#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 0.77 3.70 2.72 0.00 -1.26 -4.90 105.19 106.22 1qo6 n GLY 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1qo6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 3 N 1.41 2.18 0.25 1.61 3.76 -1.26 -2.97 115.29 120.27 1qo6 s HIS 3 Ca 0.00 1.44 0.10 0.00 -0.15 0.00 0.00 55.06 56.45 1qo6 s HIS 3 Cb 0.00 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.49 1qo6 s HIS 3 CO 0.00 -2.42 -0.04 0.00 -0.85 0.00 0.00 174.74 171.43 1qo6 s VAL 5 N -2.22 0.05 -0.21 0.00 -7.23 -1.26 0.25 120.40 109.79 1qo6 s VAL 5 Ca 0.30 -0.64 -0.04 0.00 -1.81 0.00 0.00 61.98 59.79 1qo6 s VAL 5 Cb -0.07 -1.30 0.11 0.00 0.56 0.00 0.00 36.38 35.69 1qo6 s VAL 5 CO 0.19 -0.25 0.32 0.28 -0.31 0.00 0.00 175.10 175.32 1qo6 s THR 6 N -3.83 -0.50 0.00 5.32 -1.32 -1.25 -4.85 115.64 109.21 1qo6 s THR 6 Ca 0.05 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1qo6 s THR 6 Cb 0.01 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.29 1qo6 s THR 6 CO -0.09 -0.10 0.00 0.47 -2.21 0.00 0.00 174.62 172.69 1qo6 n ASP 7 N 5.35 -4.18 -2.81 8.08 8.00 -1.26 -2.53 116.55 127.20 1qo6 n ASP 7 Ca -0.05 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.28 1qo6 n ASP 7 Cb 0.50 -2.34 0.06 0.00 -0.02 0.00 0.00 41.12 39.32 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qo6 n SER 8 N -0.55 -5.09 0.00 -2.24 3.41 -1.26 -4.91 113.62 102.98 1qo6 n SER 8 Ca 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1qo6 n SER 8 Cb 0.28 -3.89 0.00 0.00 -0.26 0.00 0.00 64.21 60.34 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qo6 n GLY 9 N -1.60 0.83 2.88 5.00 0.00 -1.05 -4.98 105.19 106.26 1qo6 n GLY 9 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1qo6 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 10 N -0.54 -0.59 -1.18 1.61 1.01 -1.26 -5.03 120.40 114.42 1qo6 s VAL 10 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1qo6 s VAL 10 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 1qo6 s VAL 10 CO 0.00 -0.33 1.90 0.52 0.00 0.00 0.00 175.10 177.19 1qo6 n VAL 11 N 5.29 2.35 -1.13 2.92 0.31 -1.26 -3.79 118.33 123.03 1qo6 n VAL 11 Ca 0.01 -2.41 -0.30 0.00 -0.01 0.00 0.00 64.34 61.63 1qo6 n VAL 11 Cb 0.49 -2.23 0.22 0.00 -0.91 0.00 0.00 33.84 31.41 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 9.05 0.91 -0.02 3.52 2.02 0.70 -4.79 117.35 128.74 1qo6 s TYR 12 Ca 0.64 0.61 0.04 0.00 -0.37 0.00 0.00 57.07 57.99 1qo6 s TYR 12 Cb 0.02 -3.43 -0.01 0.00 -0.40 0.00 0.00 41.96 38.15 1qo6 s TYR 12 CO 0.12 -3.62 -0.13 -1.12 -1.57 0.00 0.00 175.55 169.23 1qo6 s SER 13 N -3.82 1.63 -0.47 2.29 0.01 -1.26 0.44 113.70 112.52 1qo6 s SER 13 Ca 0.70 -0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.66 1qo6 s SER 13 Cb -0.12 -0.29 -0.16 0.00 0.21 0.00 0.00 66.02 65.67 1qo6 s SER 13 CO 0.56 0.14 1.09 0.55 0.41 0.00 0.00 173.24 176.00 1qo6 n VAL 14 N 2.93 0.00 -0.64 3.43 3.14 -1.16 0.63 118.33 126.66 1qo6 n VAL 14 Ca -0.16 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1qo6 n VAL 14 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 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 2.96 0.50 0.05 7.55 0.00 -0.33 -5.02 105.19 110.89 1qo6 n GLY 15 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.31 0.83 -1.43 1.61 0.00 0.20 -5.02 117.12 113.00 1qo6 n MET 16 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 57.70 57.68 1qo6 n MET 16 Cb 0.16 -1.46 -0.04 0.00 0.00 0.00 0.00 33.22 31.88 1qo6 n MET 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1qo6 n GLN 17 N -2.43 -3.25 -3.98 2.12 6.02 -1.26 -4.98 117.38 109.61 1qo6 n GLN 17 Ca -0.17 2.58 0.01 0.00 -0.01 0.00 0.00 57.00 59.41 1qo6 n GLN 17 Cb 0.81 -3.50 0.02 0.00 1.02 0.00 0.00 30.24 28.59 1qo6 n GLN 17 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 1qo6 s TRP 18 N -4.88 0.04 -0.16 1.08 -2.14 -0.81 -4.99 118.94 107.09 1qo6 s TRP 18 Ca 0.00 -0.23 -0.06 0.00 2.66 0.00 0.00 56.10 58.47 1qo6 s TRP 18 Cb 0.00 0.60 -0.04 0.00 -3.10 0.00 0.00 33.47 30.93 1qo6 s TRP 18 CO 0.00 -0.44 0.04 -0.51 -2.66 0.00 0.00 176.95 173.38 1qo6 s LEU 19 N -3.75 3.72 -0.09 -4.66 2.01 -1.26 -2.51 118.68 112.14 1qo6 s LEU 19 Ca 0.28 0.09 0.03 0.00 0.01 0.00 0.00 54.13 54.54 1qo6 s LEU 19 Cb -0.01 -1.92 -0.01 0.00 0.01 0.00 0.00 46.19 44.26 1qo6 s LEU 19 CO 0.01 0.23 -0.18 -0.75 1.01 0.00 0.00 176.35 176.67 1qo6 s LYS 20 N 0.04 2.98 -0.08 1.70 2.47 0.51 -4.85 119.74 122.50 1qo6 s LYS 20 Ca 0.04 -0.77 0.01 0.00 -1.56 0.00 0.00 55.97 53.69 1qo6 s LYS 20 Cb -0.12 -2.42 0.02 0.00 -1.46 0.00 0.00 37.83 33.84 1qo6 s LYS 20 CO 0.01 0.32 -0.09 0.95 0.16 0.00 0.00 175.35 176.70 1qo6 s THR 21 N 0.03 1.01 0.07 3.43 -4.23 -1.26 0.24 115.64 114.92 1qo6 s THR 21 Ca -0.07 -0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1qo6 s THR 21 Cb -0.15 -0.98 -0.30 0.00 1.34 0.00 0.00 72.50 72.42 1qo6 s THR 21 CO 0.05 0.34 1.11 1.56 -0.54 0.00 0.00 174.62 177.14 1qo6 h GLN 22 N 7.52 0.32 0.00 3.99 4.20 -1.95 -3.48 115.11 125.70 1qo6 h GLN 22 Ca -0.31 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 57.86 1qo6 h GLN 22 Cb 1.16 0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.14 1qo6 h GLN 22 CO 0.44 1.26 0.00 0.41 -0.67 0.00 0.00 178.83 180.27 1qo6 n GLY 23 N 1.57 0.61 0.00 3.46 0.00 -1.26 -4.99 105.19 104.58 1qo6 n GLY 23 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 4.05 -1.26 -5.15 115.26 114.51 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1qo6 n ASN 24 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1qo6 n LYS 25 N 0.00 1.57 -4.32 1.20 2.85 -1.26 -5.16 118.16 113.03 1qo6 n LYS 25 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1qo6 n LYS 25 Cb 0.00 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.22 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 1.70 1.21 0.09 -1.58 -0.21 -1.26 -4.49 119.66 115.11 1qo6 s GLN 26 Ca 0.00 -0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.23 1qo6 s GLN 26 Cb 0.00 -1.09 -0.03 0.00 1.00 0.00 0.00 33.01 32.88 1qo6 s GLN 26 CO 0.00 -0.04 -0.22 1.41 -2.12 0.00 0.00 175.29 174.32 1qo6 s MET 27 N 0.85 1.25 -0.10 2.91 1.75 0.65 0.11 119.30 126.72 1qo6 s MET 27 Ca -0.12 -1.14 0.00 0.00 -1.25 0.00 0.00 55.69 53.18 1qo6 s MET 27 Cb -0.15 -1.52 -0.02 0.00 2.84 0.00 0.00 34.83 35.98 1qo6 s MET 27 CO 0.01 0.36 -0.09 -1.17 -0.65 0.00 0.00 175.02 173.48 1qo6 s LEU 28 N -1.74 2.98 0.10 4.11 2.96 0.20 0.19 118.68 127.49 1qo6 s LEU 28 Ca 0.08 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1qo6 s LEU 28 Cb -0.10 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1qo6 s LEU 28 CO 0.04 0.27 -0.10 0.00 -1.32 0.00 0.00 176.35 175.23 1qo6 s THR 30 N -2.48 0.02 -0.41 0.00 2.01 0.49 -1.92 115.64 113.34 1qo6 s THR 30 Ca 0.07 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 1qo6 s THR 30 Cb -0.03 -0.82 0.06 0.00 0.01 0.00 0.00 72.50 71.72 1qo6 s THR 30 CO 0.00 -0.08 0.27 0.00 -0.69 0.00 0.00 174.62 174.12 1qo6 n LEU 32 N 4.99 0.00 0.00 0.00 -0.00 -1.08 -1.18 117.00 119.72 1qo6 n LEU 32 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1qo6 n LEU 32 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1qo6 n LEU 32 CO 0.40 0.00 -0.05 0.61 -0.00 0.00 0.00 177.39 178.35 1qo6 n GLY 33 N 3.69 0.00 0.14 1.47 0.00 -1.26 -4.33 105.19 104.90 1qo6 n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qo6 n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qo6 h ASN 34 N 0.00 0.00 0.00 1.61 -1.07 -1.97 -3.34 115.58 110.82 1qo6 h ASN 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1qo6 h ASN 34 Cb 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.34 1qo6 h ASN 34 CO 0.00 0.59 0.00 0.61 0.07 0.00 0.00 177.43 178.70 1qo6 n GLY 35 N 0.57 0.42 2.86 9.14 0.00 -1.26 -5.03 105.19 111.89 1qo6 n GLY 35 Ca -0.00 0.35 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 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 2.06 0.46 0.07 1.61 1.01 -1.26 -2.63 120.40 121.72 1qo6 s VAL 36 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.03 1qo6 s VAL 36 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1qo6 s VAL 36 CO 0.00 0.22 -0.24 -0.55 0.00 0.00 0.00 175.10 174.54 1qo6 s SER 37 N 1.17 3.43 0.01 3.32 0.15 0.24 -4.94 113.70 117.07 1qo6 s SER 37 Ca -0.07 -0.58 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 1qo6 s SER 37 Cb -0.14 -0.38 0.02 0.00 -1.71 0.00 0.00 66.02 63.81 1qo6 s SER 37 CO -0.01 0.23 0.29 0.00 1.20 0.00 0.00 173.24 174.95 1qo6 s GLN 39 N -1.76 1.25 0.23 0.00 0.74 0.41 -4.94 119.66 115.58 1qo6 s GLN 39 Ca -0.11 -0.26 -0.30 0.00 0.05 0.00 0.00 55.36 54.75 1qo6 s GLN 39 Cb -0.04 -1.10 -0.09 0.00 1.10 0.00 0.00 33.01 32.87 1qo6 s GLN 39 CO 0.01 -0.02 1.35 -1.83 -0.55 0.00 0.00 175.29 174.26 1qo6 s GLU 40 N 0.76 4.35 0.00 1.67 -1.05 -1.26 -0.63 118.70 122.54 1qo6 s GLU 40 Ca -0.13 2.15 0.00 0.00 -0.15 0.00 0.00 54.97 56.84 1qo6 s GLU 40 Cb -0.15 -3.16 0.00 0.00 -0.44 0.00 0.00 34.13 30.38 1qo6 s GLU 40 CO 0.02 -0.30 0.00 2.41 0.95 0.00 0.00 175.26 178.34 1qo6 n THR 41 N 2.39 0.00 -1.77 1.83 -1.04 0.29 -4.65 114.28 111.33 1qo6 n THR 41 Ca 0.06 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.06 1qo6 n THR 41 Cb 0.42 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.92 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 -3.16 -3.77 2.41 0.00 -1.22 -4.82 120.51 109.96 1qo6 n ALA 42 Ca 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 53.44 53.83 1qo6 n ALA 42 Cb 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1qo6 n VAL 43 N 0.33 0.00 -4.04 0.00 3.14 -1.26 -4.96 118.33 111.53 1qo6 n VAL 43 Ca -0.07 -0.36 0.05 0.00 -2.96 0.00 0.00 64.34 61.00 1qo6 n VAL 43 Cb 0.11 -0.24 0.01 0.00 -1.06 0.00 0.00 33.84 32.66 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1qo6 s THR 44 N -0.75 0.00 0.50 1.55 -1.32 -1.26 -5.00 115.64 109.36 1qo6 s THR 44 Ca 0.03 -0.01 0.09 0.00 -1.21 0.00 0.00 61.69 60.59 1qo6 s THR 44 Cb -0.00 -2.99 0.05 0.00 -1.51 0.00 0.00 72.50 68.04 1qo6 s THR 44 CO 0.02 0.00 0.66 -1.10 -2.21 0.00 0.00 174.62 171.99 1qo6 s GLN 45 N -2.00 2.56 -0.28 7.08 -0.21 -1.26 -4.92 119.66 120.62 1qo6 s GLN 45 Ca 0.33 -1.46 -0.15 0.00 0.02 0.00 0.00 55.36 54.09 1qo6 s GLN 45 Cb 0.00 -2.67 0.09 0.00 1.00 0.00 0.00 33.01 31.43 1qo6 s GLN 45 CO -0.03 -0.56 0.69 0.95 -2.12 0.00 0.00 175.29 174.23 1qo6 s THR 46 N -2.52 -0.13 -0.01 -0.19 -4.23 -1.26 -4.53 115.64 102.77 1qo6 s THR 46 Ca 0.57 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1qo6 s THR 46 Cb -0.07 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.78 1qo6 s THR 46 CO 0.35 0.00 0.00 -0.72 -0.54 0.00 0.00 174.62 173.72 1qo6 s TYR 47 N 1.80 0.10 0.00 3.99 -0.85 -1.24 -4.33 117.35 116.82 1qo6 s TYR 47 Ca -0.09 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 1qo6 s TYR 47 Cb -0.06 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.13 1qo6 s TYR 47 CO -0.20 -0.04 0.00 0.41 -1.52 0.00 0.00 175.55 174.20 1qo6 n GLY 48 N 3.51 1.02 7.00 5.49 0.00 -1.26 -3.56 105.19 117.39 1qo6 n GLY 48 Ca -0.18 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 1.43 1.00 -0.02 0.00 -1.26 0.21 105.19 106.54 1qo6 n GLY 49 Ca 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.24 3.30 -0.11 1.61 2.85 0.60 -4.31 115.26 116.96 1qo6 n ASN 50 Ca 0.00 -1.94 0.00 0.00 -0.11 0.00 0.00 54.58 52.53 1qo6 n ASN 50 Cb 0.00 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 40.73 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qo6 n SER 51 N 1.18 0.00 -3.50 1.20 2.88 0.20 -4.33 113.62 111.25 1qo6 n SER 51 Ca 0.17 -1.21 -0.20 0.00 -1.33 0.00 0.00 58.87 56.30 1qo6 n SER 51 Cb 0.53 -0.04 0.08 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.00 -4.20 0.00 -3.46 4.05 0.55 -4.45 115.26 107.76 1qo6 n ASN 52 Ca 0.00 -0.58 0.00 0.00 0.45 0.00 0.00 54.58 54.45 1qo6 n ASN 52 Cb 0.54 -5.07 0.00 0.00 1.23 0.00 0.00 39.78 36.48 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qo6 n GLY 53 N -1.57 1.73 0.79 8.20 0.00 -0.23 -4.39 105.19 109.73 1qo6 n GLY 53 Ca -0.14 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.35 1qo6 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qo6 n GLU 54 N 6.28 -1.80 -2.20 1.61 1.02 -1.26 -4.45 120.64 119.83 1qo6 n GLU 54 Ca 0.00 1.44 -0.42 0.00 -0.02 0.00 0.00 57.16 58.15 1qo6 n GLU 54 Cb 0.00 -2.11 -0.03 0.00 -0.02 0.00 0.00 31.44 29.28 1qo6 n GLU 54 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1qo6 s PRO 55 N -3.41 4.26 0.00 3.49 0.02 -1.26 -4.68 135.00 133.42 1qo6 s PRO 55 Ca 0.00 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.00 1qo6 s PRO 55 Cb 0.00 -3.65 0.00 0.00 0.02 0.00 0.00 34.50 30.87 1qo6 s PRO 55 CO 0.00 -0.63 0.00 0.00 -0.33 0.00 0.00 177.00 176.04 1qo6 n VAL 57 N -1.56 0.09 -3.64 0.00 3.14 0.70 -4.64 118.33 112.42 1qo6 n VAL 57 Ca 0.00 -1.65 -0.20 0.00 -2.96 0.00 0.00 64.34 59.53 1qo6 n VAL 57 Cb 0.00 0.99 -0.01 0.00 -1.06 0.00 0.00 33.84 33.76 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 -3.15 4.09 0.08 6.55 -0.00 -1.26 -3.86 118.68 121.13 1qo6 s LEU 58 Ca 0.23 -0.08 -0.31 0.00 -0.00 0.00 0.00 54.13 53.97 1qo6 s LEU 58 Cb 0.40 -2.81 -0.07 0.00 -0.00 0.00 0.00 46.19 43.72 1qo6 s LEU 58 CO -0.08 -0.31 1.31 -2.16 -0.00 0.00 0.00 176.35 175.11 1qo6 s PRO 59 N -4.11 4.37 0.11 1.48 0.04 -1.26 -4.99 135.00 130.63 1qo6 s PRO 59 Ca 0.41 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.39 1qo6 s PRO 59 Cb -0.09 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1qo6 s PRO 59 CO 0.31 -0.37 0.07 1.97 0.04 0.00 0.00 177.00 179.01 1qo6 n PHE 60 N 4.04 -1.11 -4.34 0.56 1.16 -0.95 -4.89 117.46 111.94 1qo6 n PHE 60 Ca 0.10 -0.46 -0.24 0.00 -1.87 0.00 0.00 57.45 54.99 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 -0.64 0.94 -0.06 1.97 2.01 -1.26 -2.17 115.64 116.43 1qo6 s THR 61 Ca 0.05 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 1qo6 s THR 61 Cb -0.00 -0.90 0.04 0.00 0.01 0.00 0.00 72.50 71.64 1qo6 s THR 61 CO 0.03 0.32 0.14 -0.47 -0.69 0.00 0.00 174.62 173.96 1qo6 s TYR 62 N 0.95 -0.16 0.00 4.92 5.04 -0.82 -4.81 117.35 122.47 1qo6 s TYR 62 Ca -0.10 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 1qo6 s TYR 62 Cb -0.15 -0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.08 1qo6 s TYR 62 CO 0.00 -0.17 0.00 -1.71 -1.34 0.00 0.00 175.55 172.34 1qo6 n ASN 63 N 4.20 -3.81 0.00 4.32 2.85 -1.26 -1.82 115.26 119.75 1qo6 n ASN 63 Ca -0.27 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 1qo6 n ASN 63 Cb 0.52 -2.18 0.00 0.00 1.24 0.00 0.00 39.78 39.35 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 -0.84 1.86 0.00 8.20 0.00 -1.26 -5.07 105.19 108.07 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 -1.36 1.35 -3.99 1.61 0.00 -0.76 -5.08 116.66 108.43 1qo6 n ARG 65 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.35 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1qo6 s THR 66 N 0.96 0.18 -0.06 8.89 2.01 -1.26 -1.94 115.64 124.43 1qo6 s THR 66 Ca 0.00 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 1qo6 s THR 66 Cb 0.00 -0.31 0.03 0.00 0.01 0.00 0.00 72.50 72.23 1qo6 s THR 66 CO 0.00 -0.45 0.02 -0.36 -0.69 0.00 0.00 174.62 173.14 1qo6 s PHE 67 N -1.36 0.48 -1.13 4.92 0.40 -0.92 -4.97 117.98 115.40 1qo6 s PHE 67 Ca -0.14 -0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 1qo6 s PHE 67 Cb -0.09 -0.69 0.29 0.00 0.51 0.00 0.00 43.02 43.03 1qo6 s PHE 67 CO -0.01 -0.28 1.04 0.66 0.70 0.00 0.00 175.22 177.33 1qo6 n TYR 68 N 5.14 0.65 -2.77 0.36 4.02 -1.26 -2.24 117.16 121.05 1qo6 n TYR 68 Ca -0.07 -0.24 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 1qo6 n TYR 68 Cb 0.50 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 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 0.25 0.00 -4.69 7.72 2.88 -1.26 -4.75 113.62 113.78 1qo6 n SER 69 Ca 0.10 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.29 1qo6 n SER 69 Cb 0.49 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.05 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 -1.91 0.00 -0.54 0.00 -1.32 -0.07 -4.86 115.64 106.95 1qo6 s THR 71 Ca 0.75 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.30 1qo6 s THR 71 Cb -0.32 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 69.90 1qo6 s THR 71 CO 0.48 0.00 0.58 0.35 -2.21 0.00 0.00 174.62 173.83 1qo6 n THR 72 N 0.01 0.77 -0.20 5.08 -2.24 -1.26 -0.26 114.28 116.19 1qo6 n THR 72 Ca -0.13 -4.54 0.02 0.00 -2.27 0.00 0.00 64.05 57.14 1qo6 n THR 72 Cb 0.61 -2.01 0.03 0.00 -2.10 0.00 0.00 70.33 66.87 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qo6 n GLU 73 N 1.45 2.70 -2.71 -0.78 -0.58 -1.26 -4.80 120.64 114.66 1qo6 n GLU 73 Ca 0.25 -1.71 -0.07 0.00 -0.42 0.00 0.00 57.16 55.21 1qo6 n GLU 73 Cb 0.45 -1.10 0.09 0.00 -0.57 0.00 0.00 31.44 30.31 1qo6 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qo6 n GLY 74 N -0.63 0.19 3.35 0.62 0.00 -1.26 -5.08 105.19 102.39 1qo6 n GLY 74 Ca 0.03 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 0.20 1.56 -0.36 1.61 3.03 -1.26 -5.07 118.95 118.66 1qo6 s ARG 75 Ca 0.21 -1.88 0.06 0.00 2.03 0.00 0.00 55.73 56.14 1qo6 s ARG 75 Cb 0.30 -0.23 0.45 0.00 -1.03 0.00 0.00 34.95 34.44 1qo6 s ARG 75 CO -0.09 -0.39 1.28 0.00 -1.13 0.00 0.00 175.30 174.97 1qo6 n GLN 76 N -0.57 3.48 0.14 3.89 10.64 -1.26 -4.79 117.38 128.91 1qo6 n GLN 76 Ca -0.00 -4.12 0.00 0.00 -1.83 0.00 0.00 57.00 51.05 1qo6 n GLN 76 Cb 0.65 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.76 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1qo6 n ASP 77 N -0.69 -2.57 0.00 2.61 -0.08 -1.26 -5.06 116.55 109.50 1qo6 n ASP 77 Ca 0.45 0.66 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 1qo6 n ASP 77 Cb 0.88 2.55 0.00 0.00 2.34 0.00 0.00 41.12 46.89 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qo6 n GLY 78 N -1.39 0.32 3.63 0.27 0.00 -1.26 -5.14 105.19 101.62 1qo6 n GLY 78 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1qo6 n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 79 N -0.32 3.27 0.43 1.61 3.76 -1.26 -5.04 115.29 117.74 1qo6 s HIS 79 Ca 0.00 0.12 -0.23 0.00 -0.15 0.00 0.00 55.06 54.80 1qo6 s HIS 79 Cb 0.00 -2.22 -0.12 0.00 1.11 0.00 0.00 32.58 31.35 1qo6 s HIS 79 CO 0.00 0.04 0.69 1.28 -0.85 0.00 0.00 174.74 175.90 1qo6 n LEU 80 N 4.18 0.88 -4.01 0.89 4.32 -1.26 -4.74 117.00 117.26 1qo6 n LEU 80 Ca -0.15 0.94 -0.10 0.00 -0.02 0.00 0.00 56.01 56.68 1qo6 n LEU 80 Cb 0.52 -1.19 -0.07 0.00 -1.62 0.00 0.00 43.42 41.06 1qo6 n LEU 80 CO 0.35 -2.45 -0.03 -1.66 -1.22 0.00 0.00 177.39 172.37 1qo6 s TRP 81 N -1.41 0.51 0.06 -1.77 1.48 0.65 0.17 118.94 118.63 1qo6 s TRP 81 Ca 0.64 -0.86 -0.06 0.00 -1.06 0.00 0.00 56.10 54.76 1qo6 s TRP 81 Cb -0.58 -0.10 -0.01 0.00 -1.16 0.00 0.00 33.47 31.61 1qo6 s TRP 81 CO 0.57 -0.74 0.11 0.00 -4.06 0.00 0.00 176.95 172.83 1qo6 s SER 83 N -2.69 6.75 -0.05 0.00 0.15 -1.26 0.42 113.70 117.02 1qo6 s SER 83 Ca 0.03 0.91 0.08 0.00 0.70 0.00 0.00 55.95 57.67 1qo6 s SER 83 Cb 0.04 -2.37 0.32 0.00 -1.71 0.00 0.00 66.02 62.30 1qo6 s SER 83 CO -0.09 -0.27 1.14 0.35 1.20 0.00 0.00 173.24 175.57 1qo6 n THR 84 N 4.58 0.80 -3.57 6.45 -2.24 -1.05 0.25 114.28 119.50 1qo6 n THR 84 Ca -0.01 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 1qo6 n THR 84 Cb 0.50 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.66 -0.57 0.26 4.28 2.01 -1.26 -4.76 115.64 113.94 1qo6 s THR 85 Ca 0.22 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.16 1qo6 s THR 85 Cb 0.14 -1.00 0.42 0.00 0.01 0.00 0.00 72.50 72.07 1qo6 s THR 85 CO 0.11 0.00 1.44 -1.54 -0.69 0.00 0.00 174.62 173.94 1qo6 n SER 86 N 4.91 -0.30 -3.68 3.53 3.41 -1.26 -1.51 113.62 118.73 1qo6 n SER 86 Ca -0.13 1.59 -0.42 0.00 -0.26 0.00 0.00 58.87 59.65 1qo6 n SER 86 Cb 0.53 -0.50 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1qo6 n SER 86 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qo6 n ASN 87 N -5.48 4.92 0.19 4.04 5.15 -1.26 -4.61 115.26 118.21 1qo6 n ASN 87 Ca 0.16 -2.85 0.07 0.00 -0.60 0.00 0.00 54.58 51.36 1qo6 n ASN 87 Cb 0.50 -1.61 0.28 0.00 -0.53 0.00 0.00 39.78 38.42 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1qo6 h TYR 88 N 5.76 0.00 0.00 1.20 5.03 -1.61 -1.77 116.97 125.59 1qo6 h TYR 88 Ca 0.59 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.90 1qo6 h TYR 88 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1qo6 h TYR 88 CO 1.50 0.34 0.00 0.93 -1.32 0.00 0.00 178.16 179.61 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.87 0.99 114.58 120.59 1qo6 h GLU 89 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 1qo6 h GLU 89 Cb 1.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1qo6 h GLU 89 CO 0.04 0.00 -2.15 0.94 -1.00 0.00 0.00 179.01 176.84 1qo6 n GLN 90 N -2.59 0.58 0.06 2.33 -0.06 -1.05 -4.67 117.38 111.98 1qo6 n GLN 90 Ca 0.02 0.29 -0.22 0.00 -2.00 0.00 0.00 57.00 55.09 1qo6 n GLN 90 Cb 0.31 -1.51 -0.15 0.00 -4.06 0.00 0.00 30.24 24.83 1qo6 n GLN 90 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 1qo6 h ASP 91 N -1.00 0.56 -0.93 1.69 3.58 -1.39 -3.48 116.42 115.46 1qo6 h ASP 91 Ca -0.56 -0.91 -0.29 0.00 0.42 0.00 0.00 57.03 55.69 1qo6 h ASP 91 Cb 1.47 -0.18 -0.10 0.00 1.72 0.00 0.00 39.33 42.24 1qo6 h ASP 91 CO -0.34 1.64 -0.29 1.67 -2.88 0.00 0.00 179.24 179.05 1qo6 n GLN 92 N -3.83 -1.03 -3.37 0.28 -0.06 0.34 -4.97 117.38 104.75 1qo6 n GLN 92 Ca -0.21 0.95 -0.42 0.00 -2.00 0.00 0.00 57.00 55.33 1qo6 n GLN 92 Cb 0.98 -5.10 -0.09 0.00 -4.06 0.00 0.00 30.24 21.96 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1qo6 s LYS 93 N -3.49 3.34 0.25 3.69 0.00 -1.26 -5.01 119.74 117.27 1qo6 s LYS 93 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 55.97 55.46 1qo6 s LYS 93 Cb 0.00 -3.88 -0.05 0.00 0.00 0.00 0.00 37.83 33.90 1qo6 s LYS 93 CO 0.00 -0.67 -0.08 1.52 0.00 0.00 0.00 175.35 176.12 1qo6 s TYR 94 N 2.06 1.84 0.42 1.78 -0.85 -1.26 -2.52 117.35 118.82 1qo6 s TYR 94 Ca 0.12 -0.68 0.07 0.00 -0.52 0.00 0.00 57.07 56.05 1qo6 s TYR 94 Cb -0.17 -1.00 -0.07 0.00 0.38 0.00 0.00 41.96 41.10 1qo6 s TYR 94 CO 0.12 0.28 0.02 -1.12 -1.52 0.00 0.00 175.55 173.33 1qo6 s SER 95 N -3.39 3.94 0.68 -0.18 0.01 0.17 0.22 113.70 115.14 1qo6 s SER 95 Ca 0.27 -1.37 0.01 0.00 1.31 0.00 0.00 55.95 56.17 1qo6 s SER 95 Cb 0.02 -0.32 0.11 0.00 0.21 0.00 0.00 66.02 66.04 1qo6 s SER 95 CO 0.10 -0.49 0.93 -0.36 0.41 0.00 0.00 173.24 173.83 1qo6 s PHE 96 N -2.72 1.75 -0.02 2.43 0.08 -1.23 0.12 117.98 118.38 1qo6 s PHE 96 Ca 0.33 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1qo6 s PHE 96 Cb 0.09 -2.85 0.03 0.00 -0.57 0.00 0.00 43.02 39.71 1qo6 s PHE 96 CO 0.17 -1.51 0.02 0.00 -0.10 0.00 0.00 175.22 173.80 1qo6 n THR 98 N 4.18 0.00 -0.31 0.00 -2.24 -1.26 -4.09 114.28 110.55 1qo6 n THR 98 Ca -0.27 -0.28 0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1qo6 n THR 98 Cb 0.50 -1.00 0.20 0.00 -2.10 0.00 0.00 70.33 67.93 1qo6 n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qo6 n ASP 99 N -5.42 -0.21 -0.31 3.42 8.00 -1.26 -4.79 116.55 115.99 1qo6 n ASP 99 Ca 0.07 1.52 0.00 0.00 0.71 0.00 0.00 54.79 57.10 1qo6 n ASP 99 Cb 0.57 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1qo6 n HIS 100 N -5.37 -0.24 -0.10 1.24 -0.00 -1.26 -5.10 115.22 104.38 1qo6 n HIS 100 Ca 0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1qo6 n HIS 100 Cb 0.57 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05