#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 2.16 3.59 2.72 0.00 -1.26 -5.05 105.19 107.35 1qo6 n GLY 2 Ca 0.00 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1qo6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qo6 n HIS 3 N 0.00 0.83 -4.26 1.61 8.25 -1.26 -2.23 115.22 118.16 1qo6 n HIS 3 Ca 0.00 0.53 -0.34 0.00 -0.26 0.00 0.00 57.72 57.65 1qo6 n HIS 3 Cb 0.00 -2.17 -0.15 0.00 1.12 0.00 0.00 29.99 28.79 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qo6 s VAL 5 N 1.05 1.46 -1.33 0.00 1.01 -1.26 0.27 120.40 121.59 1qo6 s VAL 5 Ca -0.00 -0.77 0.16 0.00 0.00 0.00 0.00 61.98 61.36 1qo6 s VAL 5 Cb -0.15 -1.22 0.60 0.00 0.00 0.00 0.00 36.38 35.62 1qo6 s VAL 5 CO -0.02 0.41 1.49 0.35 0.00 0.00 0.00 175.10 177.33 1qo6 n THR 6 N 2.76 1.43 -0.93 3.92 -2.24 -1.23 -4.89 114.28 113.10 1qo6 n THR 6 Ca -0.16 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 1qo6 n THR 6 Cb 0.53 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1qo6 n THR 6 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qo6 n ASP 7 N 0.98 -3.72 -0.38 3.42 2.03 -1.26 -4.78 116.55 112.84 1qo6 n ASP 7 Ca 0.22 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.61 1qo6 n ASP 7 Cb 0.73 -2.19 -0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1qo6 n SER 8 N -0.48 1.67 0.00 1.67 7.64 -1.26 -4.97 113.62 117.90 1qo6 n SER 8 Ca 0.00 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1qo6 n SER 8 Cb 0.24 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qo6 n GLY 9 N 1.19 1.17 3.56 0.23 0.00 -1.26 -5.05 105.19 105.02 1qo6 n GLY 9 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.50 3.40 -1.25 1.61 1.01 -1.26 -4.91 120.40 117.50 1qo6 s VAL 10 Ca 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 1qo6 s VAL 10 Cb 0.00 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.56 1qo6 s VAL 10 CO 0.00 -0.91 1.58 0.52 0.00 0.00 0.00 175.10 176.29 1qo6 n VAL 11 N 7.18 4.19 -0.32 2.92 0.31 -1.26 -3.52 118.33 127.84 1qo6 n VAL 11 Ca 0.20 -4.52 -0.07 0.00 -0.01 0.00 0.00 64.34 59.94 1qo6 n VAL 11 Cb 0.51 -2.44 0.06 0.00 -0.91 0.00 0.00 33.84 31.07 1qo6 n VAL 11 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1qo6 n TYR 12 N 5.84 -2.78 -3.92 3.52 4.01 0.77 -4.77 117.16 119.82 1qo6 n TYR 12 Ca 0.40 -0.20 -0.11 0.00 -0.16 0.00 0.00 57.90 57.83 1qo6 n TYR 12 Cb 0.42 -0.26 -0.13 0.00 -0.31 0.00 0.00 39.34 39.06 1qo6 n TYR 12 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1qo6 s SER 13 N -2.20 0.12 -0.74 7.72 0.01 -1.26 -1.62 113.70 115.74 1qo6 s SER 13 Ca 0.15 -0.23 -0.10 0.00 1.31 0.00 0.00 55.95 57.09 1qo6 s SER 13 Cb -0.02 0.04 -0.23 0.00 0.21 0.00 0.00 66.02 66.02 1qo6 s SER 13 CO 0.12 -0.13 1.90 0.55 0.41 0.00 0.00 173.24 176.09 1qo6 n VAL 14 N 2.41 0.00 0.00 3.43 3.14 -0.95 -0.37 118.33 126.00 1qo6 n VAL 14 Ca -0.17 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 1qo6 n VAL 14 Cb 0.58 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 1qo6 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qo6 n GLY 15 N 5.44 1.48 2.63 7.55 0.00 -0.89 -5.02 105.19 116.37 1qo6 n GLY 15 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qo6 n MET 16 N -0.08 3.33 -0.87 1.61 2.00 0.51 -5.04 117.12 118.58 1qo6 n MET 16 Ca 0.00 -4.34 -0.34 0.00 0.00 0.00 0.00 57.70 53.02 1qo6 n MET 16 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 33.22 30.91 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 -0.45 0.00 -3.04 0.03 6.02 -1.26 -4.83 117.38 113.84 1qo6 n GLN 17 Ca 0.42 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.32 1qo6 n GLN 17 Cb 0.52 -0.85 -0.04 0.00 1.02 0.00 0.00 30.24 30.90 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1qo6 n TRP 18 N 1.01 -0.41 -4.53 1.08 2.14 0.47 -5.01 117.44 112.19 1qo6 n TRP 18 Ca 0.12 -1.32 -0.24 0.00 2.07 0.00 0.00 57.50 58.13 1qo6 n TRP 18 Cb 0.04 0.15 -0.16 0.00 -0.81 0.00 0.00 31.31 30.52 1qo6 n TRP 18 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1qo6 s LEU 19 N 0.00 1.64 0.14 5.67 2.96 -1.26 -0.98 118.68 126.85 1qo6 s LEU 19 Ca 0.19 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 53.93 1qo6 s LEU 19 Cb 0.01 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 1qo6 s LEU 19 CO 0.13 0.03 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.22 1qo6 s LYS 20 N 0.60 1.59 0.37 1.98 2.20 0.52 -4.80 119.74 122.20 1qo6 s LYS 20 Ca -0.12 -1.32 0.08 0.00 -0.36 0.00 0.00 55.97 54.24 1qo6 s LYS 20 Cb -0.15 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.15 1qo6 s LYS 20 CO 0.03 0.45 0.11 0.95 -0.36 0.00 0.00 175.35 176.52 1qo6 s THR 21 N -1.25 2.52 -0.15 3.43 -4.23 -1.26 -0.86 115.64 113.85 1qo6 s THR 21 Ca 0.17 -1.81 0.14 0.00 -1.18 0.00 0.00 61.69 59.02 1qo6 s THR 21 Cb -0.10 -2.93 0.38 0.00 1.34 0.00 0.00 72.50 71.20 1qo6 s THR 21 CO 0.09 -0.10 1.19 0.00 -0.54 0.00 0.00 174.62 175.26 1qo6 n GLN 22 N -1.11 1.20 -1.37 3.99 6.02 -0.58 -4.95 117.38 120.58 1qo6 n GLN 22 Ca -0.03 -2.86 -0.13 0.00 -0.01 0.00 0.00 57.00 53.98 1qo6 n GLN 22 Cb 0.63 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.56 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qo6 n GLY 23 N -0.85 1.36 0.00 1.08 0.00 -1.26 -4.32 105.19 101.20 1qo6 n GLY 23 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.12 0.00 -4.57 1.61 2.85 -1.26 -5.15 115.26 108.61 1qo6 n ASN 24 Ca -0.13 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.11 1qo6 n ASN 24 Cb 0.43 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.36 1qo6 n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1qo6 s LYS 25 N 0.00 2.04 0.11 1.20 3.01 -1.26 -5.14 119.74 119.70 1qo6 s LYS 25 Ca 0.00 -1.56 0.01 0.00 -1.01 0.00 0.00 55.97 53.40 1qo6 s LYS 25 Cb 0.00 -2.00 -0.04 0.00 -1.01 0.00 0.00 37.83 34.78 1qo6 s LYS 25 CO 0.00 0.35 0.26 -1.14 0.51 0.00 0.00 175.35 175.33 1qo6 s GLN 26 N -3.61 3.46 -0.29 1.68 0.74 -1.26 -1.52 119.66 118.86 1qo6 s GLN 26 Ca 0.31 -0.47 -0.14 0.00 0.05 0.00 0.00 55.36 55.11 1qo6 s GLN 26 Cb -0.06 -2.99 0.13 0.00 1.10 0.00 0.00 33.01 31.19 1qo6 s GLN 26 CO 0.18 0.55 0.83 1.41 -0.55 0.00 0.00 175.29 177.71 1qo6 s MET 27 N -2.84 0.49 -0.29 1.67 1.75 -0.04 -0.90 119.30 119.15 1qo6 s MET 27 Ca 0.35 1.01 -0.21 0.00 -1.25 0.00 0.00 55.69 55.60 1qo6 s MET 27 Cb -0.12 0.36 -0.01 0.00 2.84 0.00 0.00 34.83 37.90 1qo6 s MET 27 CO 0.28 -0.13 0.66 -1.17 -0.65 0.00 0.00 175.02 174.01 1qo6 s LEU 28 N 2.03 4.11 -0.10 4.11 2.96 -0.92 0.20 118.68 131.07 1qo6 s LEU 28 Ca -0.07 0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1qo6 s LEU 28 Cb -0.06 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 1qo6 s LEU 28 CO -0.18 -0.47 0.01 0.00 -1.32 0.00 0.00 176.35 174.39 1qo6 s THR 30 N -0.69 0.14 -0.36 0.00 2.01 0.38 -0.39 115.64 116.72 1qo6 s THR 30 Ca 0.11 -1.16 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 1qo6 s THR 30 Cb -0.12 -0.62 0.09 0.00 0.01 0.00 0.00 72.50 71.86 1qo6 s THR 30 CO 0.02 -0.64 0.11 0.00 -0.69 0.00 0.00 174.62 173.43 1qo6 n LEU 32 N 4.57 0.00 0.00 0.00 -0.00 -1.19 -2.11 117.00 118.28 1qo6 n LEU 32 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1qo6 n LEU 32 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1qo6 n LEU 32 CO 0.29 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.29 1qo6 n GLY 33 N 3.60 0.03 0.21 1.47 0.00 -1.26 -4.52 105.19 104.71 1qo6 n GLY 33 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.01 -3.48 115.58 110.63 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 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1qo6 h ASN 34 CO 0.00 0.26 0.00 0.61 0.07 0.00 0.00 177.43 178.37 1qo6 n GLY 35 N 0.35 -0.29 2.92 9.14 0.00 -1.26 -5.13 105.19 110.92 1qo6 n GLY 35 Ca 0.01 0.42 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.39 0.54 1.61 1.01 -1.26 -3.17 120.40 118.74 1qo6 s VAL 36 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1qo6 s VAL 36 Cb 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1qo6 s VAL 36 CO 0.00 0.04 0.32 -0.55 0.00 0.00 0.00 175.10 174.90 1qo6 s SER 37 N 2.39 4.53 0.28 3.32 0.15 0.14 -4.91 113.70 119.59 1qo6 s SER 37 Ca 0.03 -1.33 -0.16 0.00 0.70 0.00 0.00 55.95 55.19 1qo6 s SER 37 Cb -0.13 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1qo6 s SER 37 CO -0.09 -1.05 0.61 0.00 1.20 0.00 0.00 173.24 173.91 1qo6 s GLN 39 N -3.79 1.76 0.18 0.00 2.00 0.47 -4.93 119.66 115.35 1qo6 s GLN 39 Ca 0.17 -1.52 -0.33 0.00 -2.00 0.00 0.00 55.36 51.68 1qo6 s GLN 39 Cb -0.03 -2.95 -0.14 0.00 0.80 0.00 0.00 33.01 30.69 1qo6 s GLN 39 CO 0.09 -0.75 1.41 -1.91 -0.50 0.00 0.00 175.29 173.63 1qo6 n GLU 40 N 4.40 1.78 0.00 1.67 2.13 -1.26 -2.16 120.64 127.20 1qo6 n GLU 40 Ca -0.05 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1qo6 n GLU 40 Cb 0.42 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1qo6 n GLU 40 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1qo6 n THR 41 N 2.43 0.00 0.00 6.31 -1.04 -0.08 -4.76 114.28 117.14 1qo6 n THR 41 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1qo6 n THR 41 Cb 0.27 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 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 0.00 -0.88 2.41 0.00 -1.02 -4.45 120.51 116.58 1qo6 n ALA 42 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1qo6 n ALA 42 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 0.00 0.00 -3.60 0.00 0.24 -1.26 -4.64 118.33 109.07 1qo6 n VAL 43 Ca 0.00 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 1qo6 n VAL 43 Cb 0.00 -1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 31.21 1qo6 n VAL 43 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1qo6 s THR 44 N -2.58 0.03 0.35 3.34 2.01 -1.26 -4.96 115.64 112.57 1qo6 s THR 44 Ca 0.62 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 1qo6 s THR 44 Cb -0.07 -1.27 -0.12 0.00 0.01 0.00 0.00 72.50 71.05 1qo6 s THR 44 CO 0.49 -0.12 1.42 0.00 -0.69 0.00 0.00 174.62 175.72 1qo6 n GLN 45 N -0.33 2.44 -4.82 4.92 1.13 -1.26 -4.95 117.38 114.51 1qo6 n GLN 45 Ca -0.14 0.86 -0.33 0.00 -1.94 0.00 0.00 57.00 55.45 1qo6 n GLN 45 Cb 0.64 -2.53 -0.16 0.00 0.11 0.00 0.00 30.24 28.30 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1qo6 s THR 46 N -0.97 2.58 0.07 5.09 -4.23 -1.26 -3.39 115.64 113.53 1qo6 s THR 46 Ca 0.56 -0.82 0.06 0.00 -1.18 0.00 0.00 61.69 60.31 1qo6 s THR 46 Cb -0.52 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 1qo6 s THR 46 CO 0.61 0.53 -0.17 -0.72 -0.54 0.00 0.00 174.62 174.33 1qo6 s TYR 47 N 0.52 1.49 0.00 3.99 -0.85 -1.20 -4.08 117.35 117.22 1qo6 s TYR 47 Ca -0.11 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1qo6 s TYR 47 Cb -0.16 -0.85 0.00 0.00 0.38 0.00 0.00 41.96 41.33 1qo6 s TYR 47 CO 0.04 0.11 0.00 0.41 -1.52 0.00 0.00 175.55 174.59 1qo6 n GLY 48 N 1.39 1.67 5.23 5.49 0.00 -1.26 -3.37 105.19 114.33 1qo6 n GLY 48 Ca -0.20 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.85 0.00 -0.02 0.00 -1.26 -1.54 105.19 104.22 1qo6 n GLY 49 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 6.80 0.92 -0.02 1.61 4.13 -0.25 -4.65 115.26 123.79 1qo6 n ASN 50 Ca 0.00 -0.41 0.01 0.00 1.68 0.00 0.00 54.58 55.86 1qo6 n ASN 50 Cb 0.00 1.00 0.01 0.00 -1.54 0.00 0.00 39.78 39.25 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qo6 n SER 51 N -1.09 1.59 -2.80 6.41 7.64 -0.77 -4.71 113.62 119.89 1qo6 n SER 51 Ca 0.00 -1.92 -0.16 0.00 1.01 0.00 0.00 58.87 57.81 1qo6 n SER 51 Cb 0.00 -0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1qo6 n SER 51 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1qo6 n ASN 52 N -0.48 -3.71 -0.50 6.43 2.85 -0.59 -4.28 115.26 114.97 1qo6 n ASN 52 Ca 0.02 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1qo6 n ASN 52 Cb 0.35 -3.13 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 -0.94 -3.67 3.68 8.20 0.00 -0.98 -4.18 105.19 107.29 1qo6 n GLY 53 Ca -0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 1qo6 n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qo6 s GLU 54 N -3.01 0.95 -0.55 1.61 -1.05 -1.26 -4.96 118.70 110.43 1qo6 s GLU 54 Ca 0.00 -0.49 -0.26 0.00 -0.15 0.00 0.00 54.97 54.07 1qo6 s GLU 54 Cb 0.00 0.34 -0.07 0.00 -0.44 0.00 0.00 34.13 33.97 1qo6 s GLU 54 CO 0.00 -0.43 2.30 -1.25 0.95 0.00 0.00 175.26 176.83 1qo6 s PRO 55 N -3.07 2.15 1.07 -4.83 0.04 -1.26 -4.84 135.00 124.26 1qo6 s PRO 55 Ca 0.11 1.13 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 1qo6 s PRO 55 Cb -0.00 -4.58 0.06 0.00 0.04 0.00 0.00 34.50 30.01 1qo6 s PRO 55 CO -0.01 -3.30 -0.26 0.00 0.04 0.00 0.00 177.00 173.47 1qo6 n VAL 57 N -4.23 1.66 -3.90 0.00 3.14 0.68 -4.84 118.33 110.84 1qo6 n VAL 57 Ca 0.01 -5.03 -0.23 0.00 -2.96 0.00 0.00 64.34 56.13 1qo6 n VAL 57 Cb 0.59 -1.53 -0.05 0.00 -1.06 0.00 0.00 33.84 31.79 1qo6 n VAL 57 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1qo6 s LEU 58 N -2.59 3.29 0.06 6.55 -0.00 -1.26 -3.92 118.68 120.81 1qo6 s LEU 58 Ca 0.42 -0.84 -0.31 0.00 -0.00 0.00 0.00 54.13 53.41 1qo6 s LEU 58 Cb 0.23 -1.79 -0.06 0.00 -0.00 0.00 0.00 46.19 44.57 1qo6 s LEU 58 CO -0.08 -0.50 1.36 -2.16 -0.00 0.00 0.00 176.35 174.97 1qo6 s PRO 59 N -3.97 4.32 0.36 1.48 0.04 -1.26 -4.99 135.00 130.97 1qo6 s PRO 59 Ca 0.43 1.98 0.05 0.00 0.04 0.00 0.00 61.00 63.49 1qo6 s PRO 59 Cb -0.01 -3.41 0.05 0.00 0.04 0.00 0.00 34.50 31.17 1qo6 s PRO 59 CO 0.25 -0.47 0.39 1.97 0.04 0.00 0.00 177.00 179.18 1qo6 n PHE 60 N 4.57 -1.76 -4.34 0.56 1.16 -0.67 -4.82 117.46 112.17 1qo6 n PHE 60 Ca 0.12 -1.41 -0.30 0.00 -1.87 0.00 0.00 57.45 53.99 1qo6 n PHE 60 Cb 0.44 -0.32 -0.17 0.00 -1.61 0.00 0.00 39.48 37.82 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 -1.50 1.64 -0.02 1.97 2.01 -1.26 -1.33 115.64 117.16 1qo6 s THR 61 Ca 0.29 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1qo6 s THR 61 Cb -0.02 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 71.01 1qo6 s THR 61 CO 0.19 0.47 0.03 -0.47 -0.69 0.00 0.00 174.62 174.14 1qo6 s TYR 62 N 1.12 0.06 0.00 4.92 5.04 -0.65 -4.78 117.35 123.06 1qo6 s TYR 62 Ca -0.03 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1qo6 s TYR 62 Cb -0.14 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 41.92 1qo6 s TYR 62 CO -0.05 -0.09 0.00 -1.71 -1.34 0.00 0.00 175.55 172.36 1qo6 n ASN 63 N 4.15 -1.89 0.00 4.32 2.85 -1.26 -2.20 115.26 121.23 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 0.50 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 40.09 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qo6 n GLY 64 N -1.66 1.48 0.00 8.20 0.00 -1.26 -5.08 105.19 106.87 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 -1.12 1.83 -4.19 1.61 0.00 -0.93 -5.08 116.66 108.78 1qo6 n ARG 65 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 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 1.08 1.07 -0.11 8.89 2.01 -1.26 -1.63 115.64 125.69 1qo6 s THR 66 Ca 0.00 -1.53 -0.04 0.00 0.31 0.00 0.00 61.69 60.43 1qo6 s THR 66 Cb 0.00 -1.28 0.05 0.00 0.01 0.00 0.00 72.50 71.29 1qo6 s THR 66 CO 0.00 -0.42 0.17 -0.36 -0.69 0.00 0.00 174.62 173.32 1qo6 s PHE 67 N -1.97 -0.19 -2.05 4.92 0.40 -0.44 -4.94 117.98 113.71 1qo6 s PHE 67 Ca 0.03 0.54 0.17 0.00 -0.60 0.00 0.00 56.93 57.08 1qo6 s PHE 67 Cb -0.06 -0.28 0.92 0.00 0.51 0.00 0.00 43.02 44.12 1qo6 s PHE 67 CO 0.01 -0.33 1.61 0.66 0.70 0.00 0.00 175.22 177.87 1qo6 n TYR 68 N 5.32 0.05 -3.53 0.36 4.02 -1.26 -1.66 117.16 120.45 1qo6 n TYR 68 Ca -0.05 -0.02 -0.02 0.00 -0.01 0.00 0.00 57.90 57.80 1qo6 n TYR 68 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.83 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1qo6 n SER 69 N -0.54 -0.71 -3.99 7.72 7.64 -1.26 -4.48 113.62 118.00 1qo6 n SER 69 Ca 0.13 -1.40 -0.28 0.00 1.01 0.00 0.00 58.87 58.32 1qo6 n SER 69 Cb 0.11 1.16 0.12 0.00 -1.01 0.00 0.00 64.21 64.58 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qo6 n THR 71 N -4.11 0.00 -2.03 0.00 5.66 -0.04 -4.86 114.28 108.90 1qo6 n THR 71 Ca 0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.77 1qo6 n THR 71 Cb 0.55 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.35 1qo6 n THR 71 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1qo6 n THR 72 N -0.02 2.54 0.56 1.09 -2.24 -1.26 -1.45 114.28 113.49 1qo6 n THR 72 Ca 0.00 -4.23 0.10 0.00 -2.27 0.00 0.00 64.05 57.65 1qo6 n THR 72 Cb 0.00 -1.14 0.26 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.70 2.15 0.00 -0.78 -0.58 -1.26 -3.91 120.64 115.55 1qo6 n GLU 73 Ca 0.44 -1.76 0.03 0.00 -0.42 0.00 0.00 57.16 55.45 1qo6 n GLU 73 Cb 0.96 -1.42 0.02 0.00 -0.57 0.00 0.00 31.44 30.43 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 1.31 -0.79 3.25 0.62 0.00 -1.26 -5.03 105.19 103.30 1qo6 n GLY 74 Ca 0.17 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.56 1.37 -0.12 1.61 1.70 -1.25 -5.06 118.95 116.63 1qo6 s ARG 75 Ca 0.07 -1.70 0.16 0.00 -0.47 0.00 0.00 55.73 53.79 1qo6 s ARG 75 Cb 0.05 0.30 0.34 0.00 -0.57 0.00 0.00 34.95 35.08 1qo6 s ARG 75 CO 0.08 -0.48 1.23 1.04 -1.08 0.00 0.00 175.30 176.10 1qo6 n GLN 76 N -0.36 2.10 -0.12 3.89 6.02 -1.26 -4.68 117.38 122.96 1qo6 n GLN 76 Ca 0.03 -2.53 -0.23 0.00 -0.01 0.00 0.00 57.00 54.26 1qo6 n GLN 76 Cb 0.65 -1.55 -0.08 0.00 1.02 0.00 0.00 30.24 30.28 1qo6 n GLN 76 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1qo6 n ASP 77 N -0.92 1.94 0.00 1.08 5.68 -1.26 -5.04 116.55 118.03 1qo6 n ASP 77 Ca 0.16 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 1qo6 n ASP 77 Cb 0.67 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qo6 n GLY 78 N 1.33 1.42 3.61 6.12 0.00 -1.26 -5.11 105.19 111.29 1qo6 n GLY 78 Ca -0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.56 3.22 0.26 1.61 3.76 -1.26 -4.97 115.29 116.36 1qo6 s HIS 79 Ca 0.00 0.68 -0.30 0.00 -0.15 0.00 0.00 55.06 55.29 1qo6 s HIS 79 Cb 0.00 -3.03 -0.10 0.00 1.11 0.00 0.00 32.58 30.56 1qo6 s HIS 79 CO 0.00 -0.47 1.44 -0.51 -0.85 0.00 0.00 174.74 174.35 1qo6 s LEU 80 N 2.68 4.38 0.05 0.89 1.02 -1.26 -4.54 118.68 121.91 1qo6 s LEU 80 Ca 0.27 2.70 -0.06 0.00 0.02 0.00 0.00 54.13 57.06 1qo6 s LEU 80 Cb -0.15 -3.63 -0.01 0.00 0.02 0.00 0.00 46.19 42.43 1qo6 s LEU 80 CO 0.11 -0.71 0.11 -1.66 0.02 0.00 0.00 176.35 174.23 1qo6 s TRP 81 N -0.12 0.20 0.37 0.29 1.48 -0.53 0.11 118.94 120.74 1qo6 s TRP 81 Ca 0.59 -0.52 0.04 0.00 -1.06 0.00 0.00 56.10 55.14 1qo6 s TRP 81 Cb -0.42 -0.14 -0.03 0.00 -1.16 0.00 0.00 33.47 31.72 1qo6 s TRP 81 CO 0.45 -0.40 0.14 0.00 -4.06 0.00 0.00 176.95 173.08 1qo6 s SER 83 N -3.52 4.75 0.00 0.00 0.15 -1.26 0.31 113.70 114.13 1qo6 s SER 83 Ca 0.29 -0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.73 1qo6 s SER 83 Cb 0.04 -1.06 -0.01 0.00 -1.71 0.00 0.00 66.02 63.27 1qo6 s SER 83 CO 0.16 0.19 0.28 0.35 1.20 0.00 0.00 173.24 175.43 1qo6 n THR 84 N 0.77 0.00 -4.11 6.45 -2.24 -0.81 0.25 114.28 114.60 1qo6 n THR 84 Ca -0.12 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 1qo6 n THR 84 Cb 0.52 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.98 1.28 0.56 4.28 2.01 -1.25 -4.52 115.64 117.02 1qo6 s THR 85 Ca 0.02 -0.47 0.47 0.00 0.31 0.00 0.00 61.69 62.02 1qo6 s THR 85 Cb 0.03 -1.23 0.69 0.00 0.01 0.00 0.00 72.50 72.00 1qo6 s THR 85 CO 0.10 0.41 1.52 -1.20 -0.69 0.00 0.00 174.62 174.76 1qo6 n SER 86 N 4.64 0.00 -4.07 3.53 7.64 -1.26 -1.92 113.62 122.18 1qo6 n SER 86 Ca -0.16 0.96 -0.35 0.00 1.01 0.00 0.00 58.87 60.32 1qo6 n SER 86 Cb 0.50 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 1qo6 n SER 86 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1qo6 n ASN 87 N -3.82 4.19 0.17 6.43 2.85 -1.26 -4.81 115.26 119.01 1qo6 n ASN 87 Ca 0.42 -3.16 0.05 0.00 -0.11 0.00 0.00 54.58 51.78 1qo6 n ASN 87 Cb 1.95 -1.03 0.18 0.00 1.24 0.00 0.00 39.78 42.12 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 5.85 0.00 0.00 1.20 3.20 -1.71 -0.14 116.97 125.37 1qo6 h TYR 88 Ca 0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1qo6 h TYR 88 Cb 0.79 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1qo6 h TYR 88 CO 0.72 0.40 0.00 0.39 -1.64 0.00 0.00 178.16 178.04 1qo6 n GLU 89 N -3.31 0.51 -0.00 1.82 1.02 -1.26 -0.33 120.64 119.09 1qo6 n GLU 89 Ca 0.01 0.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1qo6 n GLU 89 Cb 0.62 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.21 0.77 -0.09 3.49 -0.06 -1.11 -4.83 117.38 114.34 1qo6 n GLN 90 Ca 0.15 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.93 1qo6 n GLN 90 Cb 0.18 -1.01 -0.12 0.00 -4.06 0.00 0.00 30.24 25.23 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1qo6 n ASP 91 N -2.42 2.00 0.00 1.69 9.92 -0.08 -4.99 116.55 122.67 1qo6 n ASP 91 Ca -0.01 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1qo6 n ASP 91 Cb 0.51 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1qo6 n ASP 91 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1qo6 n GLN 92 N -3.71 -0.01 -1.99 -1.24 -0.06 0.55 -4.97 117.38 105.94 1qo6 n GLN 92 Ca -0.42 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.16 1qo6 n GLN 92 Cb 0.94 -2.82 -0.03 0.00 -4.06 0.00 0.00 30.24 24.27 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1qo6 s LYS 93 N -0.01 3.20 0.19 3.69 3.01 -1.26 -4.95 119.74 123.60 1qo6 s LYS 93 Ca 0.00 1.30 0.01 0.00 -1.01 0.00 0.00 55.97 56.28 1qo6 s LYS 93 Cb 0.00 -4.24 -0.05 0.00 -1.01 0.00 0.00 37.83 32.54 1qo6 s LYS 93 CO 0.00 -2.03 0.03 1.52 0.51 0.00 0.00 175.35 175.38 1qo6 s TYR 94 N 7.36 1.24 0.16 3.18 -0.85 -1.26 -1.92 117.35 125.27 1qo6 s TYR 94 Ca 0.78 -1.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.28 1qo6 s TYR 94 Cb -0.21 -0.71 -0.05 0.00 0.38 0.00 0.00 41.96 41.38 1qo6 s TYR 94 CO 0.31 -0.27 -0.02 -1.54 -1.52 0.00 0.00 175.55 172.51 1qo6 s SER 95 N -3.19 1.32 0.70 -0.18 1.04 0.15 -1.08 113.70 112.46 1qo6 s SER 95 Ca 0.27 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.57 1qo6 s SER 95 Cb 0.07 0.09 0.13 0.00 0.10 0.00 0.00 66.02 66.41 1qo6 s SER 95 CO 0.06 -0.52 0.92 0.49 0.98 0.00 0.00 173.24 175.17 1qo6 n PHE 96 N -0.22 -2.92 -3.67 5.02 3.72 -1.22 0.20 117.46 118.38 1qo6 n PHE 96 Ca -0.08 -1.67 -0.15 0.00 -0.05 0.00 0.00 57.45 55.50 1qo6 n PHE 96 Cb 0.63 -0.67 -0.08 0.00 -0.94 0.00 0.00 39.48 38.42 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 n THR 98 N 1.58 0.00 0.00 0.00 5.66 -1.22 -4.05 114.28 116.25 1qo6 n THR 98 Ca -0.19 0.33 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 1qo6 n THR 98 Cb 0.56 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1qo6 n ASP 99 N -1.98 0.00 0.00 1.09 2.03 -1.26 -4.14 116.55 112.29 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1qo6 n HIS 100 N 0.00 0.00 -1.74 -0.67 -0.00 -1.26 -5.12 115.22 106.43 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 -2.37 0.46 0.00 0.00 176.34 174.43