 0.16 -0.23 1.34 -0.36 0.98 0.00 0.00 173.24 175.14 1qo6 s PHE 96 N -1.48 1.40 -0.10 5.02 0.08 -1.25 0.19 117.98 121.84 1qo6 s PHE 96 Ca -0.10 0.26 -0.06 0.00 0.12 0.00 0.00 56.93 57.14 1qo6 s PHE 96 Cb -0.09 -4.21 0.04 0.00 -0.57 0.00 0.00 43.02 38.19 1qo6 s PHE 96 CO -0.00 -2.78 0.25 0.00 -0.10 0.00 0.00 175.22 172.59 1qo6 s THR 98 N 0.93 3.11 0.51 0.00 -4.23 0.13 -3.74 115.64 112.35 1qo6 s THR 98 Ca -0.07 0.59 0.19 0.00 -1.18 0.00 0.00 61.69 61.22 1qo6 s THR 98 Cb -0.08 -3.38 0.33 0.00 1.34 0.00 0.00 72.50 70.72 1qo6 s THR 98 CO -0.06 0.00 2.06 0.44 -0.54 0.00 0.00 174.62 176.52 1qo6 h ASP 99 N 8.06 0.08 -0.87 3.99 5.19 -1.95 -2.97 116.42 127.94 1qo6 h ASP 99 Ca -0.42 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.07 1qo6 h ASP 99 Cb 1.20 -0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.59 1qo6 h ASP 99 CO 0.92 0.05 -0.51 1.57 -3.12 0.00 0.00 179.24 178.15 1qo6 n HIS 100 N -4.46 -0.38 0.00 4.55 -0.00 -1.26 -5.15 115.22 108.52 1qo6 n HIS 100 Ca 0.04 1.09 0.00 0.00 0.46 0.00 0.00 57.72 59.31 1qo6 n HIS 100 Cb 0.34 -0.57 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43