#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbn s VAL 8 N 0.00 5.02 -1.23 1.39 1.01 0.20 -4.05 120.40 122.74 1qbn s VAL 8 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1qbn s VAL 8 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1qbn s VAL 8 CO 0.00 0.45 0.06 0.61 0.00 0.00 0.00 175.10 176.22 1qbn n GLY 9 N 3.54 -0.22 0.00 4.51 0.00 -1.25 -1.47 105.19 110.30 1qbn n GLY 9 Ca -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1qbn n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbn n GLY 10 N -1.05 2.87 3.28 -0.02 0.00 -1.26 -4.87 105.19 104.14 1qbn n GLY 10 Ca -0.16 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.65 1qbn n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qbn s TYR 11 N 1.67 1.38 -0.11 1.61 -0.85 -0.00 -4.92 117.35 116.13 1qbn s TYR 11 Ca 0.00 -0.94 -0.30 0.00 -0.52 0.00 0.00 57.07 55.31 1qbn s TYR 11 Cb 0.00 -0.78 -0.03 0.00 0.38 0.00 0.00 41.96 41.52 1qbn s TYR 11 CO 0.00 -0.10 1.39 0.99 -1.52 0.00 0.00 175.55 176.31 1qbn s THR 12 N -3.51 4.01 0.15 -3.49 2.01 -1.26 -0.00 115.64 113.55 1qbn s THR 12 Ca 0.25 1.25 -0.16 0.00 0.31 0.00 0.00 61.69 63.33 1qbn s THR 12 Cb 0.05 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1qbn s THR 12 CO 0.06 -0.09 1.79 0.00 -0.69 0.00 0.00 174.62 175.69 1qbn n GLY 14 N -1.20 2.76 3.67 0.00 0.00 -1.26 -4.80 105.19 104.36 1qbn n GLY 14 Ca 0.00 -1.62 -0.49 0.00 0.00 0.00 0.00 46.02 43.92 1qbn n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbn n ALA 15 N 0.92 0.81 -3.54 4.61 0.00 -1.26 -2.74 120.51 119.31 1qbn n ALA 15 Ca 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.55 1qbn n ALA 15 Cb 0.00 -2.38 0.02 0.00 0.00 0.00 0.00 19.45 17.09 1qbn n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qbn n ASN 16 N 4.93 -4.93 0.13 0.00 4.13 -1.26 -4.87 115.26 113.38 1qbn n ASN 16 Ca 0.20 -0.54 0.12 0.00 1.68 0.00 0.00 54.58 56.04 1qbn n ASN 16 Cb 0.27 -3.97 0.07 0.00 -1.54 0.00 0.00 39.78 34.60 1qbn n ASN 16 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1qbn h THR 17 N -1.67 0.00 -2.41 3.41 2.02 -1.82 -3.37 112.91 109.07 1qbn h THR 17 Ca -0.53 -0.94 -0.60 0.00 0.77 0.00 0.00 66.41 65.11 1qbn h THR 17 Cb 1.35 1.57 -0.42 0.00 -1.74 0.00 0.00 68.15 68.92 1qbn h THR 17 CO 0.60 0.00 -0.65 0.52 0.37 0.00 0.00 175.52 176.36 1qbn n VAL 18 N -2.71 1.75 0.26 3.16 0.31 -1.26 -4.97 118.33 114.86 1qbn n VAL 18 Ca 0.01 -4.95 0.12 0.00 -0.01 0.00 0.00 64.34 59.52 1qbn n VAL 18 Cb 0.53 -2.09 0.59 0.00 -0.91 0.00 0.00 33.84 31.96 1qbn n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qbn h PRO 19 N 4.53 0.00 -0.01 5.55 0.13 -1.78 -2.58 132.00 137.83 1qbn h PRO 19 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1qbn h PRO 19 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1qbn h PRO 19 CO 0.75 0.00 -0.19 2.48 -0.23 0.00 0.00 178.00 180.82 1qbn n TYR 20 N -2.33 0.00 -2.47 1.56 0.18 -1.12 -1.75 117.16 111.23 1qbn n TYR 20 Ca -0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1qbn n TYR 20 Cb 0.11 -0.06 -0.03 0.00 -0.38 0.00 0.00 39.34 38.99 1qbn n TYR 20 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1qbn s GLN 21 N -2.30 4.46 0.09 -3.48 2.00 -0.97 -1.06 119.66 118.41 1qbn s GLN 21 Ca 0.28 1.72 0.09 0.00 -2.00 0.00 0.00 55.36 55.45 1qbn s GLN 21 Cb 0.20 -3.35 -0.03 0.00 0.80 0.00 0.00 33.01 30.62 1qbn s GLN 21 CO 0.45 -0.20 -0.23 0.08 -0.50 0.00 0.00 175.29 174.89 1qbn s VAL 22 N 0.92 1.93 -0.18 1.34 1.01 -0.10 -4.48 120.40 120.86 1qbn s VAL 22 Ca 0.57 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1qbn s VAL 22 Cb -0.28 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1qbn s VAL 22 CO 0.30 0.10 -0.02 -0.55 0.00 0.00 0.00 175.10 174.92 1qbn s SER 23 N -1.72 4.81 -0.23 3.32 0.15 -0.69 -1.65 113.70 117.69 1qbn s SER 23 Ca 0.10 -0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 1qbn s SER 23 Cb -0.10 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.37 1qbn s SER 23 CO 0.04 0.12 0.35 -0.76 1.20 0.00 0.00 173.24 174.19 1qbn s LEU 24 N 0.67 4.11 -0.05 3.45 1.43 0.11 -0.42 118.68 127.99 1qbn s LEU 24 Ca -0.01 0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1qbn s LEU 24 Cb -0.14 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 1qbn s LEU 24 CO 0.02 -0.09 -0.19 0.21 0.23 0.00 0.00 176.35 176.53 1qbn s ASN 25 N 1.23 2.45 -0.35 2.29 3.84 0.33 -1.53 114.94 123.20 1qbn s ASN 25 Ca 0.16 -0.41 0.13 0.00 0.21 0.00 0.00 52.86 52.96 1qbn s ASN 25 Cb -0.15 -0.75 0.45 0.00 -0.55 0.00 0.00 41.25 40.25 1qbn s ASN 25 CO 0.08 0.17 1.04 -1.54 -2.79 0.00 0.00 177.10 174.06 1qbn n SER 26 N 3.18 2.81 0.00 -4.21 3.41 -1.26 -1.13 113.62 116.42 1qbn n SER 26 Ca -0.18 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1qbn n SER 26 Cb 0.53 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1qbn n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qbn n GLY 27 N -0.32 0.46 3.56 5.00 0.00 -1.26 -5.00 105.19 107.63 1qbn n GLY 27 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 1qbn n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qbn s TYR 28 N -2.00 -0.22 0.09 1.61 1.13 -1.26 -5.14 117.35 111.56 1qbn s TYR 28 Ca 0.00 0.13 -0.31 0.00 -1.41 0.00 0.00 57.07 55.48 1qbn s TYR 28 Cb 0.00 0.53 -0.07 0.00 -1.10 0.00 0.00 41.96 41.32 1qbn s TYR 28 CO 0.00 -0.35 1.30 -1.58 -2.51 0.00 0.00 175.55 172.41 1qbn s HIS 29 N -2.72 3.33 0.00 -3.49 5.65 -1.26 -4.21 115.29 112.60 1qbn s HIS 29 Ca 0.08 1.11 0.00 0.00 0.25 0.00 0.00 55.06 56.50 1qbn s HIS 29 Cb -0.01 -3.56 0.00 0.00 -1.18 0.00 0.00 32.58 27.83 1qbn s HIS 29 CO -0.06 -1.88 0.00 1.97 -0.65 0.00 0.00 174.74 174.12 1qbn n PHE 30 N 3.91 0.00 -3.52 3.88 1.16 -0.58 -4.97 117.46 117.34 1qbn n PHE 30 Ca 0.10 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.58 1qbn n PHE 30 Cb 0.44 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.28 1qbn n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qbn s GLY 32 N -2.04 1.78 0.17 0.00 0.00 0.57 0.10 107.32 107.90 1qbn s GLY 32 Ca 0.02 -1.69 -0.24 0.00 0.00 0.00 0.00 44.72 42.81 1qbn s GLY 32 CO -0.05 -1.22 0.99 -0.32 0.00 0.00 0.00 173.10 172.50 1qbn s GLY 33 N -4.64 -0.10 -0.05 0.20 0.00 -0.66 -3.71 107.32 98.36 1qbn s GLY 33 Ca 0.63 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 45.33 1qbn s GLY 33 CO 0.42 0.80 -0.14 -0.56 0.00 0.00 0.00 173.10 173.62 1qbn s SER 34 N -3.11 1.85 -0.20 1.64 0.01 -0.31 -0.92 113.70 112.66 1qbn s SER 34 Ca 0.16 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 56.84 1qbn s SER 34 Cb -0.02 -0.67 -0.00 0.00 0.21 0.00 0.00 66.02 65.55 1qbn s SER 34 CO 0.03 0.09 0.96 -0.22 0.41 0.00 0.00 173.24 174.51 1qbn s LEU 35 N 0.34 4.13 -0.02 2.44 2.96 -0.22 -0.94 118.68 127.37 1qbn s LEU 35 Ca -0.09 1.30 0.19 0.00 -0.22 0.00 0.00 54.13 55.32 1qbn s LEU 35 Cb -0.13 -3.43 -0.26 0.00 0.50 0.00 0.00 46.19 42.88 1qbn s LEU 35 CO 0.03 -0.56 0.57 2.30 -1.32 0.00 0.00 176.35 177.37 1qbn n ILE 36 N 5.09 0.00 -3.83 6.68 -5.35 -0.13 -1.15 119.36 120.67 1qbn n ILE 36 Ca 0.09 -0.28 -0.04 0.00 -0.27 0.00 0.00 62.75 62.25 1qbn n ILE 36 Cb 0.47 0.44 0.01 0.00 -1.74 0.00 0.00 39.64 38.82 1qbn n ILE 36 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1qbn s ASN 37 N -3.62 -0.06 0.63 7.28 2.20 -1.17 -4.55 114.94 115.65 1qbn s ASN 37 Ca -0.01 -0.64 0.34 0.00 -0.94 0.00 0.00 52.86 51.61 1qbn s ASN 37 Cb 0.13 0.54 1.92 0.00 -2.00 0.00 0.00 41.25 41.84 1qbn s ASN 37 CO 0.78 -1.05 2.16 0.77 -2.94 0.00 0.00 177.10 176.82 1qbn h SER 38 N 2.00 0.00 -0.00 3.54 4.64 -1.96 -3.04 113.55 118.73 1qbn h SER 38 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1qbn h SER 38 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1qbn h SER 38 CO 0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 176.22 1qbn n GLN 39 N -3.37 2.24 -4.60 4.77 6.02 -1.26 -0.68 117.38 120.49 1qbn n GLN 39 Ca -0.01 -0.41 -0.23 0.00 -0.01 0.00 0.00 57.00 56.34 1qbn n GLN 39 Cb 0.24 -0.89 -0.14 0.00 1.02 0.00 0.00 30.24 30.46 1qbn n GLN 39 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1qbn s TRP 40 N -0.73 1.40 -0.02 1.08 0.52 -1.15 -0.51 118.94 119.54 1qbn s TRP 40 Ca 0.03 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 55.90 1qbn s TRP 40 Cb 0.03 -0.87 -0.01 0.00 -1.15 0.00 0.00 33.47 31.46 1qbn s TRP 40 CO 0.08 0.01 -0.18 0.08 0.02 0.00 0.00 176.95 176.97 1qbn s VAL 41 N -0.56 1.40 -0.11 4.03 1.01 -0.16 -0.96 120.40 125.05 1qbn s VAL 41 Ca 0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1qbn s VAL 41 Cb -0.07 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1qbn s VAL 41 CO 0.00 0.40 0.01 -0.69 0.00 0.00 0.00 175.10 174.83 1qbn s VAL 42 N -0.34 4.41 0.00 2.92 1.01 -0.12 -0.42 120.40 127.85 1qbn s VAL 42 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1qbn s VAL 42 Cb -0.08 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1qbn s VAL 42 CO -0.00 0.57 0.00 -0.24 0.00 0.00 0.00 175.10 175.42 1qbn n SER 43 N 2.57 0.00 -4.84 3.32 2.88 0.14 -1.16 113.62 116.53 1qbn n SER 43 Ca -0.18 -0.89 -0.37 0.00 -1.33 0.00 0.00 58.87 56.10 1qbn n SER 43 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1qbn n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qbn s ALA 44 N -1.62 3.64 0.35 -1.46 0.00 -1.26 -1.05 121.76 120.35 1qbn s ALA 44 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1qbn s ALA 44 Cb 0.00 -2.48 0.72 0.00 0.00 0.00 0.00 23.12 21.36 1qbn s ALA 44 CO 0.00 0.46 1.93 0.00 0.00 0.00 0.00 175.76 178.16 1qbn h ALA 45 N 4.15 1.69 0.00 0.00 0.00 -1.70 -2.00 119.26 121.40 1qbn h ALA 45 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qbn h ALA 45 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1qbn h ALA 45 CO 0.64 0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.66 1qbn n HIS 46 N -4.49 0.00 1.27 0.00 1.44 -1.26 -1.21 115.22 110.97 1qbn n HIS 46 Ca 0.12 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.96 1qbn n HIS 46 Cb 0.27 -0.43 0.40 0.00 0.12 0.00 0.00 29.99 30.34 1qbn n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qbn n TYR 48 N -0.59 2.32 -3.59 0.00 4.19 -0.35 -4.98 117.16 114.17 1qbn n TYR 48 Ca 0.13 0.32 -0.12 0.00 3.31 0.00 0.00 57.90 61.54 1qbn n TYR 48 Cb 0.35 -2.52 -0.05 0.00 0.49 0.00 0.00 39.34 37.61 1qbn n TYR 48 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1qbn s LYS 49 N 0.21 1.07 0.13 2.98 2.20 -1.26 -5.15 119.74 119.91 1qbn s LYS 49 Ca 0.72 -0.46 -0.13 0.00 -0.36 0.00 0.00 55.97 55.74 1qbn s LYS 49 Cb -0.64 0.48 -0.07 0.00 -1.51 0.00 0.00 37.83 36.10 1qbn s LYS 49 CO 0.44 -0.41 0.51 -1.12 -0.36 0.00 0.00 175.35 174.41 1qbn s SER 50 N -2.40 6.77 -0.38 1.43 0.01 -1.26 -4.49 113.70 113.39 1qbn s SER 50 Ca -0.01 0.99 -0.01 0.00 1.31 0.00 0.00 55.95 58.23 1qbn s SER 50 Cb 0.00 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.97 1qbn s SER 50 CO -0.07 0.12 0.32 0.61 0.41 0.00 0.00 173.24 174.62 1qbn n GLY 51 N 0.81 0.20 3.82 3.44 0.00 -1.26 -5.04 105.19 107.16 1qbn n GLY 51 Ca -0.06 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1qbn n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qbn s ILE 52 N -3.12 4.88 -0.11 -0.61 1.01 -1.26 -4.62 121.20 117.36 1qbn s ILE 52 Ca 0.05 1.04 0.03 0.00 0.00 0.00 0.00 60.65 61.76 1qbn s ILE 52 Cb -0.01 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 1qbn s ILE 52 CO 0.24 0.57 -0.22 -1.58 0.00 0.00 0.00 174.94 173.95 1qbn s GLN 53 N -1.10 3.11 -0.22 2.79 0.74 -0.28 -2.32 119.66 122.38 1qbn s GLN 53 Ca 0.26 -0.84 -0.15 0.00 0.05 0.00 0.00 55.36 54.68 1qbn s GLN 53 Cb -0.18 -2.38 -0.04 0.00 1.10 0.00 0.00 33.01 31.51 1qbn s GLN 53 CO 0.16 0.16 0.37 0.08 -0.55 0.00 0.00 175.29 175.52 1qbn s VAL 54 N 0.41 5.21 -0.27 1.34 1.01 0.23 -0.52 120.40 127.81 1qbn s VAL 54 Ca -0.16 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1qbn s VAL 54 Cb -0.17 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1qbn s VAL 54 CO 0.07 0.24 -0.02 -0.13 0.00 0.00 0.00 175.10 175.26 1qbn s ARG 55 N 1.44 2.83 0.23 2.72 0.52 0.44 -0.83 118.95 126.30 1qbn s ARG 55 Ca 0.17 -0.99 0.06 0.00 -0.52 0.00 0.00 55.73 54.45 1qbn s ARG 55 Cb -0.15 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 1qbn s ARG 55 CO 0.08 -0.44 0.22 -0.51 0.02 0.00 0.00 175.30 174.67 1qbn s LEU 56 N 1.35 3.94 -1.74 2.53 1.02 0.04 -1.71 118.68 124.12 1qbn s LEU 56 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1qbn s LEU 56 Cb -0.17 -2.49 0.00 0.00 0.02 0.00 0.00 46.19 43.55 1qbn s LEU 56 CO -0.02 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.93 1qbn n GLY 57 N -1.06 1.15 3.79 -3.19 0.00 -1.26 -1.68 105.19 102.94 1qbn n GLY 57 Ca -0.08 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1qbn n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qbn s GLU 58 N -3.85 4.53 0.00 1.61 0.41 -1.26 -4.10 118.70 116.03 1qbn s GLU 58 Ca 0.00 1.24 0.00 0.00 -0.41 0.00 0.00 54.97 55.80 1qbn s GLU 58 Cb 0.00 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1qbn s GLU 58 CO 0.00 0.31 0.00 -3.47 -0.49 0.00 0.00 175.26 171.61 1qbn n ASP 59 N 0.64 0.00 -4.62 -0.19 2.03 -1.26 -4.62 116.55 108.52 1qbn n ASP 59 Ca 0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.90 1qbn n ASP 59 Cb 0.50 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.85 1qbn n ASP 59 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1qbn s ASN 60 N -1.08 6.67 0.00 1.67 3.84 -1.25 -3.29 114.94 121.50 1qbn s ASN 60 Ca 0.00 0.71 0.26 0.00 0.21 0.00 0.00 52.86 54.04 1qbn s ASN 60 Cb 0.00 -2.40 1.42 0.00 -0.55 0.00 0.00 41.25 39.72 1qbn s ASN 60 CO 0.00 -0.57 1.90 2.30 -2.79 0.00 0.00 177.10 177.94 1qbn n ILE 61 N 5.45 0.10 0.39 -5.21 -5.35 0.57 -3.04 119.36 112.28 1qbn n ILE 61 Ca 0.03 0.03 0.05 0.00 -0.27 0.00 0.00 62.75 62.59 1qbn n ILE 61 Cb 0.48 -0.60 0.05 0.00 -1.74 0.00 0.00 39.64 37.82 1qbn n ILE 61 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1qbn n ASN 62 N -1.17 1.88 -4.00 7.28 3.02 -1.26 -4.96 115.26 116.04 1qbn n ASN 62 Ca 0.15 -1.44 -0.21 0.00 -0.03 0.00 0.00 54.58 53.06 1qbn n ASN 62 Cb 0.16 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.16 1qbn n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qbn s VAL 63 N -0.84 0.80 -0.50 2.41 1.01 -1.17 -5.09 120.40 117.02 1qbn s VAL 63 Ca 0.12 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 1qbn s VAL 63 Cb 0.08 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1qbn s VAL 63 CO 0.13 0.25 0.96 -0.69 0.00 0.00 0.00 175.10 175.75 1qbn s VAL 64 N 0.21 4.40 -1.13 2.92 1.01 -1.26 -4.65 120.40 121.90 1qbn s VAL 64 Ca -0.04 0.64 0.23 0.00 0.00 0.00 0.00 61.98 62.82 1qbn s VAL 64 Cb -0.09 -4.49 -0.11 0.00 0.00 0.00 0.00 36.38 31.69 1qbn s VAL 64 CO 0.01 -0.96 1.11 -0.62 0.00 0.00 0.00 175.10 174.64 1qbn n GLU 65 N 7.38 0.15 0.00 2.72 1.02 -1.26 -5.02 120.64 125.63 1qbn n GLU 65 Ca 0.05 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1qbn n GLU 65 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1qbn n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qbn n GLY 66 N 1.48 2.19 1.68 0.62 0.00 -1.26 -4.96 105.19 104.94 1qbn n GLY 66 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1qbn n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qbn n ASN 67 N 0.00 5.13 -4.86 1.61 3.02 -1.26 -5.00 115.26 113.89 1qbn n ASN 67 Ca 0.00 -2.66 -0.31 0.00 -0.03 0.00 0.00 54.58 51.58 1qbn n ASN 67 Cb 0.00 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 38.50 1qbn n ASN 67 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qbn s GLU 68 N -2.24 3.88 -0.09 3.52 8.01 -1.26 -4.35 118.70 126.17 1qbn s GLU 68 Ca 0.52 0.52 0.00 0.00 0.01 0.00 0.00 54.97 56.03 1qbn s GLU 68 Cb 0.36 -2.44 0.02 0.00 -4.31 0.00 0.00 34.13 27.76 1qbn s GLU 68 CO 0.21 0.09 -0.07 -0.65 0.01 0.00 0.00 175.26 174.85 1qbn s GLN 69 N -3.35 1.39 -0.27 1.61 -0.21 -0.67 -4.98 119.66 113.18 1qbn s GLN 69 Ca 0.52 -0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.61 1qbn s GLN 69 Cb -0.10 -1.40 0.00 0.00 1.00 0.00 0.00 33.01 32.51 1qbn s GLN 69 CO 0.24 -0.19 0.04 -0.06 -2.12 0.00 0.00 175.29 173.20 1qbn s PHE 70 N 1.42 3.10 -0.05 0.91 2.99 -1.26 -0.78 117.98 124.30 1qbn s PHE 70 Ca -0.01 -0.98 0.01 0.00 0.00 0.00 0.00 56.93 55.95 1qbn s PHE 70 Cb -0.13 -2.20 0.02 0.00 0.00 0.00 0.00 43.02 40.71 1qbn s PHE 70 CO -0.04 -0.56 -0.06 0.42 -0.00 0.00 0.00 175.22 174.97 1qbn s ILE 71 N 1.49 0.69 0.69 0.64 1.01 -0.01 -4.97 121.20 120.74 1qbn s ILE 71 Ca 0.03 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 1qbn s ILE 71 Cb -0.16 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.63 1qbn s ILE 71 CO 0.01 0.26 1.13 -0.44 0.00 0.00 0.00 174.94 175.90 1qbn s SER 72 N 0.94 4.81 0.01 3.58 0.01 -1.26 -0.60 113.70 121.19 1qbn s SER 72 Ca -0.10 2.05 -0.21 0.00 1.31 0.00 0.00 55.95 59.00 1qbn s SER 72 Cb -0.14 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 1qbn s SER 72 CO 0.00 -1.83 0.60 0.00 0.41 0.00 0.00 173.24 172.42 1qbn s ALA 73 N -2.34 3.49 -0.13 1.44 0.00 -0.98 -0.83 121.76 122.42 1qbn s ALA 73 Ca 0.68 0.04 0.16 0.00 0.00 0.00 0.00 51.96 52.84 1qbn s ALA 73 Cb -0.22 -2.74 -0.23 0.00 0.00 0.00 0.00 23.12 19.93 1qbn s ALA 73 CO 0.44 0.19 0.40 -1.13 0.00 0.00 0.00 175.76 175.66 1qbn n SER 74 N 2.59 0.40 -3.71 0.00 3.41 0.25 -4.76 113.62 111.80 1qbn n SER 74 Ca -0.07 0.19 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1qbn n SER 74 Cb 0.51 0.60 -0.09 0.00 -0.26 0.00 0.00 64.21 64.97 1qbn n SER 74 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qbn s LYS 75 N -2.65 0.54 -0.07 4.33 2.20 -1.22 -5.02 119.74 117.86 1qbn s LYS 75 Ca -0.07 0.65 0.04 0.00 -0.36 0.00 0.00 55.97 56.23 1qbn s LYS 75 Cb 0.08 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1qbn s LYS 75 CO 0.83 -0.07 -0.19 -1.12 -0.36 0.00 0.00 175.35 174.45 1qbn s SER 76 N 0.27 2.42 -0.26 1.43 0.01 -1.26 -0.81 113.70 115.50 1qbn s SER 76 Ca -0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1qbn s SER 76 Cb -0.03 -0.93 0.07 0.00 0.21 0.00 0.00 66.02 65.34 1qbn s SER 76 CO 0.00 0.13 0.01 -0.63 0.41 0.00 0.00 173.24 173.16 1qbn s ILE 77 N 0.29 1.28 0.21 1.44 1.01 -0.08 -5.02 121.20 120.33 1qbn s ILE 77 Ca -0.11 -1.26 -0.27 0.00 0.00 0.00 0.00 60.65 59.01 1qbn s ILE 77 Cb -0.15 -1.72 -0.09 0.00 0.01 0.00 0.00 42.46 40.51 1qbn s ILE 77 CO 0.05 -0.30 0.85 -0.69 0.00 0.00 0.00 174.94 174.84 1qbn s VAL 78 N 1.48 4.26 0.26 2.92 1.01 -1.26 -1.40 120.40 127.66 1qbn s VAL 78 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 1qbn s VAL 78 Cb -0.18 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 1qbn s VAL 78 CO -0.11 0.46 1.13 1.57 0.00 0.00 0.00 175.10 178.15 1qbn n HIS 79 N 1.40 1.49 0.04 5.22 -0.00 -0.77 -4.84 115.22 117.77 1qbn n HIS 79 Ca -0.03 0.64 0.20 0.00 0.46 0.00 0.00 57.72 58.99 1qbn n HIS 79 Cb 0.48 -2.30 0.72 0.00 -0.12 0.00 0.00 29.99 28.78 1qbn n HIS 79 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1qbn h PRO 80 N 2.73 0.00 -0.25 1.57 0.13 -1.94 -2.39 132.00 131.85 1qbn h PRO 80 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1qbn h PRO 80 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1qbn h PRO 80 CO 0.65 0.00 -0.03 0.43 -0.23 0.00 0.00 178.00 178.83 1qbn n SER 81 N -4.13 3.24 -4.71 1.44 7.64 -1.26 -5.02 113.62 110.82 1qbn n SER 81 Ca 0.08 -3.27 -0.42 0.00 1.01 0.00 0.00 58.87 56.28 1qbn n SER 81 Cb 0.59 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 1qbn n SER 81 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1qbn s TYR 82 N -2.97 2.78 -0.28 1.43 6.14 -0.90 -4.66 117.35 118.88 1qbn s TYR 82 Ca 0.42 0.34 0.02 0.00 0.64 0.00 0.00 57.07 58.48 1qbn s TYR 82 Cb 0.35 -4.09 0.06 0.00 0.42 0.00 0.00 41.96 38.71 1qbn s TYR 82 CO 0.05 -4.20 -0.07 1.21 0.64 0.00 0.00 175.55 173.18 1qbn s ASN 83 N 1.52 4.57 0.59 4.32 3.84 -0.79 -4.99 114.94 123.99 1qbn s ASN 83 Ca 0.75 -1.49 0.36 0.00 0.21 0.00 0.00 52.86 52.69 1qbn s ASN 83 Cb -0.47 -1.59 1.85 0.00 -0.55 0.00 0.00 41.25 40.49 1qbn s ASN 83 CO 0.33 -0.23 2.19 0.77 -2.79 0.00 0.00 177.10 177.37 1qbn h SER 84 N 7.79 0.00 -0.00 -4.21 4.64 -1.94 0.11 113.55 119.93 1qbn h SER 84 Ca -0.17 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.94 1qbn h SER 84 Cb 1.04 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1qbn h SER 84 CO 0.48 0.04 -0.81 0.78 -0.87 0.00 0.00 176.83 176.45 1qbn h ASN 85 N 0.00 0.72 0.19 4.97 -0.26 -1.97 -3.35 115.58 115.88 1qbn h ASN 85 Ca -0.00 -0.75 0.00 0.00 -0.56 0.00 0.00 56.30 54.99 1qbn h ASN 85 Cb 0.21 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1qbn h ASN 85 CO 0.00 1.37 -1.51 0.35 -1.06 0.00 0.00 177.43 176.58 1qbn n THR 86 N -4.05 0.10 -1.47 2.81 -2.24 -1.16 -4.97 114.28 103.30 1qbn n THR 86 Ca -0.11 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 1qbn n THR 86 Cb 0.77 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 1qbn n THR 86 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qbn n LEU 87 N -2.10 -0.95 -4.75 3.22 4.77 0.36 -5.00 117.00 112.56 1qbn n LEU 87 Ca -0.01 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.80 1qbn n LEU 87 Cb 0.50 -1.82 -0.03 0.00 -2.33 0.00 0.00 43.42 39.73 1qbn n LEU 87 CO 0.44 -0.53 0.88 0.21 -1.33 0.00 0.00 177.39 177.05 1qbn s ASN 88 N -2.82 7.09 -1.07 -1.43 2.47 -1.20 -3.34 114.94 114.64 1qbn s ASN 88 Ca 0.00 2.30 -0.00 0.00 0.42 0.00 0.00 52.86 55.57 1qbn s ASN 88 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1qbn s ASN 88 CO 0.00 -0.34 0.89 0.59 -3.72 0.00 0.00 177.10 174.52 1qbn n ASN 89 N 2.01 -2.23 -4.55 -4.21 4.13 -1.26 -1.89 115.26 107.27 1qbn n ASN 89 Ca 0.03 -0.54 -0.43 0.00 1.68 0.00 0.00 54.58 55.31 1qbn n ASN 89 Cb 0.44 -4.59 -0.00 0.00 -1.54 0.00 0.00 39.78 34.09 1qbn n ASN 89 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1qbn s ASP 90 N -4.16 6.86 -0.18 6.41 2.15 -1.21 -4.31 116.67 122.23 1qbn s ASP 90 Ca 0.03 -2.47 -0.21 0.00 0.43 0.00 0.00 52.55 50.32 1qbn s ASP 90 Cb -0.01 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 40.13 1qbn s ASP 90 CO 0.64 -1.10 0.57 -0.51 -0.17 0.00 0.00 175.17 174.60 1qbn s ILE 91 N 3.66 0.00 -0.00 4.11 2.07 -1.26 -3.92 121.20 125.86 1qbn s ILE 91 Ca 0.50 -0.04 -0.13 0.00 -1.41 0.00 0.00 60.65 59.57 1qbn s ILE 91 Cb 0.02 -0.81 0.02 0.00 0.13 0.00 0.00 42.46 41.81 1qbn s ILE 91 CO 0.04 -0.02 0.27 -0.32 -1.91 0.00 0.00 174.94 173.00 1qbn s MET 92 N -0.03 0.65 -0.05 3.50 -2.45 -0.22 -1.84 119.30 118.87 1qbn s MET 92 Ca -0.03 -0.29 0.03 0.00 -1.25 0.00 0.00 55.69 54.15 1qbn s MET 92 Cb -0.04 0.29 -0.03 0.00 1.25 0.00 0.00 34.83 36.30 1qbn s MET 92 CO 0.02 -0.18 -0.13 -0.51 1.05 0.00 0.00 175.02 175.28 1qbn s LEU 93 N -1.47 2.83 -0.13 4.11 1.43 -0.50 -0.69 118.68 124.26 1qbn s LEU 93 Ca -0.12 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1qbn s LEU 93 Cb -0.05 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1qbn s LEU 93 CO 0.02 0.34 -0.09 -0.63 0.23 0.00 0.00 176.35 176.23 1qbn s ILE 94 N -0.77 1.20 -0.11 -0.59 1.01 0.44 -0.90 121.20 121.48 1qbn s ILE 94 Ca 0.12 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 1qbn s ILE 94 Cb -0.11 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 1qbn s ILE 94 CO 0.01 0.35 0.40 -0.75 0.00 0.00 0.00 174.94 174.95 1qbn s LYS 95 N 1.63 4.21 0.39 2.79 2.20 0.01 -0.99 119.74 129.98 1qbn s LYS 95 Ca 0.04 0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.74 1qbn s LYS 95 Cb -0.13 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.70 1qbn s LYS 95 CO -0.09 0.30 0.95 -0.51 -0.36 0.00 0.00 175.35 175.65 1qbn s LEU 96 N 0.19 4.10 0.26 5.43 1.43 0.33 -0.58 118.68 129.85 1qbn s LEU 96 Ca 0.22 1.76 -0.03 0.00 -1.03 0.00 0.00 54.13 55.05 1qbn s LEU 96 Cb -0.15 -4.33 0.38 0.00 0.03 0.00 0.00 46.19 42.13 1qbn s LEU 96 CO 0.09 -0.25 1.89 0.11 0.23 0.00 0.00 176.35 178.41 1qbn h LYS 97 N 2.41 1.16 -3.97 1.70 6.56 -1.28 -3.42 116.57 119.73 1qbn h LYS 97 Ca -0.48 -0.07 -0.13 0.00 -1.06 0.00 0.00 60.65 58.91 1qbn h LYS 97 Cb 1.19 -0.26 -0.17 0.00 -0.57 0.00 0.00 32.23 32.41 1qbn h LYS 97 CO 0.63 0.77 -0.60 -1.54 -2.06 0.00 0.00 179.45 176.64 1qbn s SER 98 N -5.92 0.28 0.30 0.86 1.04 -1.26 -4.98 113.70 104.02 1qbn s SER 98 Ca -0.13 -0.68 -0.29 0.00 0.48 0.00 0.00 55.95 55.34 1qbn s SER 98 Cb 0.20 0.20 -0.10 0.00 0.10 0.00 0.00 66.02 66.42 1qbn s SER 98 CO 0.81 -0.50 1.30 0.00 0.98 0.00 0.00 173.24 175.83 1qbn s ALA 99 N -2.84 3.50 0.63 5.32 0.00 -1.26 -4.88 121.76 122.23 1qbn s ALA 99 Ca -0.03 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 1qbn s ALA 99 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1qbn s ALA 99 CO -0.06 -0.59 1.07 0.00 0.00 0.00 0.00 175.76 176.19 1qbn s ALA 100 N -0.88 2.66 -0.39 0.00 0.00 0.14 -5.00 121.76 118.28 1qbn s ALA 100 Ca 0.50 0.36 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 1qbn s ALA 100 Cb -0.39 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1qbn s ALA 100 CO 0.49 -1.01 0.50 -1.12 0.00 0.00 0.00 175.76 174.62 1qbn s SER 101 N -2.96 6.26 0.19 0.00 0.01 -1.26 -4.85 113.70 111.09 1qbn s SER 101 Ca 0.63 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 1qbn s SER 101 Cb -0.16 -2.26 -0.08 0.00 0.21 0.00 0.00 66.02 63.73 1qbn s SER 101 CO 0.42 -0.56 0.96 -0.76 0.41 0.00 0.00 173.24 173.71 1qbn s LEU 102 N 2.36 4.58 0.00 2.44 1.43 -1.26 -4.81 118.68 123.42 1qbn s LEU 102 Ca 0.17 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1qbn s LEU 102 Cb -0.16 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1qbn s LEU 102 CO 0.14 0.05 0.00 -0.46 0.23 0.00 0.00 176.35 176.31 1qbn n ASN 103 N 2.02 0.00 0.23 2.29 0.23 0.09 -4.99 115.26 115.13 1qbn n ASN 103 Ca -0.00 -0.34 0.11 0.00 -0.53 0.00 0.00 54.58 53.82 1qbn n ASN 103 Cb 0.48 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.70 1qbn n ASN 103 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1qbn h SER 104 N 0.00 0.00 0.25 0.53 4.64 -2.00 -3.19 113.55 113.78 1qbn h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qbn h SER 104 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qbn h SER 104 CO 0.00 0.19 -1.18 0.54 -0.87 0.00 0.00 176.83 175.52 1qbn n ARG 105 N -3.42 0.27 -3.77 4.77 1.74 -1.26 -4.79 116.66 110.20 1qbn n ARG 105 Ca -0.00 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.75 1qbn n ARG 105 Cb 0.39 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 1qbn n ARG 105 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qbn s VAL 106 N -3.20 0.84 0.05 1.55 1.01 -1.21 -4.38 120.40 115.06 1qbn s VAL 106 Ca 0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1qbn s VAL 106 Cb 0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1qbn s VAL 106 CO 0.84 -0.35 -0.03 0.00 0.00 0.00 0.00 175.10 175.55 1qbn s ALA 107 N 1.69 0.53 0.33 5.51 0.00 -0.72 -0.73 121.76 128.37 1qbn s ALA 107 Ca 0.02 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1qbn s ALA 107 Cb -0.17 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1qbn s ALA 107 CO -0.14 -0.35 0.52 -1.54 0.00 0.00 0.00 175.76 174.25 1qbn s SER 108 N -2.86 6.30 -0.03 0.00 1.04 -1.26 -2.81 113.70 114.07 1qbn s SER 108 Ca 0.06 0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.91 1qbn s SER 108 Cb 0.07 -2.00 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 1qbn s SER 108 CO -0.09 -0.26 -0.11 -0.51 0.98 0.00 0.00 173.24 173.25 1qbn s ILE 109 N -2.26 3.30 0.49 -1.02 1.10 -0.30 -4.88 121.20 117.63 1qbn s ILE 109 Ca 0.39 -0.72 -0.11 0.00 -0.51 0.00 0.00 60.65 59.70 1qbn s ILE 109 Cb -0.09 -2.34 -0.06 0.00 0.15 0.00 0.00 42.46 40.11 1qbn s ILE 109 CO 0.35 0.53 0.87 -0.94 -2.11 0.00 0.00 174.94 173.64 1qbn s SER 110 N -0.96 6.44 0.33 4.50 1.04 -1.26 -4.61 113.70 119.18 1qbn s SER 110 Ca 0.13 1.25 -0.20 0.00 0.48 0.00 0.00 55.95 57.61 1qbn s SER 110 Cb -0.11 -2.38 -0.10 0.00 0.10 0.00 0.00 66.02 63.54 1qbn s SER 110 CO 0.03 -0.57 0.84 -0.76 0.98 0.00 0.00 173.24 173.76 1qbn s LEU 111 N -4.33 4.16 0.53 2.42 1.43 -1.26 -1.19 118.68 120.44 1qbn s LEU 111 Ca 0.53 1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.99 1qbn s LEU 111 Cb -0.10 -4.08 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 1qbn s LEU 111 CO 0.38 -0.16 1.07 -2.16 0.23 0.00 0.00 176.35 175.71 1qbn s PRO 112 N -2.59 3.54 0.00 1.29 0.04 -1.26 -4.83 135.00 131.19 1qbn s PRO 112 Ca 0.53 1.41 0.22 0.00 0.04 0.00 0.00 61.00 63.20 1qbn s PRO 112 Cb -0.13 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1qbn s PRO 112 CO 0.18 -0.66 0.99 0.25 0.04 0.00 0.00 177.00 177.81 1qbn n THR 113 N -1.31 0.00 -3.62 1.26 -2.24 -1.26 -4.97 114.28 102.14 1qbn n THR 113 Ca 0.10 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 1qbn n THR 113 Cb 0.52 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 1qbn n THR 113 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qbn s SER 114 N -3.03 -0.39 0.83 3.42 1.04 -1.26 -5.16 113.70 109.14 1qbn s SER 114 Ca 0.08 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 1qbn s SER 114 Cb 0.16 0.61 0.09 0.00 0.10 0.00 0.00 66.02 66.99 1qbn s SER 114 CO 0.84 -1.07 1.09 0.00 0.98 0.00 0.00 173.24 175.08 1qbn s ALA 116 N -2.96 3.57 0.42 0.00 0.00 -1.26 -5.12 121.76 116.41 1qbn s ALA 116 Ca 0.62 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 1qbn s ALA 116 Cb -0.17 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 21.44 1qbn s ALA 116 CO 0.56 0.68 0.89 -1.12 0.00 0.00 0.00 175.76 176.78 1qbn s SER 117 N -2.59 6.80 0.50 0.00 0.01 -1.26 -5.02 113.70 112.13 1qbn s SER 117 Ca 0.30 1.52 -0.23 0.00 1.31 0.00 0.00 55.95 58.85 1qbn s SER 117 Cb -0.12 -2.48 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 1qbn s SER 117 CO 0.22 -0.38 1.27 0.00 0.41 0.00 0.00 173.24 174.77 1qbn n ALA 118 N -0.84 1.29 0.00 1.44 0.00 -1.26 -2.18 120.51 118.96 1qbn n ALA 118 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1qbn n ALA 118 Cb 0.54 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1qbn n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qbn n GLY 119 N 0.85 2.99 3.74 0.00 0.00 0.12 -4.94 105.19 107.95 1qbn n GLY 119 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1qbn n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qbn s THR 120 N -2.48 2.81 0.11 2.61 2.01 -0.93 -4.65 115.64 115.12 1qbn s THR 120 Ca 0.00 0.68 -0.27 0.00 0.31 0.00 0.00 61.69 62.40 1qbn s THR 120 Cb 0.00 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 1qbn s THR 120 CO 0.00 0.10 0.85 -1.58 -0.69 0.00 0.00 174.62 173.31 1qbn s GLN 121 N -0.24 4.61 0.17 4.92 2.00 -1.26 -0.89 119.66 128.98 1qbn s GLN 121 Ca 0.59 1.25 0.05 0.00 -2.00 0.00 0.00 55.36 55.25 1qbn s GLN 121 Cb -0.40 -3.34 -0.05 0.00 0.80 0.00 0.00 33.01 30.02 1qbn s GLN 121 CO 0.41 0.33 -0.09 0.00 -0.50 0.00 0.00 175.29 175.44 1qbn s LEU 123 N -3.22 2.76 -0.06 0.00 2.96 -0.18 -1.24 118.68 119.71 1qbn s LEU 123 Ca 0.20 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1qbn s LEU 123 Cb 0.03 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1qbn s LEU 123 CO 0.03 0.00 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.34 1qbn s ILE 124 N 1.33 3.51 0.02 6.68 1.01 0.77 -1.33 121.20 133.18 1qbn s ILE 124 Ca 0.04 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 1qbn s ILE 124 Cb -0.14 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1qbn s ILE 124 CO -0.04 0.58 0.15 -0.94 0.00 0.00 0.00 174.94 174.70 1qbn s SER 125 N -0.82 0.05 0.00 3.58 1.04 -1.22 -0.46 113.70 115.87 1qbn s SER 125 Ca 0.12 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1qbn s SER 125 Cb -0.11 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1qbn s SER 125 CO 0.01 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1qbn n GLY 126 N 1.11 -0.14 1.21 7.32 0.00 -0.61 -4.44 105.19 109.64 1qbn n GLY 126 Ca -0.21 -1.01 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 1qbn n GLY 126 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qbn n TRP 127 N -0.29 1.29 -1.57 1.61 8.01 -1.26 -1.82 117.44 123.39 1qbn n TRP 127 Ca 0.00 -1.33 -0.28 0.00 -1.31 0.00 0.00 57.50 54.58 1qbn n TRP 127 Cb 0.00 -0.48 0.21 0.00 -2.01 0.00 0.00 31.31 29.03 1qbn n TRP 127 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qbn n GLY 128 N -0.84 -1.91 3.71 6.99 0.00 -1.25 -4.38 105.19 107.50 1qbn n GLY 128 Ca 0.32 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1qbn n GLY 128 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qbn n ASN 129 N -4.12 2.88 -0.78 1.61 5.15 0.67 -3.20 115.26 117.47 1qbn n ASN 129 Ca 0.15 1.20 0.08 0.00 -0.60 0.00 0.00 54.58 55.41 1qbn n ASN 129 Cb 0.54 -1.50 0.14 0.00 -0.53 0.00 0.00 39.78 38.43 1qbn n ASN 129 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1qbn n THR 130 N 0.31 0.50 -4.51 -0.44 -2.24 -0.17 -0.84 114.28 106.88 1qbn n THR 130 Ca 0.04 -0.75 -0.34 0.00 -2.27 0.00 0.00 64.05 60.73 1qbn n THR 130 Cb 0.37 0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 1qbn n THR 130 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qbn s LYS 131 N -1.17 2.89 0.03 -0.78 -0.14 -1.26 -4.42 119.74 114.90 1qbn s LYS 131 Ca 0.26 -0.49 -0.19 0.00 -1.36 0.00 0.00 55.97 54.19 1qbn s LYS 131 Cb 0.15 -2.69 -0.10 0.00 -1.68 0.00 0.00 37.83 33.51 1qbn s LYS 131 CO 0.21 0.66 1.27 1.03 -0.76 0.00 0.00 175.35 177.76 1qbn h SER 132 N 5.29 -0.57 -3.39 2.83 0.87 -1.94 -3.39 113.55 113.26 1qbn h SER 132 Ca -0.49 0.02 -0.60 0.00 -1.23 0.00 0.00 61.79 59.49 1qbn h SER 132 Cb 1.18 0.15 -0.40 0.00 -0.44 0.00 0.00 62.40 62.89 1qbn h SER 132 CO 0.54 -0.41 -0.76 -0.55 -0.53 0.00 0.00 176.83 175.12 1qbn s SER 133 N -3.00 4.05 0.00 6.23 0.15 -1.26 -4.30 113.70 115.57 1qbn s SER 133 Ca -0.10 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1qbn s SER 133 Cb 0.01 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1qbn s SER 133 CO 0.30 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1qbn n GLY 134 N 4.70 -0.06 2.88 9.45 0.00 -1.26 -5.13 105.19 115.77 1qbn n GLY 134 Ca -0.04 -1.74 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 1qbn n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qbn s THR 135 N -1.61 0.47 -0.30 2.61 2.01 -1.26 -4.60 115.64 112.96 1qbn s THR 135 Ca 0.00 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1qbn s THR 135 Cb 0.00 -0.51 0.17 0.00 0.01 0.00 0.00 72.50 72.17 1qbn s THR 135 CO 0.00 0.21 0.60 -0.55 -0.69 0.00 0.00 174.62 174.19 1qbn s SER 136 N 0.95 -1.22 -0.20 3.53 0.15 -1.26 -5.00 113.70 110.65 1qbn s SER 136 Ca -0.11 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.52 1qbn s SER 136 Cb -0.14 2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 66.27 1qbn s SER 136 CO -0.00 -0.25 0.10 -0.31 1.20 0.00 0.00 173.24 173.98 1qbn s TYR 137 N 2.85 3.32 0.60 3.44 2.02 -1.26 -1.00 117.35 127.32 1qbn s TYR 137 Ca 0.12 0.18 -0.10 0.00 -0.37 0.00 0.00 57.07 56.90 1qbn s TYR 137 Cb -0.14 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1qbn s TYR 137 CO -0.20 0.18 0.98 -1.25 -1.57 0.00 0.00 175.55 173.69 1qbn s PRO 138 N 0.50 3.51 -0.08 -1.71 0.04 -1.26 -4.99 135.00 131.01 1qbn s PRO 138 Ca 0.06 0.60 0.19 0.00 0.04 0.00 0.00 61.00 61.89 1qbn s PRO 138 Cb -0.12 -2.14 -0.26 0.00 0.04 0.00 0.00 34.50 32.02 1qbn s PRO 138 CO 0.00 -0.54 0.38 -0.25 0.04 0.00 0.00 177.00 176.63 1qbn n ASP 139 N -2.67 0.16 -4.80 6.66 8.00 -1.26 -4.90 116.55 117.75 1qbn n ASP 139 Ca 0.05 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 1qbn n ASP 139 Cb 0.55 1.24 -0.06 0.00 -0.02 0.00 0.00 41.12 42.83 1qbn n ASP 139 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1qbn s VAL 140 N -2.99 4.55 0.20 2.53 -7.23 -1.26 -0.32 120.40 115.89 1qbn s VAL 140 Ca -0.08 -0.93 -0.31 0.00 -1.81 0.00 0.00 61.98 58.85 1qbn s VAL 140 Cb 0.10 -3.27 -0.10 0.00 0.56 0.00 0.00 36.38 33.66 1qbn s VAL 140 CO 0.86 -0.01 1.51 -0.22 -0.31 0.00 0.00 175.10 176.93 1qbn s LEU 141 N -2.82 4.37 -0.01 1.32 0.20 -1.21 -4.80 118.68 115.74 1qbn s LEU 141 Ca 0.30 2.64 0.02 0.00 0.69 0.00 0.00 54.13 57.79 1qbn s LEU 141 Cb -0.11 -3.61 -0.03 0.00 -0.43 0.00 0.00 46.19 42.01 1qbn s LEU 141 CO 0.23 -0.77 -0.05 -0.54 -0.29 0.00 0.00 176.35 174.93 1qbn s LYS 142 N 0.46 2.64 0.17 1.98 -0.14 -0.76 -2.21 119.74 121.88 1qbn s LYS 142 Ca 0.65 -0.66 0.09 0.00 -1.36 0.00 0.00 55.97 54.69 1qbn s LYS 142 Cb -0.43 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 1qbn s LYS 142 CO 0.37 0.62 -0.19 0.00 -0.76 0.00 0.00 175.35 175.39 1qbn s LEU 144 N -2.69 -0.32 -0.17 0.00 2.96 0.39 -0.82 118.68 118.02 1qbn s LEU 144 Ca 0.16 1.09 -0.12 0.00 -0.22 0.00 0.00 54.13 55.04 1qbn s LEU 144 Cb -0.06 1.70 -0.05 0.00 0.50 0.00 0.00 46.19 48.29 1qbn s LEU 144 CO 0.07 -0.21 0.23 -0.54 -1.32 0.00 0.00 176.35 174.59 1qbn s LYS 145 N 1.33 4.20 -0.13 1.98 1.02 -1.26 -0.16 119.74 126.72 1qbn s LYS 145 Ca -0.09 -0.01 -0.17 0.00 0.02 0.00 0.00 55.97 55.72 1qbn s LYS 145 Cb -0.07 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1qbn s LYS 145 CO -0.13 0.28 0.44 0.00 -0.92 0.00 0.00 175.35 175.02 1qbn s ALA 146 N 0.36 -1.10 0.39 5.17 0.00 -0.37 -4.97 121.76 121.25 1qbn s ALA 146 Ca 0.14 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.10 1qbn s ALA 146 Cb -0.12 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1qbn s ALA 146 CO 0.02 -0.24 0.71 -1.25 0.00 0.00 0.00 175.76 175.00 1qbn s PRO 147 N -0.21 3.67 0.19 0.00 0.04 -1.26 -0.49 135.00 136.95 1qbn s PRO 147 Ca -0.04 0.25 -0.30 0.00 0.04 0.00 0.00 61.00 60.95 1qbn s PRO 147 Cb -0.03 -2.46 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 1qbn s PRO 147 CO 0.02 -0.01 1.06 0.42 0.04 0.00 0.00 177.00 178.54 1qbn s ILE 148 N -2.39 3.91 0.35 0.56 1.01 -0.06 -1.71 121.20 122.86 1qbn s ILE 148 Ca 0.48 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1qbn s ILE 148 Cb -0.10 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1qbn s ILE 148 CO 0.35 0.32 0.56 -0.76 0.00 0.00 0.00 174.94 175.41 1qbn s LEU 149 N -0.59 3.99 0.55 2.97 1.43 -0.19 0.15 118.68 126.98 1qbn s LEU 149 Ca 0.47 0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 53.84 1qbn s LEU 149 Cb -0.29 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1qbn s LEU 149 CO 0.35 -0.31 1.23 -0.94 0.23 0.00 0.00 176.35 176.91 1qbn s SER 150 N -4.03 5.46 0.30 2.29 1.04 -1.26 -4.64 113.70 112.87 1qbn s SER 150 Ca 0.40 2.45 -0.01 0.00 0.48 0.00 0.00 55.95 59.27 1qbn s SER 150 Cb -0.10 -2.61 0.47 0.00 0.10 0.00 0.00 66.02 63.88 1qbn s SER 150 CO 0.36 -1.41 1.97 0.44 0.98 0.00 0.00 173.24 175.58 1qbn h ASP 151 N 1.32 0.93 -0.73 7.02 3.32 -1.97 -1.87 116.42 124.43 1qbn h ASP 151 Ca -0.50 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.47 1qbn h ASP 151 Cb 1.29 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1qbn h ASP 151 CO 0.57 0.66 0.23 0.77 -1.72 0.00 0.00 179.24 179.75 1qbn h SER 152 N 1.09 1.06 0.22 6.45 4.64 -1.99 -0.62 113.55 124.40 1qbn h SER 152 Ca 0.31 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 61.29 1qbn h SER 152 Cb -0.09 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.71 1qbn h SER 152 CO -0.07 0.99 -0.48 0.28 -0.87 0.00 0.00 176.83 176.67 1qbn h SER 153 N 1.08 0.34 -0.24 4.97 0.02 -1.79 -1.71 113.55 116.22 1qbn h SER 153 Ca 0.24 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1qbn h SER 153 Cb 0.31 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1qbn h SER 153 CO -0.01 0.77 0.09 0.00 -1.14 0.00 0.00 176.83 176.54 1qbn h LYS 155 N 0.23 0.13 -0.03 0.00 1.57 -1.10 -2.54 116.57 114.82 1qbn h LYS 155 Ca 0.08 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1qbn h LYS 155 Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1qbn h LYS 155 CO -0.00 0.54 -0.65 0.77 -0.57 0.00 0.00 179.45 179.54 1qbn h SER 156 N 0.11 0.16 0.50 0.86 0.02 -1.26 -2.67 113.55 111.26 1qbn h SER 156 Ca 0.01 -0.10 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 1qbn h SER 156 Cb 0.82 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1qbn h SER 156 CO 0.06 0.76 -0.81 0.00 -1.14 0.00 0.00 176.83 175.71 1qbn h ALA 157 N 1.23 0.59 -2.41 3.77 0.00 -1.16 -3.38 119.26 117.90 1qbn h ALA 157 Ca -0.01 -0.68 -0.59 0.00 0.00 0.00 0.00 54.91 53.63 1qbn h ALA 157 Cb 1.16 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 1qbn h ALA 157 CO 0.09 0.86 -0.88 0.66 0.00 0.00 0.00 179.25 179.99 1qbn n TYR 158 N -3.72 0.63 -1.78 0.00 4.02 -0.99 -4.99 117.16 110.34 1qbn n TYR 158 Ca -0.04 -3.68 -0.42 0.00 -0.01 0.00 0.00 57.90 53.76 1qbn n TYR 158 Cb 0.76 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.89 1qbn n TYR 158 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1qbn s PRO 159 N -0.86 4.13 0.00 -0.72 0.02 -1.02 -1.96 135.00 134.60 1qbn s PRO 159 Ca 0.33 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1qbn s PRO 159 Cb 0.07 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1qbn s PRO 159 CO -0.15 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1qbn n GLY 160 N 2.97 0.48 0.00 0.52 0.00 -1.26 -4.85 105.19 103.06 1qbn n GLY 160 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1qbn n GLY 160 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qbn n GLN 161 N -1.76 4.08 -3.41 1.61 6.02 -0.83 -4.98 117.38 118.12 1qbn n GLN 161 Ca 0.00 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.60 1qbn n GLN 161 Cb 0.08 -0.92 -0.07 0.00 1.02 0.00 0.00 30.24 30.35 1qbn n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qbn s ILE 162 N -1.82 5.22 0.49 5.09 -1.09 -1.24 -5.02 121.20 122.83 1qbn s ILE 162 Ca 0.03 0.72 0.08 0.00 -2.23 0.00 0.00 60.65 59.25 1qbn s ILE 162 Cb 0.07 -3.72 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1qbn s ILE 162 CO 0.36 0.30 0.51 0.42 -1.23 0.00 0.00 174.94 175.29 1qbn s THR 163 N 0.98 2.31 -1.29 2.92 -4.23 -1.26 -5.00 115.64 110.08 1qbn s THR 163 Ca 0.20 -1.26 0.12 0.00 -1.18 0.00 0.00 61.69 59.57 1qbn s THR 163 Cb -0.14 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.31 1qbn s THR 163 CO 0.07 0.00 1.34 -1.54 -0.54 0.00 0.00 174.62 173.95 1qbn n SER 164 N -1.81 0.00 -1.46 3.99 3.41 -1.26 -2.27 113.62 114.22 1qbn n SER 164 Ca 0.06 0.23 0.10 0.00 -0.26 0.00 0.00 58.87 58.99 1qbn n SER 164 Cb 0.62 -0.35 0.33 0.00 -0.26 0.00 0.00 64.21 64.55 1qbn n SER 164 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qbn n ASN 165 N -1.35 4.30 -4.25 4.04 3.02 -1.26 -4.93 115.26 114.83 1qbn n ASN 165 Ca 0.05 -2.30 -0.17 0.00 -0.03 0.00 0.00 54.58 52.13 1qbn n ASN 165 Cb 0.11 -0.54 -0.11 0.00 -0.61 0.00 0.00 39.78 38.64 1qbn n ASN 165 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1qbn s MET 166 N -1.62 1.04 0.05 3.52 -1.94 -0.96 -0.71 119.30 118.68 1qbn s MET 166 Ca 0.48 -1.29 -0.07 0.00 -1.71 0.00 0.00 55.69 53.10 1qbn s MET 166 Cb 0.29 -0.86 -0.01 0.00 2.01 0.00 0.00 34.83 36.27 1qbn s MET 166 CO 0.26 0.15 0.14 -0.59 -0.01 0.00 0.00 175.02 174.97 1qbn s PHE 167 N -2.39 0.16 0.01 -0.03 -0.12 -0.61 -4.80 117.98 110.20 1qbn s PHE 167 Ca 0.11 -0.48 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 1qbn s PHE 167 Cb -0.03 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 1qbn s PHE 167 CO 0.03 -0.43 0.06 0.00 -0.05 0.00 0.00 175.22 174.83 1qbn s ALA 169 N -1.20 -0.09 0.00 0.00 0.00 -0.95 -1.02 121.76 118.50 1qbn s ALA 169 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1qbn s ALA 169 Cb -0.12 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1qbn s ALA 169 CO 0.14 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1qbn n GLY 170 N 1.50 0.62 2.82 0.00 0.00 -0.69 -2.78 105.19 106.66 1qbn n GLY 170 Ca -0.23 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 1qbn n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qbn s TYR 171 N -3.17 0.81 0.52 1.61 1.51 -1.26 -4.30 117.35 113.07 1qbn s TYR 171 Ca 0.00 -0.26 0.24 0.00 -1.01 0.00 0.00 57.07 56.04 1qbn s TYR 171 Cb 0.00 -0.83 1.52 0.00 -0.11 0.00 0.00 41.96 42.54 1qbn s TYR 171 CO 0.00 -0.32 2.16 -0.07 -1.11 0.00 0.00 175.55 176.21 1qbn h LEU 172 N 8.04 0.00 -0.00 -1.29 3.38 -1.95 -0.92 115.31 122.57 1qbn h LEU 172 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1qbn h LEU 172 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1qbn h LEU 172 CO 0.33 0.05 0.00 -1.84 0.09 0.00 0.00 178.44 177.07 1qbn n GLU 173 N -4.01 0.00 0.00 1.13 0.00 -1.26 0.81 120.64 117.31 1qbn n GLU 173 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1qbn n GLU 173 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.07 1qbn n GLU 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qbn n GLY 174 N 1.10 -1.81 3.78 -1.84 0.00 -0.35 -4.51 105.19 101.57 1qbn n GLY 174 Ca 0.06 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1qbn n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbn n GLY 175 N 0.00 2.93 2.81 -0.02 0.00 0.85 -4.86 105.19 106.90 1qbn n GLY 175 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1qbn n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbn s LYS 176 N -0.04 0.36 0.04 1.61 1.02 -1.26 -3.82 119.74 117.65 1qbn s LYS 176 Ca 0.00 0.08 -0.28 0.00 0.02 0.00 0.00 55.97 55.79 1qbn s LYS 176 Cb 0.00 -0.57 0.10 0.00 -0.52 0.00 0.00 37.83 36.84 1qbn s LYS 176 CO 0.00 -0.16 1.21 0.34 -0.92 0.00 0.00 175.35 175.82 1qbn s ASP 177 N 1.17 -0.04 0.70 2.83 3.68 -0.54 -4.31 116.67 120.16 1qbn s ASP 177 Ca -0.08 -0.28 -0.02 0.00 2.13 0.00 0.00 52.55 54.30 1qbn s ASP 177 Cb -0.13 0.25 0.11 0.00 -1.45 0.00 0.00 42.92 41.70 1qbn s ASP 177 CO -0.02 -0.49 0.97 -0.94 0.13 0.00 0.00 175.17 174.83 1qbn s SER 178 N -3.31 4.47 0.18 -0.34 1.04 -1.26 -0.63 113.70 113.86 1qbn s SER 178 Ca 0.20 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.32 1qbn s SER 178 Cb 0.01 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.92 1qbn s SER 178 CO -0.01 -1.77 0.43 0.00 0.98 0.00 0.00 173.24 172.88 1qbn n GLN 180 N -0.29 2.24 0.00 0.00 6.02 -1.26 -1.50 117.38 122.58 1qbn n GLN 180 Ca -0.04 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 1qbn n GLN 180 Cb 0.31 -2.56 0.00 0.00 1.02 0.00 0.00 30.24 29.00 1qbn n GLN 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qbn n GLY 181 N 3.13 2.63 0.10 1.08 0.00 -1.26 -0.24 105.19 110.63 1qbn n GLY 181 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1qbn n GLY 181 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qbn h ASP 182 N 0.30 0.00 -1.88 1.61 3.32 -1.58 -3.34 116.42 114.84 1qbn h ASP 182 Ca 0.00 -0.12 -0.65 0.00 0.02 0.00 0.00 57.03 56.29 1qbn h ASP 182 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1qbn h ASP 182 CO 0.00 0.06 0.07 -1.20 -1.72 0.00 0.00 179.24 176.44 1qbn n SER 183 N -2.37 0.77 0.00 6.45 7.64 -1.26 -2.00 113.62 122.85 1qbn n SER 183 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1qbn n SER 183 Cb 0.47 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1qbn n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbn n GLY 184 N 1.73 2.33 3.70 0.23 0.00 -0.37 -0.31 105.19 112.50 1qbn n GLY 184 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1qbn n GLY 184 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qbn s GLY 185 N -2.06 1.63 0.46 -0.02 0.00 -0.85 -3.29 107.32 103.19 1qbn s GLY 185 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.63 1qbn s GLY 185 CO 0.00 0.57 0.96 2.56 0.00 0.00 0.00 173.10 177.19 1qbn s PRO 186 N -4.84 4.13 -0.27 2.90 0.04 -1.26 -0.99 135.00 134.71 1qbn s PRO 186 Ca 0.64 1.06 -0.00 0.00 0.04 0.00 0.00 61.00 62.73 1qbn s PRO 186 Cb -0.19 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.26 1qbn s PRO 186 CO 0.58 -0.11 0.04 0.08 0.04 0.00 0.00 177.00 177.63 1qbn s VAL 187 N -2.33 1.13 -0.19 -0.36 1.01 -0.51 -3.43 120.40 115.73 1qbn s VAL 187 Ca 0.61 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1qbn s VAL 187 Cb -0.09 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1qbn s VAL 187 CO 0.19 -0.43 -0.01 -0.69 0.00 0.00 0.00 175.10 174.16 1qbn s VAL 188 N 1.53 3.91 -0.10 2.92 1.01 -0.44 -0.99 120.40 128.24 1qbn s VAL 188 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1qbn s VAL 188 Cb -0.18 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1qbn s VAL 188 CO -0.15 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.31 1qbn n SER 190 N 4.60 -2.40 -0.04 0.00 7.64 -1.26 -1.93 113.62 120.23 1qbn n SER 190 Ca -0.16 -0.86 -0.00 0.00 1.01 0.00 0.00 58.87 58.86 1qbn n SER 190 Cb 0.50 -3.70 -0.00 0.00 -1.01 0.00 0.00 64.21 60.00 1qbn n SER 190 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbn n GLY 191 N -1.68 0.36 3.26 0.23 0.00 -1.26 -5.03 105.19 101.07 1qbn n GLY 191 Ca -0.16 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1qbn n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbn s LYS 192 N -0.86 1.05 -0.45 1.61 -0.14 -0.81 -4.30 119.74 115.85 1qbn s LYS 192 Ca 0.00 -1.13 -0.28 0.00 -1.36 0.00 0.00 55.97 53.19 1qbn s LYS 192 Cb 0.00 -1.23 0.01 0.00 -1.68 0.00 0.00 37.83 34.93 1qbn s LYS 192 CO 0.00 0.28 1.43 -1.17 -0.76 0.00 0.00 175.35 175.13 1qbn s LEU 193 N -1.94 3.53 -0.09 3.17 2.96 -0.33 -1.19 118.68 124.80 1qbn s LEU 193 Ca 0.05 0.70 0.18 0.00 -0.22 0.00 0.00 54.13 54.84 1qbn s LEU 193 Cb -0.10 -3.41 -0.27 0.00 0.50 0.00 0.00 46.19 42.91 1qbn s LEU 193 CO 0.04 -1.52 0.29 0.00 -1.32 0.00 0.00 176.35 173.83 1qbn n GLN 194 N 8.24 0.77 -3.99 1.98 1.13 -0.16 -4.19 117.38 121.16 1qbn n GLN 194 Ca 0.16 -0.11 -0.10 0.00 -1.94 0.00 0.00 57.00 55.01 1qbn n GLN 194 Cb 0.48 -1.46 -0.07 0.00 0.11 0.00 0.00 30.24 29.30 1qbn n GLN 194 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1qbn s GLY 195 N -4.63 0.60 -0.06 1.08 0.00 -0.76 -1.86 107.32 101.69 1qbn s GLY 195 Ca -0.08 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1qbn s GLY 195 CO 0.78 -0.86 -0.11 -0.42 0.00 0.00 0.00 173.10 172.49 1qbn s ILE 196 N -4.00 1.05 0.00 0.90 1.01 -1.11 -1.42 121.20 117.64 1qbn s ILE 196 Ca 0.20 -0.43 -0.31 0.00 0.00 0.00 0.00 60.65 60.12 1qbn s ILE 196 Cb 0.03 -0.97 -0.09 0.00 0.01 0.00 0.00 42.46 41.44 1qbn s ILE 196 CO 0.03 0.34 1.98 0.52 0.00 0.00 0.00 174.94 177.80 1qbn n VAL 197 N 3.83 0.72 0.00 2.92 0.31 -0.16 -0.97 118.33 124.99 1qbn n VAL 197 Ca -0.23 -0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 63.93 1qbn n VAL 197 Cb 0.52 -2.27 -0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1qbn n VAL 197 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1qbn n SER 198 N 7.68 0.54 -2.87 4.52 2.88 -0.97 -1.24 113.62 124.17 1qbn n SER 198 Ca 0.21 0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 1qbn n SER 198 Cb 0.39 -0.27 0.02 0.00 -0.75 0.00 0.00 64.21 63.60 1qbn n SER 198 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1qbn s TRP 199 N -1.51 0.37 0.03 0.66 1.48 -0.67 -4.92 118.94 114.38 1qbn s TRP 199 Ca -0.03 -0.97 -0.22 0.00 -1.06 0.00 0.00 56.10 53.82 1qbn s TRP 199 Cb 0.00 0.65 0.07 0.00 -1.16 0.00 0.00 33.47 33.04 1qbn s TRP 199 CO 0.05 -1.52 0.99 0.41 -4.06 0.00 0.00 176.95 172.82 1qbn n GLY 200 N -0.55 0.41 3.02 3.67 0.00 -1.26 -0.90 105.19 109.57 1qbn n GLY 200 Ca -0.07 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1qbn n GLY 200 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qbn s SER 201 N -3.23 4.75 0.44 1.61 0.15 -1.26 -5.00 113.70 111.15 1qbn s SER 201 Ca 0.23 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 54.70 1qbn s SER 201 Cb -0.01 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1qbn s SER 201 CO 0.01 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1qbn n GLY 202 N 4.22 -0.19 3.00 9.45 0.00 -1.26 -4.69 105.19 115.72 1qbn n GLY 202 Ca 0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1qbn n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbn n ALA 204 N 3.72 -0.51 -1.87 0.00 0.00 -1.26 -4.60 120.51 115.99 1qbn n ALA 204 Ca -0.21 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 1qbn n ALA 204 Cb 0.55 -1.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1qbn n ALA 204 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qbn s GLN 205 N -4.40 4.31 0.31 0.00 -1.52 -1.26 -0.11 119.66 116.99 1qbn s GLN 205 Ca 0.00 1.10 -0.29 0.00 -1.95 0.00 0.00 55.36 54.22 1qbn s GLN 205 Cb 0.00 -2.45 -0.10 0.00 -0.22 0.00 0.00 33.01 30.24 1qbn s GLN 205 CO 0.00 0.12 1.38 0.21 -0.25 0.00 0.00 175.29 176.75 1qbn s LYS 206 N -2.73 4.28 -2.06 2.91 2.20 -1.26 -2.65 119.74 120.43 1qbn s LYS 206 Ca 0.56 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.47 1qbn s LYS 206 Cb -0.13 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1qbn s LYS 206 CO 0.17 -0.33 0.00 0.09 -0.36 0.00 0.00 175.35 174.92 1qbn n ASN 207 N 1.34 -5.61 -3.41 1.43 3.02 0.24 -4.91 115.26 107.35 1qbn n ASN 207 Ca 0.03 0.34 -0.26 0.00 -0.03 0.00 0.00 54.58 54.65 1qbn n ASN 207 Cb 0.41 -4.86 -0.09 0.00 -0.61 0.00 0.00 39.78 34.63 1qbn n ASN 207 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qbn n LYS 208 N -2.59 0.98 -1.55 3.52 5.02 -1.09 -4.74 118.16 117.71 1qbn n LYS 208 Ca -0.22 -3.62 -0.30 0.00 -2.02 0.00 0.00 58.31 52.15 1qbn n LYS 208 Cb 0.68 -1.70 0.10 0.00 -0.02 0.00 0.00 35.03 34.09 1qbn n LYS 208 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qbn s PRO 209 N -0.99 1.97 0.50 1.97 0.04 -1.26 -4.39 135.00 132.84 1qbn s PRO 209 Ca 0.33 0.59 -0.21 0.00 0.04 0.00 0.00 61.00 61.75 1qbn s PRO 209 Cb 0.09 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 1qbn s PRO 209 CO -0.14 -1.69 1.16 0.20 0.04 0.00 0.00 177.00 176.57 1qbn s GLY 210 N -3.92 2.73 -0.13 0.56 0.00 -1.12 -4.66 107.32 100.78 1qbn s GLY 210 Ca 0.61 0.91 -0.00 0.00 0.00 0.00 0.00 44.72 46.24 1qbn s GLY 210 CO 0.54 1.33 -0.13 0.14 0.00 0.00 0.00 173.10 174.98 1qbn s VAL 211 N -1.62 3.06 0.04 1.40 1.01 -0.08 -2.23 120.40 121.97 1qbn s VAL 211 Ca 0.68 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1qbn s VAL 211 Cb -0.27 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1qbn s VAL 211 CO 0.32 0.53 -0.18 -0.31 0.00 0.00 0.00 175.10 175.46 1qbn s TYR 212 N 0.33 1.55 0.18 5.22 2.02 0.37 -1.67 117.35 125.33 1qbn s TYR 212 Ca -0.11 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 1qbn s TYR 212 Cb -0.16 -0.93 -0.09 0.00 -0.40 0.00 0.00 41.96 40.39 1qbn s TYR 212 CO 0.06 0.06 1.36 0.99 -1.57 0.00 0.00 175.55 176.45 1qbn s THR 213 N -0.79 3.15 -0.88 -0.71 2.01 -0.14 -1.58 115.64 116.71 1qbn s THR 213 Ca 0.05 0.90 -0.21 0.00 0.31 0.00 0.00 61.69 62.73 1qbn s THR 213 Cb -0.08 -3.57 0.09 0.00 0.01 0.00 0.00 72.50 68.94 1qbn s THR 213 CO 0.01 0.11 1.19 -0.75 -0.69 0.00 0.00 174.62 174.49 1qbn s LYS 214 N 0.31 3.45 0.37 4.92 2.20 0.12 -2.73 119.74 128.38 1qbn s LYS 214 Ca 0.60 -1.26 0.11 0.00 -0.36 0.00 0.00 55.97 55.06 1qbn s LYS 214 Cb -0.38 -4.82 0.88 0.00 -1.51 0.00 0.00 37.83 32.00 1qbn s LYS 214 CO 0.36 -1.93 1.88 0.28 -0.36 0.00 0.00 175.35 175.57 1qbn h VAL 215 N 6.14 0.81 -0.00 4.02 2.07 -1.68 -2.20 116.25 125.41 1qbn h VAL 215 Ca 0.03 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1qbn h VAL 215 Cb 1.03 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1qbn h VAL 215 CO 1.22 0.11 0.09 0.00 0.02 0.00 0.00 177.57 179.02 1qbn n ASN 217 N -3.03 0.13 -0.23 0.00 3.02 -0.83 -4.09 115.26 110.22 1qbn n ASN 217 Ca -0.03 0.17 0.02 0.00 -0.03 0.00 0.00 54.58 54.71 1qbn n ASN 217 Cb 0.15 -0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.06 1qbn n ASN 217 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1qbn n TYR 218 N -1.41 0.10 -0.35 3.10 4.01 -0.14 -4.77 117.16 117.70 1qbn n TYR 218 Ca 0.09 -0.25 -0.01 0.00 -0.16 0.00 0.00 57.90 57.57 1qbn n TYR 218 Cb 0.32 -0.02 0.12 0.00 -0.31 0.00 0.00 39.34 39.45 1qbn n TYR 218 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1qbn h VAL 219 N 0.91 1.18 -0.26 -0.72 2.07 -1.70 0.17 116.25 117.90 1qbn h VAL 219 Ca 0.00 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 66.94 1qbn h VAL 219 Cb 0.40 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1qbn h VAL 219 CO 0.00 0.22 -0.49 0.77 0.02 0.00 0.00 177.57 178.09 1qbn h SER 220 N 1.21 0.78 -0.28 0.57 4.64 -1.90 -0.03 113.55 118.53 1qbn h SER 220 Ca 0.37 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1qbn h SER 220 Cb -0.03 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1qbn h SER 220 CO -0.11 1.13 0.14 -0.25 -0.87 0.00 0.00 176.83 176.88 1qbn h TRP 221 N 0.56 0.40 -0.04 4.77 7.01 -1.80 0.38 115.95 127.24 1qbn h TRP 221 Ca 0.03 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1qbn h TRP 221 Cb 1.05 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 1qbn h TRP 221 CO 0.05 0.36 -0.03 0.82 -2.79 0.00 0.00 178.44 176.86 1qbn h ILE 222 N 0.33 0.91 -0.51 2.65 2.04 -0.44 -0.62 117.51 121.87 1qbn h ILE 222 Ca 0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1qbn h ILE 222 Cb 0.10 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1qbn h ILE 222 CO -0.01 0.00 0.16 0.11 0.00 0.00 0.00 178.15 178.41 1qbn h LYS 223 N -0.03 0.79 -0.42 2.37 1.57 -0.82 -1.82 116.57 118.20 1qbn h LYS 223 Ca 0.03 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1qbn h LYS 223 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1qbn h LYS 223 CO -0.06 0.73 -0.25 1.96 -0.57 0.00 0.00 179.45 181.27 1qbn h GLN 224 N 0.70 0.92 -0.19 3.15 4.20 -0.87 -2.61 115.11 120.41 1qbn h GLN 224 Ca 0.17 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1qbn h GLN 224 Cb 0.27 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1qbn h GLN 224 CO -0.01 1.07 0.07 1.15 -0.67 0.00 0.00 178.83 180.45 1qbn h THR 225 N 0.74 1.16 -0.83 -0.54 2.02 -0.98 -2.64 112.91 111.84 1qbn h THR 225 Ca 0.09 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1qbn h THR 225 Cb 0.82 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1qbn h THR 225 CO 0.07 0.15 0.44 0.40 0.37 0.00 0.00 175.52 176.95 1qbn h ILE 226 N 0.15 1.25 0.00 3.11 5.03 -1.37 -2.52 117.51 123.15 1qbn h ILE 226 Ca 0.06 -0.64 -0.04 0.00 -0.12 0.00 0.00 64.86 64.13 1qbn h ILE 226 Cb 0.17 0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.11 1qbn h ILE 226 CO -0.01 0.28 -0.17 0.00 -0.68 0.00 0.00 178.15 177.58 1qbn h ALA 227 N 1.23 1.21 -0.37 1.87 0.00 -1.34 -3.00 119.26 118.86 1qbn h ALA 227 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qbn h ALA 227 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qbn h ALA 227 CO -0.04 0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.85 1qbn n SER 228 N -3.59 3.18 0.00 0.00 7.64 -0.97 -5.11 113.62 114.77 1qbn n SER 228 Ca -0.01 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1qbn n SER 228 Cb 0.31 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1qbn n SER 228 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62