#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 s GLY 2 N 0.00 0.32 0.37 2.98 0.00 -1.26 -5.14 107.32 104.59 1qo6 s GLY 2 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.15 1qo6 s GLY 2 CO 0.00 0.64 -0.02 0.30 0.00 0.00 0.00 173.10 174.02 1qo6 s HIS 3 N -2.14 2.49 0.17 1.90 3.76 -1.26 -2.63 115.29 117.57 1qo6 s HIS 3 Ca 0.18 -0.54 0.08 0.00 -0.15 0.00 0.00 55.06 54.62 1qo6 s HIS 3 Cb -0.04 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 1qo6 s HIS 3 CO 0.10 0.48 -0.04 0.00 -0.85 0.00 0.00 174.74 174.43 1qo6 s VAL 5 N -1.67 0.08 -0.12 0.00 1.01 -1.26 0.26 120.40 118.71 1qo6 s VAL 5 Ca 0.26 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 1qo6 s VAL 5 Cb -0.09 -0.62 -0.27 0.00 0.00 0.00 0.00 36.38 35.41 1qo6 s VAL 5 CO 0.17 -0.34 0.66 0.71 0.00 0.00 0.00 175.10 176.30 1qo6 h THR 6 N 3.90 1.40 0.00 3.92 1.35 -1.97 -3.48 112.91 118.03 1qo6 h THR 6 Ca -0.30 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 1qo6 h THR 6 Cb 1.19 2.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.60 1qo6 h THR 6 CO 0.42 0.61 0.00 -0.67 -0.25 0.00 0.00 175.52 175.63 1qo6 n ASP 7 N -4.29 0.00 0.00 5.36 -0.08 -1.26 -5.04 116.55 111.24 1qo6 n ASP 7 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1qo6 n ASP 7 Cb 0.70 0.21 0.00 0.00 2.34 0.00 0.00 41.12 44.38 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1qo6 n SER 8 N -1.91 0.00 0.02 1.67 2.88 -1.26 -5.05 113.62 109.98 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 -0.71 3.25 0.46 0.00 -1.26 -5.08 105.19 101.85 1qo6 n GLY 9 Ca 0.00 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.76 -1.19 1.61 1.01 -1.26 -5.03 120.40 117.29 1qo6 s VAL 10 Ca 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.58 1qo6 s VAL 10 Cb 0.00 -3.19 0.19 0.00 0.00 0.00 0.00 36.38 33.37 1qo6 s VAL 10 CO 0.00 -0.27 1.39 -0.69 0.00 0.00 0.00 175.10 175.53 1qo6 s VAL 11 N 1.37 5.19 0.02 2.92 1.01 -1.26 -3.17 120.40 126.49 1qo6 s VAL 11 Ca -0.00 -2.77 -0.00 0.00 0.00 0.00 0.00 61.98 59.20 1qo6 s VAL 11 Cb -0.20 -4.86 0.01 0.00 0.00 0.00 0.00 36.38 31.32 1qo6 s VAL 11 CO 0.02 -1.55 0.01 -1.22 0.00 0.00 0.00 175.10 172.36 1qo6 n TYR 12 N 5.17 -1.99 -4.02 5.22 4.01 0.74 -4.75 117.16 121.54 1qo6 n TYR 12 Ca 0.35 -0.01 -0.12 0.00 -0.16 0.00 0.00 57.90 57.95 1qo6 n TYR 12 Cb 0.42 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.31 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 -2.00 0.47 -0.78 7.72 0.01 -1.26 -1.99 113.70 115.87 1qo6 s SER 13 Ca 0.01 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 56.83 1qo6 s SER 13 Cb -0.00 0.03 -0.24 0.00 0.21 0.00 0.00 66.02 66.01 1qo6 s SER 13 CO 0.01 -0.14 1.95 0.55 0.41 0.00 0.00 173.24 176.02 1qo6 n VAL 14 N 2.09 0.00 0.00 3.43 3.14 -1.08 0.35 118.33 126.26 1qo6 n VAL 14 Ca -0.19 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1qo6 n VAL 14 Cb 0.56 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 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 5.49 0.99 0.10 7.55 0.00 -0.82 -5.03 105.19 113.48 1qo6 n GLY 15 Ca 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 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 0.67 -1.73 1.61 2.00 0.15 -5.04 117.12 114.78 1qo6 n MET 16 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1qo6 n MET 16 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 31.54 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 -3.05 -4.63 -3.68 0.03 6.02 -1.26 -5.01 117.38 105.81 1qo6 n GLN 17 Ca -0.26 3.42 -0.08 0.00 -0.01 0.00 0.00 57.00 60.07 1qo6 n GLN 17 Cb 1.08 -3.88 0.03 0.00 1.02 0.00 0.00 30.24 28.49 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 -0.54 -2.30 -4.86 1.08 2.14 -0.70 -5.03 117.44 107.24 1qo6 n TRP 18 Ca 0.00 -1.78 -0.25 0.00 2.07 0.00 0.00 57.50 57.54 1qo6 n TRP 18 Cb 0.00 0.89 -0.15 0.00 -0.81 0.00 0.00 31.31 31.24 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 2.05 0.34 5.67 2.96 -1.26 -1.81 118.68 126.63 1qo6 s LEU 19 Ca 0.15 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1qo6 s LEU 19 Cb -0.05 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 1qo6 s LEU 19 CO 0.11 0.22 0.41 -1.59 -1.32 0.00 0.00 176.35 174.18 1qo6 s LYS 20 N -0.53 1.86 0.30 1.98 -2.85 0.23 -4.90 119.74 115.84 1qo6 s LYS 20 Ca 0.07 -1.85 -0.06 0.00 -1.00 0.00 0.00 55.97 53.13 1qo6 s LYS 20 Cb -0.07 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1qo6 s LYS 20 CO -0.00 -0.74 0.46 -0.08 0.10 0.00 0.00 175.35 175.08 1qo6 s THR 21 N -3.18 0.00 -0.10 3.79 -1.32 -1.26 0.26 115.64 113.83 1qo6 s THR 21 Ca 0.34 -1.56 0.12 0.00 -1.21 0.00 0.00 61.69 59.38 1qo6 s THR 21 Cb 0.01 -2.51 -0.17 0.00 -1.51 0.00 0.00 72.50 68.31 1qo6 s THR 21 CO 0.23 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.74 1qo6 n GLN 22 N -0.48 1.57 0.00 7.08 6.02 -1.26 -4.92 117.38 125.38 1qo6 n GLN 22 Ca -0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1qo6 n GLN 22 Cb 0.62 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.55 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 2.10 0.30 0.00 1.08 0.00 -1.26 -4.99 105.19 102.41 1qo6 n GLY 23 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.00 0.00 1.61 2.85 -1.26 -5.15 115.26 113.31 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qo6 n ASN 24 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1qo6 n LYS 25 N -0.15 2.07 -4.14 1.20 2.85 -1.26 -5.08 118.16 113.64 1qo6 n LYS 25 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1qo6 n LYS 25 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1qo6 s GLN 26 N 2.43 0.76 -0.18 -1.58 -0.21 -1.26 -4.39 119.66 115.23 1qo6 s GLN 26 Ca 0.00 -1.20 -0.08 0.00 0.02 0.00 0.00 55.36 54.10 1qo6 s GLN 26 Cb 0.00 -0.23 0.07 0.00 1.00 0.00 0.00 33.01 33.85 1qo6 s GLN 26 CO 0.00 -0.00 0.41 1.41 -2.12 0.00 0.00 175.29 174.99 1qo6 s MET 27 N -3.30 0.35 -0.31 2.91 1.75 0.72 -2.77 119.30 118.65 1qo6 s MET 27 Ca 0.07 0.91 -0.22 0.00 -1.25 0.00 0.00 55.69 55.20 1qo6 s MET 27 Cb 0.02 0.15 -0.00 0.00 2.84 0.00 0.00 34.83 37.83 1qo6 s MET 27 CO -0.04 -0.21 0.71 -1.17 -0.65 0.00 0.00 175.02 173.67 1qo6 s LEU 28 N 2.02 4.12 0.03 4.11 2.96 -0.98 0.77 118.68 131.71 1qo6 s LEU 28 Ca -0.05 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 1qo6 s LEU 28 Cb -0.10 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 1qo6 s LEU 28 CO -0.13 -0.56 0.12 0.00 -1.32 0.00 0.00 176.35 174.47 1qo6 s THR 30 N -1.34 -0.02 -0.42 0.00 2.01 0.23 -1.71 115.64 114.39 1qo6 s THR 30 Ca 0.28 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 1qo6 s THR 30 Cb -0.12 -0.43 0.05 0.00 0.01 0.00 0.00 72.50 72.01 1qo6 s THR 30 CO 0.20 0.03 0.30 0.00 -0.69 0.00 0.00 174.62 174.46 1qo6 n LEU 32 N 5.11 0.00 0.00 0.00 -0.00 -1.15 -1.94 117.00 119.02 1qo6 n LEU 32 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1qo6 n LEU 32 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1qo6 n LEU 32 CO 0.42 0.00 -0.03 0.61 -0.00 0.00 0.00 177.39 178.39 1qo6 n GLY 33 N 3.21 0.00 0.13 1.47 0.00 -1.26 -4.42 105.19 104.33 1qo6 n GLY 33 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.62 0.00 1.61 -1.07 -2.01 -3.50 115.58 111.23 1qo6 h ASN 34 Ca 0.00 -0.90 0.00 0.00 0.07 0.00 0.00 56.30 55.47 1qo6 h ASN 34 Cb 0.06 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 36.11 1qo6 h ASN 34 CO 0.00 1.47 0.00 0.61 0.07 0.00 0.00 177.43 179.58 1qo6 n GLY 35 N 1.56 3.20 2.71 9.14 0.00 -1.26 -5.15 105.19 115.39 1qo6 n GLY 35 Ca -0.14 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 1.58 0.10 -0.13 1.61 1.01 -1.26 -2.93 120.40 120.37 1qo6 s VAL 36 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1qo6 s VAL 36 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1qo6 s VAL 36 CO 0.00 0.18 -0.10 -0.55 0.00 0.00 0.00 175.10 174.63 1qo6 s SER 37 N 2.08 4.30 0.13 3.32 0.15 0.50 -4.85 113.70 119.34 1qo6 s SER 37 Ca 0.05 -0.24 0.10 0.00 0.70 0.00 0.00 55.95 56.56 1qo6 s SER 37 Cb -0.12 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 1qo6 s SER 37 CO -0.04 0.18 -0.24 0.00 1.20 0.00 0.00 173.24 174.34 1qo6 s GLN 39 N -2.15 2.44 -0.95 0.00 0.74 0.68 -4.92 119.66 115.51 1qo6 s GLN 39 Ca 0.16 -1.32 -0.18 0.00 0.05 0.00 0.00 55.36 54.07 1qo6 s GLN 39 Cb -0.10 -3.36 -0.27 0.00 1.10 0.00 0.00 33.01 30.38 1qo6 s GLN 39 CO 0.08 -0.71 2.34 -1.91 -0.55 0.00 0.00 175.29 174.54 1qo6 n GLU 40 N 4.70 0.12 -0.14 1.67 2.13 -1.26 -2.31 120.64 125.54 1qo6 n GLU 40 Ca -0.11 -0.10 0.14 0.00 0.66 0.00 0.00 57.16 57.75 1qo6 n GLU 40 Cb 0.43 -1.58 0.50 0.00 0.27 0.00 0.00 31.44 31.07 1qo6 n GLU 40 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1qo6 h THR 41 N 7.38 0.83 -1.03 6.31 2.02 -1.87 -3.45 112.91 123.11 1qo6 h THR 41 Ca -0.00 -0.14 -0.41 0.00 0.77 0.00 0.00 66.41 66.63 1qo6 h THR 41 Cb 1.17 0.38 -0.15 0.00 -1.74 0.00 0.00 68.15 67.81 1qo6 h THR 41 CO 1.47 0.08 -0.37 0.00 0.37 0.00 0.00 175.52 177.06 1qo6 n ALA 42 N -2.52 -0.31 -0.73 6.16 0.00 -1.12 -4.73 120.51 117.26 1qo6 n ALA 42 Ca 0.13 0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.98 1qo6 n ALA 42 Cb 0.47 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.50 0.00 -4.39 0.00 0.24 -1.26 -4.86 118.33 105.55 1qo6 n VAL 43 Ca -0.20 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.90 1qo6 n VAL 43 Cb 0.65 -0.24 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1qo6 s THR 44 N -1.55 0.82 0.26 3.34 -4.23 -1.26 -5.03 115.64 107.99 1qo6 s THR 44 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1qo6 s THR 44 Cb 0.00 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1qo6 s THR 44 CO 0.00 0.00 0.37 -1.10 -0.54 0.00 0.00 174.62 173.35 1qo6 s GLN 45 N -3.93 3.33 0.05 3.99 -0.21 -1.26 -5.07 119.66 116.56 1qo6 s GLN 45 Ca 0.36 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1qo6 s GLN 45 Cb 0.08 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.21 1qo6 s GLN 45 CO 0.15 0.34 -0.04 0.95 -2.12 0.00 0.00 175.29 174.57 1qo6 s THR 46 N -2.04 0.31 -0.30 -0.19 -4.23 -1.26 -3.80 115.64 104.14 1qo6 s THR 46 Ca 0.36 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.27 1qo6 s THR 46 Cb -0.09 -1.04 0.15 0.00 1.34 0.00 0.00 72.50 72.86 1qo6 s THR 46 CO 0.29 -0.74 0.95 -0.72 -0.54 0.00 0.00 174.62 173.86 1qo6 s TYR 47 N -2.77 -0.70 0.00 3.99 1.13 -1.26 -4.78 117.35 112.96 1qo6 s TYR 47 Ca -0.02 1.27 0.00 0.00 -1.41 0.00 0.00 57.07 56.92 1qo6 s TYR 47 Cb -0.00 0.42 0.00 0.00 -1.10 0.00 0.00 41.96 41.27 1qo6 s TYR 47 CO -0.05 -0.35 0.00 0.41 -2.51 0.00 0.00 175.55 173.06 1qo6 n GLY 48 N 4.51 3.51 7.00 5.49 0.00 -1.25 -4.20 105.19 120.25 1qo6 n GLY 48 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.24 0.00 -0.02 0.00 -1.26 0.25 105.19 104.40 1qo6 n GLY 49 Ca 0.00 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.01 0.00 -2.87 1.61 5.15 0.21 -3.87 115.26 113.48 1qo6 n ASN 50 Ca 0.00 0.47 -0.13 0.00 -0.60 0.00 0.00 54.58 54.32 1qo6 n ASN 50 Cb 0.00 -0.49 0.01 0.00 -0.53 0.00 0.00 39.78 38.77 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1qo6 n SER 51 N -1.49 1.12 -2.45 1.20 7.64 -1.07 -4.79 113.62 113.78 1qo6 n SER 51 Ca 0.07 -2.83 -0.09 0.00 1.01 0.00 0.00 58.87 57.02 1qo6 n SER 51 Cb 0.33 -0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1qo6 n SER 51 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qo6 n ASN 52 N 0.07 -0.23 -2.84 6.43 3.02 0.28 -0.01 115.26 121.98 1qo6 n ASN 52 Ca 0.15 -0.30 -0.01 0.00 -0.03 0.00 0.00 54.58 54.39 1qo6 n ASN 52 Cb 0.76 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 39.55 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qo6 n GLY 53 N -0.87 -1.07 3.99 7.41 0.00 0.69 -3.83 105.19 111.51 1qo6 n GLY 53 Ca -0.01 0.38 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.13 2.83 -0.21 1.61 0.41 0.98 -4.59 118.70 116.61 1qo6 s GLU 54 Ca 0.04 -1.04 -0.36 0.00 -0.41 0.00 0.00 54.97 53.19 1qo6 s GLU 54 Cb -0.01 -2.69 -0.13 0.00 -1.78 0.00 0.00 34.13 29.52 1qo6 s GLU 54 CO 0.64 -0.32 1.89 -2.30 -0.49 0.00 0.00 175.26 174.68 1qo6 n PRO 55 N -1.94 1.62 0.00 0.39 -0.02 -1.26 -4.80 135.00 128.99 1qo6 n PRO 55 Ca 0.06 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1qo6 n PRO 55 Cb 0.59 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.86 0.22 -2.90 0.00 3.14 0.70 -4.63 118.33 112.00 1qo6 n VAL 57 Ca 0.00 -1.29 -0.27 0.00 -2.96 0.00 0.00 64.34 59.82 1qo6 n VAL 57 Cb 0.00 1.03 -0.01 0.00 -1.06 0.00 0.00 33.84 33.80 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 -3.81 3.78 0.16 6.55 -0.00 -1.26 -3.94 118.68 120.15 1qo6 s LEU 58 Ca 0.12 0.84 -0.30 0.00 -0.00 0.00 0.00 54.13 54.79 1qo6 s LEU 58 Cb 0.40 -3.75 -0.08 0.00 -0.00 0.00 0.00 46.19 42.76 1qo6 s LEU 58 CO -0.11 -0.45 1.27 -2.16 -0.00 0.00 0.00 176.35 174.90 1qo6 s PRO 59 N -4.38 4.41 0.11 1.48 0.04 -1.26 -4.96 135.00 130.44 1qo6 s PRO 59 Ca 0.46 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1qo6 s PRO 59 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1qo6 s PRO 59 CO 0.39 -0.24 0.04 1.97 0.04 0.00 0.00 177.00 179.20 1qo6 n PHE 60 N 3.06 -0.49 -4.51 0.56 1.16 -0.94 -4.88 117.46 111.41 1qo6 n PHE 60 Ca 0.07 -0.50 -0.26 0.00 -1.87 0.00 0.00 57.45 54.89 1qo6 n PHE 60 Cb 0.44 -0.08 -0.17 0.00 -1.61 0.00 0.00 39.48 38.06 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 -0.99 1.27 -0.08 1.97 2.01 -1.26 -2.00 115.64 116.57 1qo6 s THR 61 Ca 0.03 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1qo6 s THR 61 Cb -0.00 -1.17 0.04 0.00 0.01 0.00 0.00 72.50 71.38 1qo6 s THR 61 CO 0.02 0.39 0.18 -0.47 -0.69 0.00 0.00 174.62 174.05 1qo6 s TYR 62 N 0.85 -0.21 0.00 4.92 5.04 -0.78 -4.68 117.35 122.48 1qo6 s TYR 62 Ca -0.11 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1qo6 s TYR 62 Cb -0.15 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.13 1qo6 s TYR 62 CO 0.01 -0.18 0.00 -1.71 -1.34 0.00 0.00 175.55 172.34 1qo6 n ASN 63 N 4.09 -3.57 0.00 4.32 2.85 -1.26 -1.94 115.26 119.75 1qo6 n ASN 63 Ca -0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 1qo6 n ASN 63 Cb 0.53 -2.12 0.00 0.00 1.24 0.00 0.00 39.78 39.43 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 -0.94 2.43 0.00 8.20 0.00 -1.26 -5.07 105.19 108.55 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 -1.32 1.70 -4.01 1.61 1.85 -0.82 -5.08 116.66 110.60 1qo6 n ARG 65 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 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 1.20 0.27 -0.13 8.89 2.01 -1.26 -1.86 115.64 124.75 1qo6 s THR 66 Ca 0.00 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1qo6 s THR 66 Cb 0.00 -0.38 0.05 0.00 0.01 0.00 0.00 72.50 72.18 1qo6 s THR 66 CO 0.00 -0.44 0.05 -0.36 -0.69 0.00 0.00 174.62 173.18 1qo6 s PHE 67 N -1.39 0.51 -2.00 4.92 0.40 -0.85 -4.96 117.98 114.62 1qo6 s PHE 67 Ca -0.13 -0.34 0.18 0.00 -0.60 0.00 0.00 56.93 56.03 1qo6 s PHE 67 Cb -0.10 -0.78 1.07 0.00 0.51 0.00 0.00 43.02 43.73 1qo6 s PHE 67 CO -0.00 -0.45 1.56 0.66 0.70 0.00 0.00 175.22 177.69 1qo6 n TYR 68 N 5.19 0.00 -2.44 0.36 4.02 -1.26 -2.21 117.16 120.83 1qo6 n TYR 68 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 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 0.45 -1.01 0.00 0.00 176.86 176.30 1qo6 n SER 69 N -0.85 0.00 -4.72 7.72 2.88 -1.26 -4.47 113.62 112.93 1qo6 n SER 69 Ca 0.13 -0.32 -0.31 0.00 -1.33 0.00 0.00 58.87 57.05 1qo6 n SER 69 Cb 0.06 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.65 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qo6 s THR 71 N -2.80 0.00 -0.01 0.00 -1.32 -0.54 -4.91 115.64 106.07 1qo6 s THR 71 Ca 0.64 -1.26 0.01 0.00 -1.21 0.00 0.00 61.69 59.87 1qo6 s THR 71 Cb -0.20 -2.80 0.01 0.00 -1.51 0.00 0.00 72.50 68.01 1qo6 s THR 71 CO 0.57 0.00 0.73 0.35 -2.21 0.00 0.00 174.62 174.06 1qo6 n THR 72 N -0.55 0.19 0.14 5.08 -2.24 -1.26 -0.69 114.28 114.95 1qo6 n THR 72 Ca -0.04 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1qo6 n THR 72 Cb 0.61 0.74 0.30 0.00 -2.10 0.00 0.00 70.33 69.88 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qo6 h GLU 73 N 0.00 0.11 -2.29 -0.78 4.39 -1.97 -3.26 114.58 110.78 1qo6 h GLU 73 Ca 0.00 -0.05 -0.64 0.00 0.34 0.00 0.00 59.36 59.02 1qo6 h GLU 73 Cb 1.07 -0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.32 1qo6 h GLU 73 CO 0.00 0.48 -0.28 0.41 -1.16 0.00 0.00 179.01 178.46 1qo6 n GLY 74 N -0.34 5.61 3.33 -3.84 0.00 -1.26 -5.02 105.19 103.68 1qo6 n GLY 74 Ca -0.02 -2.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.14 1qo6 n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qo6 s ARG 75 N -3.51 1.01 -0.01 1.61 1.70 -1.23 -5.01 118.95 113.52 1qo6 s ARG 75 Ca 0.46 -0.49 0.24 0.00 -0.47 0.00 0.00 55.73 55.47 1qo6 s ARG 75 Cb 0.24 0.45 0.41 0.00 -0.57 0.00 0.00 34.95 35.49 1qo6 s ARG 75 CO -0.12 -0.38 1.17 1.04 -1.08 0.00 0.00 175.30 175.94 1qo6 n GLN 76 N 0.15 0.07 0.01 3.89 6.02 -1.26 -4.88 117.38 121.38 1qo6 n GLN 76 Ca -0.17 -2.02 0.00 0.00 -0.01 0.00 0.00 57.00 54.79 1qo6 n GLN 76 Cb 0.62 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 31.79 1qo6 n GLN 76 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1qo6 n ASP 77 N 0.41 0.10 0.00 1.08 5.75 -1.26 -5.06 116.55 117.57 1qo6 n ASP 77 Ca 0.06 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1qo6 n ASP 77 Cb 1.11 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qo6 n GLY 78 N 2.80 0.28 3.26 6.12 0.00 -1.26 -5.13 105.19 111.26 1qo6 n GLY 78 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.97 2.90 0.49 1.61 3.76 -1.26 -5.09 115.29 116.73 1qo6 s HIS 79 Ca 0.00 -1.12 -0.20 0.00 -0.15 0.00 0.00 55.06 53.59 1qo6 s HIS 79 Cb 0.00 -2.03 -0.11 0.00 1.11 0.00 0.00 32.58 31.55 1qo6 s HIS 79 CO 0.00 -0.60 0.56 1.28 -0.85 0.00 0.00 174.74 175.13 1qo6 n LEU 80 N 4.66 0.47 -3.97 0.89 4.32 -1.25 -4.72 117.00 117.40 1qo6 n LEU 80 Ca -0.19 0.83 -0.09 0.00 -0.02 0.00 0.00 56.01 56.55 1qo6 n LEU 80 Cb 0.51 -1.15 -0.10 0.00 -1.62 0.00 0.00 43.42 41.06 1qo6 n LEU 80 CO 0.28 -2.90 -0.27 -1.66 -1.22 0.00 0.00 177.39 171.63 1qo6 s TRP 81 N -1.59 0.28 0.00 -1.77 1.48 0.13 0.61 118.94 118.09 1qo6 s TRP 81 Ca 0.66 -0.64 0.00 0.00 -1.06 0.00 0.00 56.10 55.05 1qo6 s TRP 81 Cb -0.52 -0.20 0.00 0.00 -1.16 0.00 0.00 33.47 31.58 1qo6 s TRP 81 CO 0.56 -0.35 0.00 0.00 -4.06 0.00 0.00 176.95 173.11 1qo6 s SER 83 N 1.00 1.63 0.00 0.00 0.15 -1.26 -2.32 113.70 112.90 1qo6 s SER 83 Ca 0.00 -0.19 0.27 0.00 0.70 0.00 0.00 55.95 56.73 1qo6 s SER 83 Cb 0.00 -0.62 1.62 0.00 -1.71 0.00 0.00 66.02 65.32 1qo6 s SER 83 CO 0.00 -0.11 1.99 0.35 1.20 0.00 0.00 173.24 176.68 1qo6 n THR 84 N 4.63 0.00 -3.65 6.45 -2.24 -0.93 0.25 114.28 118.79 1qo6 n THR 84 Ca -0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 1qo6 n THR 84 Cb 0.50 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 1qo6 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qo6 s THR 85 N -2.00 0.06 0.01 4.28 2.01 -1.26 -4.67 115.64 114.07 1qo6 s THR 85 Ca 0.41 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.75 1qo6 s THR 85 Cb 0.19 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1qo6 s THR 85 CO 0.31 -0.27 1.07 -1.28 -0.69 0.00 0.00 174.62 173.77 1qo6 h SER 86 N 2.33 -0.17 -0.91 3.53 0.87 -1.87 -3.36 113.55 113.96 1qo6 h SER 86 Ca -0.33 0.01 -0.36 0.00 -1.23 0.00 0.00 61.79 59.89 1qo6 h SER 86 Cb 1.26 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.22 1qo6 h SER 86 CO 0.45 -0.09 0.89 0.21 -0.53 0.00 0.00 176.83 177.76 1qo6 s ASN 87 N -2.44 5.34 0.09 6.23 3.84 -1.26 -4.59 114.94 122.16 1qo6 s ASN 87 Ca -0.02 -0.67 0.09 0.00 0.21 0.00 0.00 52.86 52.46 1qo6 s ASN 87 Cb 0.00 -2.56 -0.20 0.00 -0.55 0.00 0.00 41.25 37.95 1qo6 s ASN 87 CO 0.08 -2.54 1.15 0.22 -2.79 0.00 0.00 177.10 173.22 1qo6 h TYR 88 N 11.43 0.00 -0.12 0.43 3.20 -1.84 -1.50 116.97 128.57 1qo6 h TYR 88 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1qo6 h TYR 88 Cb 1.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1qo6 h TYR 88 CO 1.21 0.96 0.00 0.39 -1.64 0.00 0.00 178.16 179.08 1qo6 n GLU 89 N -3.27 1.29 0.00 1.82 -0.58 -1.26 -2.06 120.64 116.57 1qo6 n GLU 89 Ca -0.04 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 1qo6 n GLU 89 Cb 0.95 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1qo6 n GLN 90 N -0.14 0.00 0.09 3.49 -0.06 -1.21 -4.82 117.38 114.73 1qo6 n GLN 90 Ca 0.04 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.00 1qo6 n GLN 90 Cb 0.10 -0.35 -0.03 0.00 -4.06 0.00 0.00 30.24 25.90 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 0.00 0.00 -5.94 1.69 5.19 -1.40 -3.48 116.42 112.48 1qo6 h ASP 91 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 1qo6 h ASP 91 Cb 0.58 0.00 0.10 0.00 0.18 0.00 0.00 39.33 40.18 1qo6 h ASP 91 CO 0.00 0.83 -0.82 0.00 -3.12 0.00 0.00 179.24 176.12 1qo6 n GLN 92 N -3.39 -4.91 -3.70 3.56 1.13 -0.87 -4.97 117.38 104.23 1qo6 n GLN 92 Ca 0.00 0.68 -0.30 0.00 -1.94 0.00 0.00 57.00 55.45 1qo6 n GLN 92 Cb 0.84 -5.33 -0.13 0.00 0.11 0.00 0.00 30.24 25.73 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1qo6 s LYS 93 N -5.71 1.20 0.30 -1.09 0.00 -1.26 -5.03 119.74 108.15 1qo6 s LYS 93 Ca 0.06 -1.90 0.08 0.00 0.00 0.00 0.00 55.97 54.22 1qo6 s LYS 93 Cb -0.01 -2.25 -0.04 0.00 0.00 0.00 0.00 37.83 35.53 1qo6 s LYS 93 CO 0.79 -1.15 0.12 1.52 0.00 0.00 0.00 175.35 176.63 1qo6 s TYR 94 N 0.49 2.80 0.26 1.78 -0.85 -1.26 -2.19 117.35 118.38 1qo6 s TYR 94 Ca 0.17 -0.27 0.01 0.00 -0.52 0.00 0.00 57.07 56.46 1qo6 s TYR 94 Cb -0.24 -1.47 -0.00 0.00 0.38 0.00 0.00 41.96 40.62 1qo6 s TYR 94 CO -0.01 0.44 0.04 0.45 -1.52 0.00 0.00 175.55 174.96 1qo6 n SER 95 N -1.10 1.92 -4.67 -0.18 2.88 -0.98 -0.62 113.62 110.87 1qo6 n SER 95 Ca -0.05 -2.28 -0.23 0.00 -1.33 0.00 0.00 58.87 54.98 1qo6 n SER 95 Cb 0.60 0.41 0.01 0.00 -0.75 0.00 0.00 64.21 64.48 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1qo6 n PHE 96 N -0.63 -0.99 -3.24 0.66 3.72 -1.26 -1.31 117.46 114.42 1qo6 n PHE 96 Ca -0.08 -2.14 -0.03 0.00 -0.05 0.00 0.00 57.45 55.16 1qo6 n PHE 96 Cb 0.36 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.43 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 5.39 2.66 -0.65 0.00 5.66 -1.25 -3.81 114.28 122.28 1qo6 n THR 98 Ca 0.01 -1.46 0.49 0.00 -3.05 0.00 0.00 64.05 60.03 1qo6 n THR 98 Cb 0.51 -0.65 0.75 0.00 -1.55 0.00 0.00 70.33 69.39 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1qo6 n ASP 99 N -0.68 0.00 0.00 1.09 2.03 -1.26 -4.80 116.55 112.92 1qo6 n ASP 99 Ca 0.44 0.90 0.00 0.00 0.52 0.00 0.00 54.79 56.65 1qo6 n ASP 99 Cb 1.32 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1qo6 n HIS 100 N -3.73 -0.51 1.87 -0.67 -0.00 -1.26 -5.03 115.22 105.88 1qo6 n HIS 100 Ca 0.40 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 58.28 1qo6 n HIS 100 Cb 1.83 0.12 0.84 0.00 -0.00 0.00 0.00 29.99 32.78 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97