#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 n GLY 2 N 0.00 3.91 3.68 -7.48 0.00 -1.26 -4.90 105.19 99.13 1qo6 n GLY 2 Ca 0.00 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 1qo6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 3 N -1.82 1.67 0.15 1.61 3.76 -1.26 -2.52 115.29 116.88 1qo6 s HIS 3 Ca 0.02 1.75 0.08 0.00 -0.15 0.00 0.00 55.06 56.76 1qo6 s HIS 3 Cb 0.00 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 30.23 1qo6 s HIS 3 CO 0.01 -2.87 -0.10 0.00 -0.85 0.00 0.00 174.74 170.94 1qo6 s VAL 5 N -1.49 -0.02 0.30 0.00 1.01 -1.26 0.27 120.40 119.20 1qo6 s VAL 5 Ca 0.23 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1qo6 s VAL 5 Cb -0.10 -0.47 0.12 0.00 0.00 0.00 0.00 36.38 35.92 1qo6 s VAL 5 CO 0.15 0.03 1.79 0.71 0.00 0.00 0.00 175.10 177.78 1qo6 h THR 6 N 5.32 1.23 0.00 3.92 1.35 -1.95 -3.46 112.91 119.32 1qo6 h THR 6 Ca -0.34 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1qo6 h THR 6 Cb 1.18 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1qo6 h THR 6 CO 0.33 0.34 0.00 -0.67 -0.25 0.00 0.00 175.52 175.26 1qo6 n ASP 7 N -4.21 0.00 0.00 5.36 2.03 -1.26 -5.04 116.55 113.43 1qo6 n ASP 7 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1qo6 n ASP 7 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1qo6 n SER 8 N 0.00 0.00 0.00 1.67 2.88 -1.26 -5.03 113.62 111.88 1qo6 n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qo6 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.11 3.18 0.46 0.00 -1.26 -5.07 105.19 102.39 1qo6 n GLY 9 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.40 -0.56 1.61 1.01 -1.26 -5.04 120.40 120.57 1qo6 s VAL 10 Ca 0.00 -2.76 -0.26 0.00 0.00 0.00 0.00 61.98 58.96 1qo6 s VAL 10 Cb 0.00 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1qo6 s VAL 10 CO 0.00 -0.93 1.06 -0.69 0.00 0.00 0.00 175.10 174.54 1qo6 s VAL 11 N 0.05 4.22 0.07 2.92 1.01 -1.26 -2.99 120.40 124.42 1qo6 s VAL 11 Ca 0.17 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.75 1qo6 s VAL 11 Cb -0.17 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.60 1qo6 s VAL 11 CO -0.05 -1.20 0.10 -1.22 0.00 0.00 0.00 175.10 172.72 1qo6 n TYR 12 N 7.89 -3.06 -4.13 5.22 4.01 0.75 -4.92 117.16 122.92 1qo6 n TYR 12 Ca 0.05 -0.22 -0.15 0.00 -0.16 0.00 0.00 57.90 57.42 1qo6 n TYR 12 Cb 0.48 -0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.41 1.09 -0.77 7.72 0.01 -1.26 -1.19 113.70 117.88 1qo6 s SER 13 Ca 0.07 -0.49 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 1qo6 s SER 13 Cb -0.00 -0.01 -0.23 0.00 0.21 0.00 0.00 66.02 65.98 1qo6 s SER 13 CO 0.04 -0.11 1.97 0.55 0.41 0.00 0.00 173.24 176.10 1qo6 n VAL 14 N 1.67 0.00 0.00 3.43 3.14 -1.05 0.23 118.33 125.75 1qo6 n VAL 14 Ca -0.21 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1qo6 n VAL 14 Cb 0.55 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 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 5.59 1.33 2.61 7.55 0.00 -0.52 -5.01 105.19 116.75 1qo6 n GLY 15 Ca 0.49 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1qo6 n MET 16 N -0.30 2.57 -0.95 1.61 0.00 0.62 -4.95 117.12 115.71 1qo6 n MET 16 Ca 0.00 -3.00 -0.36 0.00 -0.00 0.00 0.00 57.70 54.34 1qo6 n MET 16 Cb 0.00 -2.18 0.03 0.00 0.00 0.00 0.00 33.22 31.07 1qo6 n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qo6 n GLN 17 N -0.17 0.00 -0.15 2.12 10.64 -1.26 -4.64 117.38 123.92 1qo6 n GLN 17 Ca 0.52 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.69 1qo6 n GLN 17 Cb 0.42 -0.95 0.00 0.00 -0.86 0.00 0.00 30.24 28.85 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56 1qo6 n TRP 18 N -2.93 -0.10 -3.59 2.61 2.14 0.38 -4.96 117.44 110.98 1qo6 n TRP 18 Ca -0.02 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.32 1qo6 n TRP 18 Cb 0.64 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.98 1qo6 n TRP 18 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1qo6 s LEU 19 N 0.00 0.18 0.26 5.67 2.96 -1.26 -1.18 118.68 125.32 1qo6 s LEU 19 Ca 0.00 -0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.24 1qo6 s LEU 19 Cb 0.00 -0.05 -0.09 0.00 0.50 0.00 0.00 46.19 46.55 1qo6 s LEU 19 CO 0.00 -0.33 0.95 -0.75 -1.32 0.00 0.00 176.35 174.90 1qo6 s LYS 20 N 2.20 4.79 -0.01 1.98 2.47 0.64 -4.85 119.74 126.95 1qo6 s LYS 20 Ca 0.04 1.46 -0.30 0.00 -1.56 0.00 0.00 55.97 55.61 1qo6 s LYS 20 Cb -0.15 -3.17 0.11 0.00 -1.46 0.00 0.00 37.83 33.16 1qo6 s LYS 20 CO -0.09 0.45 1.29 -0.08 0.16 0.00 0.00 175.35 177.08 1qo6 s THR 21 N -1.28 0.00 0.00 3.43 -1.32 -1.26 -2.10 115.64 113.10 1qo6 s THR 21 Ca 0.43 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1qo6 s THR 21 Cb -0.25 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1qo6 s THR 21 CO 0.30 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.71 1qo6 n GLN 22 N -0.65 0.52 -0.10 7.08 6.02 -1.26 -4.91 117.38 124.07 1qo6 n GLN 22 Ca -0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.81 1qo6 n GLN 22 Cb 0.61 -0.70 -0.10 0.00 1.02 0.00 0.00 30.24 31.07 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qo6 n GLY 23 N 2.07 -0.32 0.00 1.08 0.00 -1.26 -5.00 105.19 101.75 1qo6 n GLY 23 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1qo6 n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 24 N -3.05 0.00 -3.71 1.61 2.85 -1.26 -5.15 115.26 106.55 1qo6 n ASN 24 Ca -0.35 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 53.98 1qo6 n ASN 24 Cb 0.89 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.83 1qo6 n ASN 24 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1qo6 s LYS 25 N 0.00 0.70 0.37 1.20 0.00 -1.26 -4.73 119.74 116.02 1qo6 s LYS 25 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 55.97 56.04 1qo6 s LYS 25 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 37.83 38.15 1qo6 s LYS 25 CO 0.00 -0.18 0.00 0.94 0.00 0.00 0.00 175.35 176.11 1qo6 n GLN 26 N 1.56 0.00 -3.63 1.78 7.27 -1.23 -4.67 117.38 118.46 1qo6 n GLN 26 Ca -0.19 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 56.82 1qo6 n GLN 26 Cb 0.56 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.16 1qo6 n GLN 26 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1qo6 s MET 27 N -2.00 0.29 -0.21 3.69 -1.94 -0.89 -3.86 119.30 114.38 1qo6 s MET 27 Ca 0.00 0.19 -0.21 0.00 -1.71 0.00 0.00 55.69 53.97 1qo6 s MET 27 Cb 0.00 0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.95 1qo6 s MET 27 CO 0.00 -0.07 0.63 -1.17 -0.01 0.00 0.00 175.02 174.41 1qo6 s LEU 28 N -0.46 4.13 -0.05 -0.03 2.96 -0.59 -0.26 118.68 124.38 1qo6 s LEU 28 Ca 0.05 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 54.74 1qo6 s LEU 28 Cb -0.03 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1qo6 s LEU 28 CO -0.07 -0.29 0.14 0.00 -1.32 0.00 0.00 176.35 174.81 1qo6 s THR 30 N -1.19 0.05 -0.34 0.00 2.01 0.60 0.14 115.64 116.91 1qo6 s THR 30 Ca 0.22 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 1qo6 s THR 30 Cb -0.12 -0.35 0.06 0.00 0.01 0.00 0.00 72.50 72.10 1qo6 s THR 30 CO 0.12 -0.21 0.09 0.00 -0.69 0.00 0.00 174.62 173.94 1qo6 n LEU 32 N 4.68 0.00 0.00 0.00 -0.00 -1.21 -1.43 117.00 119.04 1qo6 n LEU 32 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 1qo6 n LEU 32 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1qo6 n LEU 32 CO 0.30 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.30 1qo6 n GLY 33 N 3.47 0.02 0.08 1.47 0.00 -1.26 -4.32 105.19 104.65 1qo6 n GLY 33 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1qo6 n GLY 33 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qo6 h ASN 34 N 0.00 0.18 0.00 1.61 2.35 -1.98 -3.16 115.58 114.58 1qo6 h ASN 34 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1qo6 h ASN 34 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1qo6 h ASN 34 CO 0.00 1.17 0.00 0.61 -1.65 0.00 0.00 177.43 177.56 1qo6 n GLY 35 N 1.47 1.58 3.01 2.83 0.00 -1.26 -5.05 105.19 107.77 1qo6 n GLY 35 Ca -0.07 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 1.82 -0.46 0.14 1.61 1.01 -1.26 -3.32 120.40 119.94 1qo6 s VAL 36 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.27 1qo6 s VAL 36 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1qo6 s VAL 36 CO 0.00 0.05 -0.26 -0.55 0.00 0.00 0.00 175.10 174.34 1qo6 s SER 37 N 2.45 3.39 0.35 3.32 0.15 0.28 -4.90 113.70 118.75 1qo6 s SER 37 Ca 0.03 -0.76 0.02 0.00 0.70 0.00 0.00 55.95 55.94 1qo6 s SER 37 Cb -0.13 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.92 1qo6 s SER 37 CO -0.10 0.17 0.07 0.00 1.20 0.00 0.00 173.24 174.58 1qo6 s GLN 39 N -3.30 1.23 -0.00 0.00 -1.52 0.57 -4.91 119.66 111.73 1qo6 s GLN 39 Ca 0.10 -1.63 -0.04 0.00 -1.95 0.00 0.00 55.36 51.84 1qo6 s GLN 39 Cb 0.00 -0.25 -0.18 0.00 -0.22 0.00 0.00 33.01 32.36 1qo6 s GLN 39 CO 0.07 -0.20 2.60 -0.85 -0.25 0.00 0.00 175.29 176.66 1qo6 n GLU 40 N -0.33 1.35 0.00 2.91 0.28 -1.26 -1.54 120.64 122.05 1qo6 n GLU 40 Ca -0.04 -0.67 0.00 0.00 -0.16 0.00 0.00 57.16 56.29 1qo6 n GLU 40 Cb 0.64 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.68 1qo6 n GLU 40 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1qo6 n THR 41 N 2.67 0.00 0.00 3.84 -2.24 -1.25 -3.64 114.28 113.65 1qo6 n THR 41 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1qo6 n THR 41 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1qo6 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n ALA 42 N 0.00 0.00 -0.93 6.98 0.00 -1.26 -4.44 120.51 120.86 1qo6 n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qo6 n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1qo6 n VAL 43 N -0.75 0.00 0.00 0.00 3.14 -1.24 -4.19 118.33 115.29 1qo6 n VAL 43 Ca 0.00 0.88 0.00 0.00 -2.96 0.00 0.00 64.34 62.26 1qo6 n VAL 43 Cb 0.00 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1qo6 n THR 44 N -0.86 0.00 -0.13 1.55 -1.04 -1.26 -4.45 114.28 108.09 1qo6 n THR 44 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1qo6 n THR 44 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1qo6 n THR 44 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1qo6 h GLN 45 N 0.00 0.55 -2.93 -2.82 4.20 -1.94 -3.49 115.11 108.69 1qo6 h GLN 45 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1qo6 h GLN 45 Cb 0.00 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1qo6 h GLN 45 CO 0.00 0.42 -0.72 0.25 -0.67 0.00 0.00 178.83 178.11 1qo6 n THR 46 N -4.76 -4.15 -3.88 -0.54 -2.24 -1.26 -4.94 114.28 92.51 1qo6 n THR 46 Ca 0.00 1.81 -0.04 0.00 -2.27 0.00 0.00 64.05 63.55 1qo6 n THR 46 Cb 0.06 -2.53 0.02 0.00 -2.10 0.00 0.00 70.33 65.78 1qo6 n THR 46 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1qo6 s TYR 47 N -3.38 0.10 0.00 4.78 -0.85 -0.89 -4.59 117.35 112.52 1qo6 s TYR 47 Ca 0.00 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 55.98 1qo6 s TYR 47 Cb 0.00 0.74 0.00 0.00 0.38 0.00 0.00 41.96 43.08 1qo6 s TYR 47 CO 0.00 -1.08 0.00 0.41 -1.52 0.00 0.00 175.55 173.36 1qo6 n GLY 48 N -0.69 1.61 7.00 5.49 0.00 -1.21 -1.29 105.19 116.11 1qo6 n GLY 48 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.97 0.00 -0.02 0.00 -1.26 0.74 105.19 106.61 1qo6 n GLY 49 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 6.49 0.82 -0.09 1.61 4.05 0.11 -4.63 115.26 123.63 1qo6 n ASN 50 Ca 0.00 -0.47 0.03 0.00 0.45 0.00 0.00 54.58 54.59 1qo6 n ASN 50 Cb 0.00 1.02 0.04 0.00 1.23 0.00 0.00 39.78 42.07 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1qo6 n SER 51 N -1.15 1.44 -0.89 1.20 7.64 -0.31 -4.78 113.62 116.77 1qo6 n SER 51 Ca 0.00 -2.14 -0.12 0.00 1.01 0.00 0.00 58.87 57.63 1qo6 n SER 51 Cb 0.05 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 1qo6 n SER 51 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1qo6 n ASN 52 N -0.61 -5.18 -0.53 6.43 5.15 0.23 -2.87 115.26 117.87 1qo6 n ASN 52 Ca 0.05 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1qo6 n ASN 52 Cb 0.48 -3.70 0.00 0.00 -0.53 0.00 0.00 39.78 36.03 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 -0.51 0.47 3.87 8.20 0.00 -0.70 -3.33 105.19 113.19 1qo6 n GLY 53 Ca -0.12 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.65 2.08 -0.45 1.61 2.02 -1.14 -4.48 118.70 116.69 1qo6 s GLU 54 Ca 0.00 0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 1qo6 s GLU 54 Cb 0.00 -1.95 -0.10 0.00 0.10 0.00 0.00 34.13 32.19 1qo6 s GLU 54 CO 0.00 -1.55 2.34 -2.30 0.02 0.00 0.00 175.26 173.78 1qo6 n PRO 55 N -3.32 1.14 -0.81 0.39 -0.02 -1.26 -4.88 135.00 126.24 1qo6 n PRO 55 Ca 0.07 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 1qo6 n PRO 55 Cb 0.59 -2.88 0.11 0.00 -0.02 0.00 0.00 33.50 31.31 1qo6 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qo6 n VAL 57 N -3.87 0.68 -4.07 0.00 3.14 0.72 -4.84 118.33 110.08 1qo6 n VAL 57 Ca 0.01 -4.68 -0.22 0.00 -2.96 0.00 0.00 64.34 56.49 1qo6 n VAL 57 Cb 0.64 -1.41 -0.04 0.00 -1.06 0.00 0.00 33.84 31.97 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 -2.17 3.72 0.02 6.55 -0.00 -1.26 -3.62 118.68 121.92 1qo6 s LEU 58 Ca 0.40 -0.34 -0.30 0.00 -0.00 0.00 0.00 54.13 53.89 1qo6 s LEU 58 Cb 0.24 -2.27 -0.06 0.00 -0.00 0.00 0.00 46.19 44.10 1qo6 s LEU 58 CO -0.09 -0.10 1.34 -2.16 -0.00 0.00 0.00 176.35 175.34 1qo6 s PRO 59 N -3.86 4.32 0.48 1.48 0.04 -1.26 -4.92 135.00 131.29 1qo6 s PRO 59 Ca 0.34 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.36 1qo6 s PRO 59 Cb -0.07 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.99 1qo6 s PRO 59 CO 0.25 -0.48 0.38 -0.59 0.04 0.00 0.00 177.00 176.60 1qo6 s PHE 60 N 1.93 2.17 -0.14 0.56 -0.12 -0.98 -4.88 117.98 116.52 1qo6 s PHE 60 Ca 0.62 -0.67 0.02 0.00 -0.05 0.00 0.00 56.93 56.85 1qo6 s PHE 60 Cb -0.31 -2.03 0.01 0.00 -0.63 0.00 0.00 43.02 40.06 1qo6 s PHE 60 CO 0.27 -0.28 -0.21 0.99 -0.05 0.00 0.00 175.22 175.94 1qo6 s THR 61 N -2.63 1.97 -0.05 -4.49 2.01 -1.26 -2.01 115.64 109.19 1qo6 s THR 61 Ca 0.42 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 1qo6 s THR 61 Cb -0.02 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.77 1qo6 s THR 61 CO 0.25 0.53 0.09 -0.47 -0.69 0.00 0.00 174.62 174.33 1qo6 s TYR 62 N 0.87 -0.06 0.00 4.92 5.04 -0.85 -4.80 117.35 122.46 1qo6 s TYR 62 Ca -0.06 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.90 1qo6 s TYR 62 Cb -0.15 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 41.94 1qo6 s TYR 62 CO -0.03 -0.15 0.00 -1.71 -1.34 0.00 0.00 175.55 172.32 1qo6 n ASN 63 N 4.45 -1.77 0.00 4.32 2.85 -1.26 -2.14 115.26 121.71 1qo6 n ASN 63 Ca -0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 1qo6 n ASN 63 Cb 0.51 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 40.10 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 -1.67 0.65 0.00 8.20 0.00 -1.26 -5.08 105.19 106.03 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 -1.15 2.65 -4.00 1.61 1.85 -0.91 -5.09 116.66 111.61 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 1.16 0.14 -0.01 8.89 2.01 -1.26 -2.01 115.64 124.56 1qo6 s THR 66 Ca 0.00 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.89 1qo6 s THR 66 Cb 0.00 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.94 1qo6 s THR 66 CO 0.00 -0.62 -0.01 -0.36 -0.69 0.00 0.00 174.62 172.94 1qo6 s PHE 67 N -2.06 0.16 -0.89 4.92 0.40 -0.85 -4.96 117.98 114.71 1qo6 s PHE 67 Ca -0.10 -0.02 0.11 0.00 -0.60 0.00 0.00 56.93 56.32 1qo6 s PHE 67 Cb -0.06 -0.14 0.55 0.00 0.51 0.00 0.00 43.02 43.88 1qo6 s PHE 67 CO -0.03 -0.02 1.38 0.66 0.70 0.00 0.00 175.22 177.91 1qo6 n TYR 68 N 3.21 1.26 -3.82 0.36 4.01 -1.26 -2.33 117.16 118.59 1qo6 n TYR 68 Ca -0.15 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 1qo6 n TYR 68 Cb 0.58 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1qo6 n SER 69 N 0.60 0.00 -4.23 7.72 7.64 -1.26 -4.59 113.62 119.50 1qo6 n SER 69 Ca 0.19 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.71 1qo6 n SER 69 Cb 0.79 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 64.04 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qo6 s THR 71 N -2.04 0.00 -0.76 0.00 -1.32 0.19 -4.81 115.64 106.91 1qo6 s THR 71 Ca 0.52 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.04 1qo6 s THR 71 Cb -0.30 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 69.95 1qo6 s THR 71 CO 0.71 0.00 0.89 0.35 -2.21 0.00 0.00 174.62 174.36 1qo6 n THR 72 N 0.56 3.01 -0.22 5.08 -2.24 -1.26 -1.61 114.28 117.59 1qo6 n THR 72 Ca -0.07 -5.35 0.02 0.00 -2.27 0.00 0.00 64.05 56.38 1qo6 n THR 72 Cb 0.58 -2.12 0.03 0.00 -2.10 0.00 0.00 70.33 66.72 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 1.12 2.63 -2.67 -0.78 -0.58 -1.26 -4.86 120.64 114.24 1qo6 n GLU 73 Ca 0.28 -1.70 -0.05 0.00 -0.42 0.00 0.00 57.16 55.28 1qo6 n GLU 73 Cb 0.39 -1.09 0.08 0.00 -0.57 0.00 0.00 31.44 30.24 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 -0.67 -1.59 2.65 0.62 0.00 -1.26 -5.06 105.19 99.87 1qo6 n GLY 74 Ca 0.03 0.92 -0.20 0.00 0.00 0.00 0.00 46.02 46.77 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 1.45 0.66 -0.02 1.61 0.00 -1.26 -5.07 116.66 114.03 1qo6 n ARG 75 Ca 0.01 -2.73 0.08 0.00 -0.00 0.00 0.00 57.85 55.22 1qo6 n ARG 75 Cb 0.70 1.47 -0.16 0.00 -0.00 0.00 0.00 32.46 34.47 1qo6 n ARG 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1qo6 n GLN 76 N -0.73 0.66 0.00 2.89 6.02 -1.26 -4.88 117.38 120.09 1qo6 n GLN 76 Ca -0.05 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1qo6 n GLN 76 Cb 0.48 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1qo6 n ASP 77 N -2.33 0.00 0.00 1.08 2.03 -1.26 -5.08 116.55 110.99 1qo6 n ASP 77 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1qo6 n ASP 77 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qo6 n GLY 78 N 3.11 0.00 3.66 0.27 0.00 -1.26 -5.15 105.19 105.82 1qo6 n GLY 78 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.31 0.38 1.61 3.76 -1.26 -5.03 115.29 118.07 1qo6 s HIS 79 Ca 0.00 0.19 -0.25 0.00 -0.15 0.00 0.00 55.06 54.86 1qo6 s HIS 79 Cb 0.00 -2.21 -0.12 0.00 1.11 0.00 0.00 32.58 31.35 1qo6 s HIS 79 CO 0.00 0.11 0.84 1.28 -0.85 0.00 0.00 174.74 176.12 1qo6 n LEU 80 N 4.03 1.43 -3.89 0.89 4.32 -1.26 -4.75 117.00 117.77 1qo6 n LEU 80 Ca -0.16 1.03 -0.09 0.00 -0.02 0.00 0.00 56.01 56.77 1qo6 n LEU 80 Cb 0.52 -1.24 -0.07 0.00 -1.62 0.00 0.00 43.42 41.01 1qo6 n LEU 80 CO 0.35 -1.99 -0.02 -1.66 -1.22 0.00 0.00 177.39 172.86 1qo6 s TRP 81 N -1.28 0.24 0.27 -1.77 1.48 -0.63 0.58 118.94 117.83 1qo6 s TRP 81 Ca 0.62 -0.62 -0.03 0.00 -1.06 0.00 0.00 56.10 55.01 1qo6 s TRP 81 Cb -0.62 -0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 31.66 1qo6 s TRP 81 CO 0.58 -0.67 0.34 0.00 -4.06 0.00 0.00 176.95 173.15 1qo6 s SER 83 N -3.18 6.54 0.24 0.00 0.15 -1.26 -0.35 113.70 115.84 1qo6 s SER 83 Ca 0.33 0.63 0.22 0.00 0.70 0.00 0.00 55.95 57.83 1qo6 s SER 83 Cb 0.02 -2.12 0.06 0.00 -1.71 0.00 0.00 66.02 62.27 1qo6 s SER 83 CO 0.16 0.31 1.15 0.71 1.20 0.00 0.00 173.24 176.77 1qo6 h THR 84 N 3.45 0.04 -4.24 6.45 1.35 -1.74 2.12 112.91 120.34 1qo6 h THR 84 Ca -0.52 -1.07 -0.13 0.00 -0.55 0.00 0.00 66.41 64.15 1qo6 h THR 84 Cb 1.21 1.63 -0.15 0.00 -1.73 0.00 0.00 68.15 69.11 1qo6 h THR 84 CO 0.63 0.02 -0.68 0.28 -0.25 0.00 0.00 175.52 175.52 1qo6 s THR 85 N -3.31 0.23 0.06 6.82 -1.32 -1.26 -4.50 115.64 112.36 1qo6 s THR 85 Ca 0.01 -1.82 -0.22 0.00 -1.21 0.00 0.00 61.69 58.45 1qo6 s THR 85 Cb 0.09 -1.56 -0.10 0.00 -1.51 0.00 0.00 72.50 69.41 1qo6 s THR 85 CO 0.77 -0.96 1.35 -1.28 -2.21 0.00 0.00 174.62 172.29 1qo6 h SER 86 N 3.12 -0.96 -0.91 8.08 0.87 -1.92 -3.31 113.55 118.52 1qo6 h SER 86 Ca -0.34 0.09 -0.57 0.00 -1.23 0.00 0.00 61.79 59.75 1qo6 h SER 86 Cb 1.15 0.34 -0.08 0.00 -0.44 0.00 0.00 62.40 63.36 1qo6 h SER 86 CO 0.65 -0.38 1.61 0.21 -0.53 0.00 0.00 176.83 178.40 1qo6 s ASN 87 N -3.73 6.31 0.19 6.23 3.84 -1.26 -4.70 114.94 121.82 1qo6 s ASN 87 Ca -0.11 -1.73 0.11 0.00 0.21 0.00 0.00 52.86 51.34 1qo6 s ASN 87 Cb 0.03 -2.57 -0.09 0.00 -0.55 0.00 0.00 41.25 38.07 1qo6 s ASN 87 CO 0.38 -1.69 1.35 0.22 -2.79 0.00 0.00 177.10 174.57 1qo6 h TYR 88 N 9.20 0.00 0.00 0.43 5.03 -1.89 -2.46 116.97 127.28 1qo6 h TYR 88 Ca 0.28 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.59 1qo6 h TYR 88 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.23 1qo6 h TYR 88 CO 1.32 0.78 0.00 0.93 -1.32 0.00 0.00 178.16 179.87 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 4.39 -1.87 0.62 114.58 119.53 1qo6 h GLU 89 Ca -0.01 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.31 1qo6 h GLU 89 Cb 1.60 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.20 1qo6 h GLU 89 CO 0.10 0.00 -2.10 0.00 -1.16 0.00 0.00 179.01 175.85 1qo6 n GLN 90 N -2.79 0.58 -0.04 2.33 10.64 -1.20 -4.65 117.38 122.25 1qo6 n GLN 90 Ca 0.01 0.36 -0.15 0.00 -1.83 0.00 0.00 57.00 55.39 1qo6 n GLN 90 Cb 0.30 -1.57 -0.13 0.00 -0.86 0.00 0.00 30.24 27.98 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1qo6 h ASP 91 N -1.00 0.12 -3.56 2.61 3.32 -1.48 -3.49 116.42 112.94 1qo6 h ASP 91 Ca -0.58 -0.92 -0.16 0.00 0.02 0.00 0.00 57.03 55.39 1qo6 h ASP 91 Cb 1.50 -0.04 0.07 0.00 0.22 0.00 0.00 39.33 41.08 1qo6 h ASP 91 CO -0.35 1.04 -0.35 1.67 -1.72 0.00 0.00 179.24 179.53 1qo6 n GLN 92 N -4.52 -3.30 -3.95 3.56 -0.06 0.22 -5.04 117.38 104.29 1qo6 n GLN 92 Ca -0.11 0.39 -0.28 0.00 -2.00 0.00 0.00 57.00 55.00 1qo6 n GLN 92 Cb 0.53 -4.08 -0.17 0.00 -4.06 0.00 0.00 30.24 22.47 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1qo6 s LYS 93 N -4.95 1.83 0.44 3.69 0.00 -1.26 -5.09 119.74 114.40 1qo6 s LYS 93 Ca 0.09 -0.42 0.03 0.00 0.00 0.00 0.00 55.97 55.67 1qo6 s LYS 93 Cb -0.04 -1.87 -0.02 0.00 0.00 0.00 0.00 37.83 35.91 1qo6 s LYS 93 CO 0.34 -0.28 0.11 1.52 0.00 0.00 0.00 175.35 177.04 1qo6 s TYR 94 N 1.60 1.79 0.15 1.78 -0.85 -1.26 -2.51 117.35 118.05 1qo6 s TYR 94 Ca 0.04 -1.24 0.01 0.00 -0.52 0.00 0.00 57.07 55.36 1qo6 s TYR 94 Cb -0.13 -1.25 -0.04 0.00 0.38 0.00 0.00 41.96 40.92 1qo6 s TYR 94 CO -0.09 -0.21 0.02 -1.54 -1.52 0.00 0.00 175.55 172.20 1qo6 s SER 95 N -3.68 0.89 0.41 -0.18 1.04 0.53 0.07 113.70 112.79 1qo6 s SER 95 Ca 0.19 -1.17 0.05 0.00 0.48 0.00 0.00 55.95 55.49 1qo6 s SER 95 Cb 0.02 0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.38 1qo6 s SER 95 CO 0.12 -0.62 0.52 0.49 0.98 0.00 0.00 173.24 174.74 1qo6 n PHE 96 N -0.17 -2.68 -3.68 5.02 3.72 -0.41 -0.07 117.46 119.19 1qo6 n PHE 96 Ca -0.07 -1.26 -0.14 0.00 -0.05 0.00 0.00 57.45 55.93 1qo6 n PHE 96 Cb 0.63 -0.36 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 n THR 98 N 0.91 0.00 0.00 0.00 -2.24 -1.26 -4.04 114.28 107.65 1qo6 n THR 98 Ca -0.20 1.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.66 1qo6 n THR 98 Cb 0.58 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 1qo6 n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qo6 n ASP 99 N -0.91 0.00 0.00 3.42 9.92 -1.26 -4.75 116.55 122.97 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1qo6 n HIS 100 N 0.00 0.00 -1.36 1.24 -0.00 -1.26 -5.12 115.22 108.72 1qo6 n HIS 100 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1qo6 n HIS 100 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05