#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 3.61 3.01 2.98 0.00 -1.26 -4.99 105.19 108.54 1qo6 n GLY 2 Ca 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1qo6 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qo6 s HIS 3 N -2.70 0.09 -0.07 1.61 5.04 -1.26 -2.77 115.29 115.24 1qo6 s HIS 3 Ca 0.39 -0.19 -0.01 0.00 -1.54 0.00 0.00 55.06 53.71 1qo6 s HIS 3 Cb 0.36 -0.08 0.03 0.00 0.04 0.00 0.00 32.58 32.92 1qo6 s HIS 3 CO -0.07 -0.18 -0.00 0.00 -2.34 0.00 0.00 174.74 172.15 1qo6 s VAL 5 N 1.87 1.26 -0.01 0.00 0.11 -1.26 0.27 120.40 122.64 1qo6 s VAL 5 Ca 0.03 -0.79 -0.23 0.00 -2.93 0.00 0.00 61.98 58.07 1qo6 s VAL 5 Cb -0.12 -1.07 -0.15 0.00 -1.53 0.00 0.00 36.38 33.51 1qo6 s VAL 5 CO -0.05 0.27 1.05 0.71 -3.33 0.00 0.00 175.10 173.75 1qo6 h THR 6 N 4.66 0.51 0.00 5.04 1.35 -1.93 -3.48 112.91 119.06 1qo6 h THR 6 Ca -0.37 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1qo6 h THR 6 Cb 1.16 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1qo6 h THR 6 CO 0.47 0.10 0.00 -0.67 -0.25 0.00 0.00 175.52 175.17 1qo6 n ASP 7 N -5.14 0.00 -0.88 5.36 2.03 -1.26 -4.99 116.55 111.67 1qo6 n ASP 7 Ca -0.09 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.22 1qo6 n ASP 7 Cb 0.28 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.78 -0.01 0.00 1.67 2.88 -1.26 -5.01 113.62 111.11 1qo6 n SER 8 Ca 0.00 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 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 0.00 3.10 0.46 0.00 -1.26 -5.10 105.19 102.38 1qo6 n GLY 9 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1qo6 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 10 N -1.40 0.02 -0.82 1.61 1.01 -1.26 -5.07 120.40 114.50 1qo6 s VAL 10 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1qo6 s VAL 10 Cb 0.00 -0.33 0.22 0.00 0.00 0.00 0.00 36.38 36.27 1qo6 s VAL 10 CO 0.00 -0.08 0.78 0.52 0.00 0.00 0.00 175.10 176.32 1qo6 n VAL 11 N 2.60 2.79 -1.15 2.92 0.31 -1.26 -2.79 118.33 121.75 1qo6 n VAL 11 Ca -0.15 -5.17 -0.29 0.00 -0.01 0.00 0.00 64.34 58.72 1qo6 n VAL 11 Cb 0.58 -2.24 0.15 0.00 -0.91 0.00 0.00 33.84 31.42 1qo6 n VAL 11 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1qo6 s TYR 12 N -1.81 2.19 -0.03 3.52 2.02 0.77 -4.83 117.35 119.18 1qo6 s TYR 12 Ca 0.30 1.20 0.03 0.00 -0.37 0.00 0.00 57.07 58.23 1qo6 s TYR 12 Cb -0.00 -3.19 -0.00 0.00 -0.40 0.00 0.00 41.96 38.37 1qo6 s TYR 12 CO -0.09 -2.61 -0.12 -1.12 -1.57 0.00 0.00 175.55 170.04 1qo6 s SER 13 N -3.36 1.51 -0.06 2.29 0.01 -1.26 0.98 113.70 113.82 1qo6 s SER 13 Ca 0.64 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.66 1qo6 s SER 13 Cb -0.19 -0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 1qo6 s SER 13 CO 0.58 0.10 0.17 0.55 0.41 0.00 0.00 173.24 175.05 1qo6 n VAL 14 N 3.18 0.00 0.00 3.43 3.14 -1.11 0.15 118.33 127.11 1qo6 n VAL 14 Ca -0.18 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1qo6 n VAL 14 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 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 0.53 0.75 2.71 7.55 0.00 0.32 -4.93 105.19 112.12 1qo6 n GLY 15 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 4.79 -0.67 1.61 0.00 0.40 -4.91 117.12 118.34 1qo6 n MET 16 Ca 0.00 -4.40 -0.14 0.00 -0.00 0.00 0.00 57.70 53.16 1qo6 n MET 16 Cb 0.00 -2.42 0.08 0.00 0.00 0.00 0.00 33.22 30.88 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 -0.18 -1.16 -0.32 2.12 10.64 -1.26 -4.59 117.38 122.62 1qo6 n GLN 17 Ca 0.49 -0.34 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 1qo6 n GLN 17 Cb 0.26 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 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 -3.79 -0.26 -4.50 2.61 2.14 0.16 -4.95 117.44 108.86 1qo6 n TRP 18 Ca 0.03 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.36 1qo6 n TRP 18 Cb 0.28 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.61 1qo6 n TRP 18 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1qo6 s LEU 19 N 0.00 1.58 -0.13 5.67 2.01 -1.26 -2.16 118.68 124.39 1qo6 s LEU 19 Ca 0.00 -0.27 -0.01 0.00 0.01 0.00 0.00 54.13 53.85 1qo6 s LEU 19 Cb 0.00 -0.77 -0.02 0.00 0.01 0.00 0.00 46.19 45.40 1qo6 s LEU 19 CO 0.00 0.02 -0.09 -0.75 1.01 0.00 0.00 176.35 176.54 1qo6 s LYS 20 N 0.74 3.35 0.00 1.70 2.47 0.68 -4.86 119.74 123.82 1qo6 s LYS 20 Ca -0.13 -0.61 0.00 0.00 -1.56 0.00 0.00 55.97 53.67 1qo6 s LYS 20 Cb -0.15 -2.71 0.00 0.00 -1.46 0.00 0.00 37.83 33.50 1qo6 s LYS 20 CO 0.03 0.31 0.00 2.41 0.16 0.00 0.00 175.35 178.26 1qo6 n THR 21 N 3.26 0.00 -2.52 3.43 -1.04 -1.26 0.14 114.28 116.30 1qo6 n THR 21 Ca -0.18 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.43 1qo6 n THR 21 Cb 0.53 0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 69.20 1qo6 n THR 21 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1qo6 s GLN 22 N -1.54 3.65 0.00 -2.82 -0.21 -1.26 -4.16 119.66 113.31 1qo6 s GLN 22 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 53.93 1qo6 s GLN 22 Cb 0.00 -5.41 0.00 0.00 1.00 0.00 0.00 33.01 28.60 1qo6 s GLN 22 CO 0.00 -2.38 0.00 0.41 -2.12 0.00 0.00 175.29 171.20 1qo6 n GLY 23 N 6.21 -2.02 1.70 3.09 0.00 -1.26 -5.05 105.19 107.86 1qo6 n GLY 23 Ca 0.41 0.60 0.00 0.00 0.00 0.00 0.00 46.02 47.03 1qo6 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 24 N -1.88 0.09 0.14 1.61 3.02 -1.26 -5.08 115.26 111.89 1qo6 n ASN 24 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1qo6 n ASN 24 Cb 0.00 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1qo6 n LYS 25 N -3.00 0.00 -3.68 3.52 2.85 -1.26 -5.13 118.16 111.46 1qo6 n LYS 25 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1qo6 n LYS 25 Cb 0.09 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.35 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 -1.62 0.21 -0.04 -1.58 1.11 -1.26 -4.78 119.66 111.71 1qo6 s GLN 26 Ca 0.00 0.76 0.01 0.00 0.01 0.00 0.00 55.36 56.14 1qo6 s GLN 26 Cb 0.00 0.01 0.02 0.00 -1.01 0.00 0.00 33.01 32.04 1qo6 s GLN 26 CO 0.00 -0.24 -0.03 1.41 0.01 0.00 0.00 175.29 176.44 1qo6 s MET 27 N 2.12 0.60 -0.23 2.91 1.75 0.36 -0.73 119.30 126.08 1qo6 s MET 27 Ca -0.02 -0.03 -0.10 0.00 -1.25 0.00 0.00 55.69 54.29 1qo6 s MET 27 Cb -0.11 -0.68 -0.05 0.00 2.84 0.00 0.00 34.83 36.83 1qo6 s MET 27 CO -0.10 -0.10 0.13 -1.17 -0.65 0.00 0.00 175.02 173.14 1qo6 s LEU 28 N 0.95 4.02 -0.01 4.11 2.96 -0.95 0.25 118.68 130.01 1qo6 s LEU 28 Ca -0.11 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1qo6 s LEU 28 Cb -0.14 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1qo6 s LEU 28 CO -0.01 0.08 -0.02 0.00 -1.32 0.00 0.00 176.35 175.09 1qo6 s THR 30 N -1.04 -0.03 -0.66 0.00 2.01 -0.08 0.38 115.64 116.23 1qo6 s THR 30 Ca 0.18 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 1qo6 s THR 30 Cb -0.11 -0.53 0.17 0.00 0.01 0.00 0.00 72.50 72.04 1qo6 s THR 30 CO 0.09 0.04 0.58 0.00 -0.69 0.00 0.00 174.62 174.64 1qo6 n LEU 32 N 4.44 0.00 0.09 0.00 -0.00 -1.14 0.12 117.00 120.51 1qo6 n LEU 32 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.96 1qo6 n LEU 32 Cb 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.86 1qo6 n LEU 32 CO 0.41 0.00 0.28 1.23 -0.00 0.00 0.00 177.39 179.31 1qo6 h GLY 33 N 0.00 0.10 1.14 1.47 0.00 -1.96 -3.27 103.07 100.54 1qo6 h GLY 33 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 1qo6 h GLY 33 CO 0.00 0.15 -0.24 3.45 0.00 0.00 0.00 176.54 179.90 1qo6 h ASN 34 N 0.05 1.01 0.00 0.19 -1.07 -1.98 -3.49 115.58 110.29 1qo6 h ASN 34 Ca -0.02 -0.40 0.00 0.00 0.07 0.00 0.00 56.30 55.95 1qo6 h ASN 34 Cb 1.47 -0.28 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1qo6 h ASN 34 CO 0.12 1.19 0.00 0.61 0.07 0.00 0.00 177.43 179.42 1qo6 n GLY 35 N -0.08 -1.35 2.93 9.14 0.00 -1.23 -5.11 105.19 109.49 1qo6 n GLY 35 Ca -0.00 0.59 -0.12 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 -0.50 -0.02 1.61 1.01 -1.26 -2.89 120.40 118.34 1qo6 s VAL 36 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1qo6 s VAL 36 Cb 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1qo6 s VAL 36 CO 0.00 -0.08 -0.21 -0.55 0.00 0.00 0.00 175.10 174.27 1qo6 s SER 37 N 2.48 2.42 0.21 3.32 0.15 0.49 -4.96 113.70 117.81 1qo6 s SER 37 Ca 0.07 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1qo6 s SER 37 Cb -0.15 -0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 1qo6 s SER 37 CO -0.13 0.25 0.00 0.00 1.20 0.00 0.00 173.24 174.56 1qo6 s GLN 39 N -3.89 2.25 -0.31 0.00 -0.21 0.07 -4.96 119.66 112.62 1qo6 s GLN 39 Ca 0.27 -0.55 -0.28 0.00 0.02 0.00 0.00 55.36 54.82 1qo6 s GLN 39 Cb 0.06 -2.01 0.01 0.00 1.00 0.00 0.00 33.01 32.07 1qo6 s GLN 39 CO 0.07 -0.16 1.02 -2.00 -2.12 0.00 0.00 175.29 172.10 1qo6 s GLU 40 N 1.28 4.07 0.00 2.91 2.12 -1.26 -2.25 118.70 125.58 1qo6 s GLU 40 Ca 0.00 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.35 1qo6 s GLU 40 Cb -0.14 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.53 1qo6 s GLU 40 CO -0.07 -0.83 0.00 2.41 -0.54 0.00 0.00 175.26 176.23 1qo6 n THR 41 N 5.74 0.00 -1.19 -1.70 -1.04 0.09 -4.29 114.28 111.89 1qo6 n THR 41 Ca 0.11 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.05 1qo6 n THR 41 Cb 0.47 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 1qo6 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qo6 n ALA 42 N 0.00 -0.10 -0.14 2.41 0.00 -1.24 -4.72 120.51 116.71 1qo6 n ALA 42 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 1qo6 n ALA 42 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.77 -0.22 -4.40 0.00 0.24 -1.26 -4.69 118.33 105.23 1qo6 n VAL 43 Ca -0.07 1.76 0.00 0.00 -2.04 0.00 0.00 64.34 63.99 1qo6 n VAL 43 Cb 0.24 -2.27 0.00 0.00 -1.47 0.00 0.00 33.84 30.34 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1qo6 n THR 44 N -3.73 0.00 -4.35 3.34 -1.04 -1.26 -4.74 114.28 102.50 1qo6 n THR 44 Ca 0.01 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 1qo6 n THR 44 Cb 0.09 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.49 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1qo6 s GLN 45 N 0.00 1.34 -0.19 -2.82 -0.21 -1.26 -5.06 119.66 111.45 1qo6 s GLN 45 Ca 0.00 -1.63 -0.08 0.00 0.02 0.00 0.00 55.36 53.67 1qo6 s GLN 45 Cb 0.00 -0.96 0.08 0.00 1.00 0.00 0.00 33.01 33.13 1qo6 s GLN 45 CO 0.00 0.08 0.43 0.95 -2.12 0.00 0.00 175.29 174.63 1qo6 s THR 46 N -3.12 -0.41 -0.23 -0.19 -4.23 -1.26 -4.52 115.64 101.68 1qo6 s THR 46 Ca 0.24 0.13 0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1qo6 s THR 46 Cb 0.02 -0.67 -0.16 0.00 1.34 0.00 0.00 72.50 73.03 1qo6 s THR 46 CO 0.07 0.05 -0.18 0.00 -0.54 0.00 0.00 174.62 174.03 1qo6 n TYR 47 N 4.95 0.00 0.00 3.99 0.18 -1.26 -4.19 117.16 120.84 1qo6 n TYR 47 Ca -0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.64 1qo6 n TYR 47 Cb 0.52 -0.89 0.00 0.00 -0.38 0.00 0.00 39.34 38.59 1qo6 n TYR 47 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qo6 n GLY 48 N 2.35 1.57 5.18 -7.48 0.00 -1.26 -2.31 105.19 103.24 1qo6 n GLY 48 Ca -0.40 0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.94 0.00 -0.02 0.00 -1.26 -2.31 105.19 103.54 1qo6 n GLY 49 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1qo6 n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 50 N 5.56 0.12 0.00 1.61 5.03 0.41 -4.80 115.26 123.19 1qo6 n ASN 50 Ca 0.00 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.40 1qo6 n ASN 50 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1qo6 n SER 51 N -0.03 0.27 -0.93 6.41 2.88 -0.77 -4.48 113.62 116.98 1qo6 n SER 51 Ca 0.00 -0.91 -0.12 0.00 -1.33 0.00 0.00 58.87 56.51 1qo6 n SER 51 Cb 0.45 0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.89 1qo6 n SER 51 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1qo6 n ASN 52 N -0.03 -4.35 -0.28 -3.46 2.85 -1.14 -4.13 115.26 104.72 1qo6 n ASN 52 Ca 0.00 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1qo6 n ASN 52 Cb 0.16 -2.94 0.00 0.00 1.24 0.00 0.00 39.78 38.24 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qo6 n GLY 53 N -1.50 0.59 3.55 8.20 0.00 -0.98 -4.30 105.19 110.75 1qo6 n GLY 53 Ca -0.12 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.98 1.83 -0.06 1.61 2.02 -1.26 -4.82 118.70 116.04 1qo6 s GLU 54 Ca 0.00 -2.03 -0.30 0.00 0.02 0.00 0.00 54.97 52.67 1qo6 s GLU 54 Cb 0.00 -1.32 -0.05 0.00 0.10 0.00 0.00 34.13 32.86 1qo6 s GLU 54 CO 0.00 -0.10 1.60 -2.14 0.02 0.00 0.00 175.26 174.64 1qo6 s PRO 55 N -3.78 4.19 0.00 0.39 0.02 -1.26 -4.71 135.00 129.85 1qo6 s PRO 55 Ca 0.36 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1qo6 s PRO 55 Cb 0.09 -3.93 0.00 0.00 0.02 0.00 0.00 34.50 30.69 1qo6 s PRO 55 CO 0.17 -0.81 0.00 0.00 -0.33 0.00 0.00 177.00 176.03 1qo6 n VAL 57 N -1.51 0.65 -2.75 0.00 3.14 0.75 -4.61 118.33 113.99 1qo6 n VAL 57 Ca 0.00 -1.94 -0.22 0.00 -2.96 0.00 0.00 64.34 59.22 1qo6 n VAL 57 Cb 0.00 1.14 0.03 0.00 -1.06 0.00 0.00 33.84 33.94 1qo6 n VAL 57 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1qo6 s LEU 58 N -3.57 3.41 -0.10 6.55 1.02 -1.26 -3.85 118.68 120.88 1qo6 s LEU 58 Ca 0.19 0.17 -0.29 0.00 0.02 0.00 0.00 54.13 54.22 1qo6 s LEU 58 Cb 0.36 -3.04 -0.05 0.00 0.02 0.00 0.00 46.19 43.49 1qo6 s LEU 58 CO -0.08 -0.97 1.70 -2.16 0.02 0.00 0.00 176.35 174.85 1qo6 s PRO 59 N -4.71 4.02 0.55 1.29 0.04 -1.26 -4.95 135.00 129.99 1qo6 s PRO 59 Ca 0.53 2.08 0.06 0.00 0.04 0.00 0.00 61.00 63.71 1qo6 s PRO 59 Cb -0.10 -4.03 0.06 0.00 0.04 0.00 0.00 34.50 30.46 1qo6 s PRO 59 CO 0.39 -1.04 0.50 1.97 0.04 0.00 0.00 177.00 178.86 1qo6 n PHE 60 N 7.76 -0.97 -4.64 0.56 1.16 -0.92 -4.88 117.46 115.52 1qo6 n PHE 60 Ca 0.19 -2.27 -0.28 0.00 -1.87 0.00 0.00 57.45 53.21 1qo6 n PHE 60 Cb 0.43 -0.47 -0.17 0.00 -1.61 0.00 0.00 39.48 37.67 1qo6 n PHE 60 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1qo6 s THR 61 N -2.69 1.52 -0.06 1.97 2.01 -1.26 -1.91 115.64 115.22 1qo6 s THR 61 Ca 0.38 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 1qo6 s THR 61 Cb -0.03 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.14 1qo6 s THR 61 CO 0.24 0.44 0.15 -0.47 -0.69 0.00 0.00 174.62 174.29 1qo6 s TYR 62 N 0.77 -0.17 0.00 4.92 5.04 -0.59 -4.82 117.35 122.51 1qo6 s TYR 62 Ca -0.11 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 1qo6 s TYR 62 Cb -0.16 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.14 1qo6 s TYR 62 CO 0.02 -0.13 0.00 0.09 -1.34 0.00 0.00 175.55 174.19 1qo6 n ASN 63 N 3.67 -3.46 0.00 4.32 3.02 -1.26 -1.88 115.26 119.68 1qo6 n ASN 63 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1qo6 n ASN 63 Cb 0.55 -2.09 0.00 0.00 -0.61 0.00 0.00 39.78 37.63 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qo6 n GLY 64 N -0.98 1.63 0.00 7.41 0.00 -1.26 -5.07 105.19 106.92 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 -1.47 1.28 -4.14 1.61 1.85 -0.78 -5.09 116.66 109.91 1qo6 n ARG 65 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 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 0.86 0.72 -0.07 8.89 2.01 -1.26 -1.54 115.64 125.26 1qo6 s THR 66 Ca 0.00 -1.60 -0.04 0.00 0.31 0.00 0.00 61.69 60.36 1qo6 s THR 66 Cb 0.00 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 71.26 1qo6 s THR 66 CO 0.00 -0.64 0.16 -0.36 -0.69 0.00 0.00 174.62 173.09 1qo6 s PHE 67 N -2.63 -0.19 -0.35 4.92 0.40 -0.80 -4.96 117.98 114.37 1qo6 s PHE 67 Ca 0.04 0.51 0.08 0.00 -0.60 0.00 0.00 56.93 56.95 1qo6 s PHE 67 Cb -0.02 -0.02 0.61 0.00 0.51 0.00 0.00 43.02 44.10 1qo6 s PHE 67 CO -0.02 -0.15 1.69 0.66 0.70 0.00 0.00 175.22 178.10 1qo6 n TYR 68 N 3.86 2.05 -2.91 0.36 4.02 -1.26 -2.16 117.16 121.12 1qo6 n TYR 68 Ca -0.22 -1.59 0.00 0.00 -0.01 0.00 0.00 57.90 56.07 1qo6 n TYR 68 Cb 0.54 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 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 -0.95 0.00 -4.79 7.72 2.88 -1.26 -4.65 113.62 112.57 1qo6 n SER 69 Ca 0.44 -0.06 -0.34 0.00 -1.33 0.00 0.00 58.87 57.58 1qo6 n SER 69 Cb 1.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 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 -2.18 0.00 -0.72 0.00 -1.32 -0.89 -4.89 115.64 105.64 1qo6 s THR 71 Ca 0.67 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.19 1qo6 s THR 71 Cb -0.18 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.10 1qo6 s THR 71 CO 0.31 0.00 1.00 0.35 -2.21 0.00 0.00 174.62 174.07 1qo6 n THR 72 N 0.81 3.30 -0.09 5.08 -2.24 -1.26 -0.45 114.28 119.44 1qo6 n THR 72 Ca -0.17 -5.49 -0.12 0.00 -2.27 0.00 0.00 64.05 55.99 1qo6 n THR 72 Cb 0.58 -1.86 -0.05 0.00 -2.10 0.00 0.00 70.33 66.90 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 0.53 0.51 -3.54 -0.78 -0.58 -1.26 -4.80 120.64 110.72 1qo6 n GLU 73 Ca 0.31 0.41 -0.27 0.00 -0.42 0.00 0.00 57.16 57.19 1qo6 n GLU 73 Cb 0.38 -1.60 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.50 3.80 0.00 0.62 0.00 -1.26 -5.08 105.19 104.76 1qo6 n GLY 74 Ca -0.19 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.55 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 1.63 1.67 -0.03 1.61 0.00 -1.26 -5.06 116.66 115.22 1qo6 n ARG 75 Ca 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.09 1qo6 n ARG 75 Cb 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 32.74 1qo6 n ARG 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qo6 n GLN 76 N -0.36 0.66 0.00 2.89 -0.00 -1.26 -4.88 117.38 114.42 1qo6 n GLN 76 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.00 57.02 1qo6 n GLN 76 Cb 0.00 -1.61 0.00 0.00 -0.00 0.00 0.00 30.24 28.63 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1qo6 n ASP 77 N -2.66 0.00 0.00 2.61 2.03 -1.26 -5.08 116.55 112.18 1qo6 n ASP 77 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1qo6 n ASP 77 Cb 0.90 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 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 2.69 0.00 3.43 0.27 0.00 -1.26 -5.16 105.19 105.16 1qo6 n GLY 78 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.77 -0.52 1.61 0.09 -1.26 -5.01 115.29 112.98 1qo6 s HIS 79 Ca 0.00 -0.40 -0.37 0.00 -0.00 0.00 0.00 55.06 54.29 1qo6 s HIS 79 Cb 0.00 -1.75 -0.15 0.00 -0.00 0.00 0.00 32.58 30.68 1qo6 s HIS 79 CO 0.00 -0.02 2.27 1.28 -0.00 0.00 0.00 174.74 178.27 1qo6 n LEU 80 N 2.95 1.36 -4.62 0.89 4.32 -1.26 -4.63 117.00 116.00 1qo6 n LEU 80 Ca -0.18 0.40 -0.29 0.00 -0.02 0.00 0.00 56.01 55.93 1qo6 n LEU 80 Cb 0.52 -1.10 -0.09 0.00 -1.62 0.00 0.00 43.42 41.13 1qo6 n LEU 80 CO 0.28 -0.80 -0.38 -1.66 -1.22 0.00 0.00 177.39 173.61 1qo6 s TRP 81 N 7.46 2.81 0.04 -1.77 1.48 0.41 0.26 118.94 129.63 1qo6 s TRP 81 Ca 1.17 -0.12 0.02 0.00 -1.06 0.00 0.00 56.10 56.11 1qo6 s TRP 81 Cb -1.10 -1.44 -0.02 0.00 -1.16 0.00 0.00 33.47 29.75 1qo6 s TRP 81 CO 0.53 0.46 -0.08 0.00 -4.06 0.00 0.00 176.95 173.81 1qo6 s SER 83 N -1.58 7.33 0.00 0.00 1.04 -1.26 0.19 113.70 119.42 1qo6 s SER 83 Ca -0.10 1.60 0.28 0.00 0.48 0.00 0.00 55.95 58.21 1qo6 s SER 83 Cb -0.10 -2.55 1.06 0.00 0.10 0.00 0.00 66.02 64.54 1qo6 s SER 83 CO 0.00 -0.20 1.79 0.35 0.98 0.00 0.00 173.24 176.16 1qo6 n THR 84 N 3.69 0.00 -3.73 2.02 -2.24 -1.01 0.27 114.28 113.28 1qo6 n THR 84 Ca 0.04 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1qo6 n THR 84 Cb 0.51 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1qo6 n THR 84 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qo6 s THR 85 N -2.87 0.06 0.03 4.28 -1.32 -1.26 -4.42 115.64 110.14 1qo6 s THR 85 Ca 0.17 -0.79 -0.13 0.00 -1.21 0.00 0.00 61.69 59.74 1qo6 s THR 85 Cb 0.19 -1.41 -0.06 0.00 -1.51 0.00 0.00 72.50 69.71 1qo6 s THR 85 CO 0.56 -0.26 1.20 0.28 -2.21 0.00 0.00 174.62 174.18 1qo6 h SER 86 N 2.35 -0.52 -0.36 8.08 0.02 -1.90 -3.28 113.55 117.93 1qo6 h SER 86 Ca -0.32 0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 60.33 1qo6 h SER 86 Cb 1.25 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 1qo6 h SER 86 CO 0.44 -0.22 1.13 -3.20 -1.14 0.00 0.00 176.83 173.84 1qo6 n ASN 87 N -3.45 2.81 0.12 3.07 2.85 -1.26 -4.62 115.26 114.77 1qo6 n ASN 87 Ca -0.04 -2.67 -0.18 0.00 -0.11 0.00 0.00 54.58 51.58 1qo6 n ASN 87 Cb 0.16 -1.64 -0.15 0.00 1.24 0.00 0.00 39.78 39.39 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1qo6 h TYR 88 N 9.66 0.62 0.00 1.20 3.20 -1.91 -2.47 116.97 127.28 1qo6 h TYR 88 Ca 0.23 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1qo6 h TYR 88 Cb 0.91 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.15 1qo6 h TYR 88 CO 1.19 1.36 0.00 0.39 -1.64 0.00 0.00 178.16 179.46 1qo6 n GLU 89 N -3.58 0.43 -0.09 1.82 1.02 -1.26 0.98 120.64 119.97 1qo6 n GLU 89 Ca -0.11 0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 56.93 1qo6 n GLU 89 Cb 1.05 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.90 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1qo6 n GLN 90 N -1.16 0.40 0.02 3.49 -0.06 -1.19 -4.68 117.38 114.19 1qo6 n GLN 90 Ca 0.12 0.14 -0.02 0.00 -2.00 0.00 0.00 57.00 55.24 1qo6 n GLN 90 Cb 0.12 -1.21 -0.10 0.00 -4.06 0.00 0.00 30.24 24.98 1qo6 n GLN 90 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1qo6 n ASP 91 N -3.49 0.84 -3.67 1.69 -0.08 -0.93 -4.99 116.55 105.91 1qo6 n ASP 91 Ca -0.33 0.38 -0.22 0.00 -1.51 0.00 0.00 54.79 53.10 1qo6 n ASP 91 Cb 0.78 0.14 0.05 0.00 2.34 0.00 0.00 41.12 44.43 1qo6 n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qo6 n GLN 92 N -2.92 -5.74 -4.01 -0.67 1.13 0.28 -4.98 117.38 100.47 1qo6 n GLN 92 Ca -0.12 0.69 -0.30 0.00 -1.94 0.00 0.00 57.00 55.33 1qo6 n GLN 92 Cb 0.90 -5.46 -0.16 0.00 0.11 0.00 0.00 30.24 25.62 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 -5.99 2.17 0.33 -1.09 0.00 -1.26 -5.05 119.74 108.85 1qo6 s LYS 93 Ca 0.18 -0.71 0.03 0.00 0.00 0.00 0.00 55.97 55.47 1qo6 s LYS 93 Cb -0.09 -2.28 -0.04 0.00 0.00 0.00 0.00 37.83 35.43 1qo6 s LYS 93 CO 0.79 -0.34 0.13 1.52 0.00 0.00 0.00 175.35 177.45 1qo6 s TYR 94 N 1.44 1.70 -0.01 1.78 -0.85 -1.26 -2.42 117.35 117.73 1qo6 s TYR 94 Ca 0.02 -1.26 0.03 0.00 -0.52 0.00 0.00 57.07 55.34 1qo6 s TYR 94 Cb -0.15 -1.01 -0.01 0.00 0.38 0.00 0.00 41.96 41.18 1qo6 s TYR 94 CO -0.09 -0.36 -0.09 -1.54 -1.52 0.00 0.00 175.55 171.95 1qo6 s SER 95 N -3.44 1.09 1.26 -0.18 1.04 0.52 0.16 113.70 114.14 1qo6 s SER 95 Ca 0.33 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.39 1qo6 s SER 95 Cb 0.05 -0.13 0.31 0.00 0.10 0.00 0.00 66.02 66.35 1qo6 s SER 95 CO 0.16 0.11 1.09 -0.36 0.98 0.00 0.00 173.24 175.22 1qo6 s PHE 96 N -0.19 0.08 -0.01 5.02 0.08 -0.98 0.18 117.98 122.17 1qo6 s PHE 96 Ca 0.03 0.43 -0.07 0.00 0.12 0.00 0.00 56.93 57.44 1qo6 s PHE 96 Cb -0.04 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1qo6 s PHE 96 CO -0.00 -4.17 0.14 0.00 -0.10 0.00 0.00 175.22 171.08 1qo6 n THR 98 N 1.67 0.00 0.00 0.00 -2.24 -1.26 -4.38 114.28 108.06 1qo6 n THR 98 Ca -0.21 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1qo6 n THR 98 Cb 0.56 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qo6 n ASP 99 N 0.00 0.00 0.00 3.42 -0.08 -1.26 -1.98 116.55 116.65 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1qo6 n HIS 100 N 0.00 0.00 -0.05 -0.67 -0.00 -1.26 -5.25 115.22 107.99 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