#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 h GLY 2 N 0.00 0.10 -2.62 -7.48 0.00 -2.00 -3.47 103.07 87.61 1qo6 h GLY 2 Ca 0.00 -0.27 -0.57 0.00 0.00 0.00 0.00 47.33 46.49 1qo6 h GLY 2 CO 0.00 0.23 0.06 1.42 0.00 0.00 0.00 176.54 178.26 1qo6 n HIS 3 N -4.23 0.62 -4.34 5.60 8.25 -1.26 -2.81 115.22 117.04 1qo6 n HIS 3 Ca -0.27 0.43 -0.23 0.00 -0.26 0.00 0.00 57.72 57.39 1qo6 n HIS 3 Cb 0.75 -2.11 -0.08 0.00 1.12 0.00 0.00 29.99 29.67 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qo6 n VAL 5 N -0.80 0.00 -2.45 0.00 0.24 -1.26 0.26 118.33 114.32 1qo6 n VAL 5 Ca -0.06 -0.52 -0.22 0.00 -2.04 0.00 0.00 64.34 61.50 1qo6 n VAL 5 Cb 0.59 0.40 0.01 0.00 -1.47 0.00 0.00 33.84 33.38 1qo6 n VAL 5 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1qo6 n THR 6 N -0.22 2.11 0.00 3.34 -2.24 -1.18 -4.93 114.28 111.16 1qo6 n THR 6 Ca -0.02 -4.38 0.00 0.00 -2.27 0.00 0.00 64.05 57.38 1qo6 n THR 6 Cb 0.23 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.46 0.00 0.00 3.42 -0.08 -1.26 -4.21 116.55 113.96 1qo6 n ASP 7 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1qo6 n ASP 7 Cb 0.75 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.21 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1qo6 n SER 8 N 2.53 0.00 0.01 1.67 2.88 -1.26 -5.06 113.62 114.39 1qo6 n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qo6 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qo6 n GLY 9 N 0.00 -0.50 3.32 0.46 0.00 -1.26 -5.13 105.19 102.08 1qo6 n GLY 9 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1qo6 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 10 N -2.00 2.04 -0.78 1.61 1.01 -1.26 -4.99 120.40 116.03 1qo6 s VAL 10 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 1qo6 s VAL 10 Cb 0.00 -1.75 0.19 0.00 0.00 0.00 0.00 36.38 34.83 1qo6 s VAL 10 CO 0.00 0.35 0.63 -0.69 0.00 0.00 0.00 175.10 175.39 1qo6 s VAL 11 N -0.79 4.08 0.63 2.92 1.01 -1.26 -3.10 120.40 123.88 1qo6 s VAL 11 Ca 0.11 -3.50 -0.09 0.00 0.00 0.00 0.00 61.98 58.50 1qo6 s VAL 11 Cb -0.10 -3.58 0.14 0.00 0.00 0.00 0.00 36.38 32.84 1qo6 s VAL 11 CO 0.02 -1.00 0.86 -1.22 0.00 0.00 0.00 175.10 173.76 1qo6 n TYR 12 N 2.81 -3.78 -4.00 5.22 4.01 0.73 -4.87 117.16 117.28 1qo6 n TYR 12 Ca 0.16 -0.90 -0.12 0.00 -0.16 0.00 0.00 57.90 56.88 1qo6 n TYR 12 Cb 0.37 -0.66 -0.12 0.00 -0.31 0.00 0.00 39.34 38.62 1qo6 n TYR 12 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qo6 s SER 13 N -4.21 0.37 -0.75 7.72 0.15 -1.26 -0.58 113.70 115.13 1qo6 s SER 13 Ca 0.50 -0.32 -0.07 0.00 0.70 0.00 0.00 55.95 56.76 1qo6 s SER 13 Cb -0.02 0.03 -0.26 0.00 -1.71 0.00 0.00 66.02 64.07 1qo6 s SER 13 CO 0.35 -0.15 1.70 0.55 1.20 0.00 0.00 173.24 176.90 1qo6 n VAL 14 N 2.16 0.00 0.00 4.45 3.14 -1.12 0.46 118.33 127.41 1qo6 n VAL 14 Ca -0.19 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1qo6 n VAL 14 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 4.52 1.77 2.58 7.55 0.00 -0.94 -5.03 105.19 115.63 1qo6 n GLY 15 Ca 0.51 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.35 2.85 -0.78 1.61 2.00 0.17 -5.02 117.12 117.60 1qo6 n MET 16 Ca 0.00 -3.56 -0.30 0.00 0.00 0.00 0.00 57.70 53.84 1qo6 n MET 16 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 33.22 30.90 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 -0.70 0.00 -3.66 0.03 6.02 -1.26 -4.83 117.38 112.98 1qo6 n GLN 17 Ca 0.56 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.39 1qo6 n GLN 17 Cb 0.50 -0.67 -0.05 0.00 1.02 0.00 0.00 30.24 31.03 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 1.81 -0.27 -3.94 1.08 2.14 0.08 -5.02 117.44 113.33 1qo6 n TRP 18 Ca 0.14 -1.95 -0.10 0.00 2.07 0.00 0.00 57.50 57.66 1qo6 n TRP 18 Cb -0.03 0.11 -0.10 0.00 -0.81 0.00 0.00 31.31 30.48 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 1.93 0.32 5.67 2.96 -1.26 -1.28 118.68 127.02 1qo6 s LEU 19 Ca 0.22 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1qo6 s LEU 19 Cb 0.01 0.42 -0.05 0.00 0.50 0.00 0.00 46.19 47.07 1qo6 s LEU 19 CO 0.16 -0.40 0.10 -1.59 -1.32 0.00 0.00 176.35 173.30 1qo6 s LYS 20 N -1.89 1.63 0.07 1.98 -2.85 0.23 -4.82 119.74 114.10 1qo6 s LYS 20 Ca -0.11 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 52.94 1qo6 s LYS 20 Cb -0.06 -0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 35.12 1qo6 s LYS 20 CO -0.02 -0.31 -0.05 0.99 0.10 0.00 0.00 175.35 176.06 1qo6 s THR 21 N -3.45 0.47 -0.10 3.79 2.01 -1.26 -1.86 115.64 115.24 1qo6 s THR 21 Ca 0.34 -1.85 0.08 0.00 0.31 0.00 0.00 61.69 60.57 1qo6 s THR 21 Cb 0.07 -1.57 -0.11 0.00 0.01 0.00 0.00 72.50 70.90 1qo6 s THR 21 CO 0.15 -0.92 0.21 0.00 -0.69 0.00 0.00 174.62 173.37 1qo6 n GLN 22 N 0.08 1.37 0.00 4.92 1.13 -1.26 -4.96 117.38 118.66 1qo6 n GLN 22 Ca -0.13 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 1qo6 n GLN 22 Cb 0.61 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.86 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qo6 n GLY 23 N 1.83 3.93 0.00 1.08 0.00 -1.26 -4.84 105.19 105.92 1qo6 n GLY 23 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.49 -0.67 1.61 2.85 -1.26 -5.09 115.26 113.19 1qo6 n ASN 24 Ca 0.00 -1.13 0.00 0.00 -0.11 0.00 0.00 54.58 53.34 1qo6 n ASN 24 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1qo6 n LYS 25 N -0.07 1.70 -3.67 1.20 5.02 -1.26 -5.17 118.16 115.92 1qo6 n LYS 25 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1qo6 n LYS 25 Cb 0.25 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.16 1qo6 n LYS 25 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1qo6 s GLN 26 N -0.30 0.30 -0.06 1.97 0.74 -1.26 -4.24 119.66 116.81 1qo6 s GLN 26 Ca 0.00 0.94 0.03 0.00 0.05 0.00 0.00 55.36 56.38 1qo6 s GLN 26 Cb 0.00 0.21 0.01 0.00 1.10 0.00 0.00 33.01 34.33 1qo6 s GLN 26 CO 0.00 -0.24 -0.13 1.41 -0.55 0.00 0.00 175.29 175.78 1qo6 s MET 27 N 2.38 1.65 -0.22 1.67 1.75 -0.78 -1.56 119.30 124.19 1qo6 s MET 27 Ca -0.02 -0.43 -0.09 0.00 -1.25 0.00 0.00 55.69 53.90 1qo6 s MET 27 Cb -0.11 -1.38 -0.04 0.00 2.84 0.00 0.00 34.83 36.13 1qo6 s MET 27 CO -0.12 0.07 0.11 -1.17 -0.65 0.00 0.00 175.02 173.25 1qo6 s LEU 28 N 0.53 3.87 -0.00 4.11 0.20 -0.99 0.74 118.68 127.13 1qo6 s LEU 28 Ca -0.12 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.76 1qo6 s LEU 28 Cb -0.14 -2.02 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 1qo6 s LEU 28 CO 0.03 0.09 -0.02 0.00 -0.29 0.00 0.00 176.35 176.16 1qo6 s THR 30 N -1.05 0.04 -0.39 0.00 2.01 0.42 -0.74 115.64 115.94 1qo6 s THR 30 Ca 0.18 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 1qo6 s THR 30 Cb -0.11 -0.58 0.07 0.00 0.01 0.00 0.00 72.50 71.89 1qo6 s THR 30 CO 0.09 -0.16 0.20 0.00 -0.69 0.00 0.00 174.62 174.05 1qo6 n LEU 32 N 4.83 0.00 0.00 0.00 -0.00 -1.01 -2.22 117.00 118.60 1qo6 n LEU 32 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 1qo6 n LEU 32 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1qo6 n LEU 32 CO 0.36 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.36 1qo6 n GLY 33 N 3.43 -0.00 0.13 1.47 0.00 -1.26 -4.50 105.19 104.47 1qo6 n GLY 33 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.49 115.58 110.66 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 0.63 0.00 0.61 0.07 0.00 0.00 177.43 178.74 1qo6 n GLY 35 N 0.52 0.61 2.76 9.14 0.00 -1.26 -5.14 105.19 111.83 1qo6 n GLY 35 Ca -0.01 0.34 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 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 2.01 0.32 -0.11 1.61 1.01 -1.26 -2.41 120.40 121.56 1qo6 s VAL 36 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1qo6 s VAL 36 Cb 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1qo6 s VAL 36 CO 0.00 0.25 -0.09 -0.55 0.00 0.00 0.00 175.10 174.70 1qo6 s SER 37 N 1.99 4.36 0.21 3.32 0.15 0.29 -4.88 113.70 119.15 1qo6 s SER 37 Ca 0.05 -0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.60 1qo6 s SER 37 Cb -0.12 -1.42 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 1qo6 s SER 37 CO -0.05 0.24 -0.16 0.00 1.20 0.00 0.00 173.24 174.47 1qo6 s GLN 39 N -3.49 2.80 0.16 0.00 0.74 0.50 -4.91 119.66 115.45 1qo6 s GLN 39 Ca 0.23 -2.19 -0.31 0.00 0.05 0.00 0.00 55.36 53.13 1qo6 s GLN 39 Cb -0.02 -4.00 -0.11 0.00 1.10 0.00 0.00 33.01 29.98 1qo6 s GLN 39 CO 0.08 -1.22 1.72 -1.83 -0.55 0.00 0.00 175.29 173.49 1qo6 s GLU 40 N 0.60 4.15 0.00 1.67 1.03 -1.26 -2.35 118.70 122.54 1qo6 s GLU 40 Ca 0.12 2.53 0.00 0.00 0.03 0.00 0.00 54.97 57.65 1qo6 s GLU 40 Cb -0.20 -3.30 0.00 0.00 -0.80 0.00 0.00 34.13 29.82 1qo6 s GLU 40 CO -0.04 -0.75 0.00 2.41 -1.33 0.00 0.00 175.26 175.55 1qo6 n THR 41 N 4.29 0.00 -4.60 1.83 -1.04 -0.60 -4.97 114.28 109.19 1qo6 n THR 41 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1qo6 n THR 41 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 -0.54 2.41 0.00 -1.13 -4.03 120.51 117.22 1qo6 n ALA 42 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1qo6 n ALA 42 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 0.00 0.24 -1.26 -5.03 118.33 112.27 1qo6 n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1qo6 n VAL 43 Cb 0.00 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1qo6 n VAL 43 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1qo6 n THR 44 N -1.57 0.00 -2.83 3.34 5.66 -1.26 -4.95 114.28 112.67 1qo6 n THR 44 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1qo6 n THR 44 Cb 0.16 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.96 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qo6 s GLN 45 N -2.00 2.70 0.01 1.09 -1.52 -1.26 -5.05 119.66 113.62 1qo6 s GLN 45 Ca 0.00 -0.97 -0.06 0.00 -1.95 0.00 0.00 55.36 52.38 1qo6 s GLN 45 Cb 0.00 -2.61 -0.00 0.00 -0.22 0.00 0.00 33.01 30.18 1qo6 s GLN 45 CO 0.00 -0.49 0.11 0.95 -0.25 0.00 0.00 175.29 175.61 1qo6 s THR 46 N -2.57 0.09 -0.09 -0.19 -4.23 -1.26 -4.23 115.64 103.17 1qo6 s THR 46 Ca 0.56 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1qo6 s THR 46 Cb -0.10 -0.41 0.04 0.00 1.34 0.00 0.00 72.50 73.37 1qo6 s THR 46 CO 0.36 -0.40 0.20 -0.72 -0.54 0.00 0.00 174.62 173.52 1qo6 s TYR 47 N -1.41 -0.26 0.00 3.99 1.13 -1.26 -4.73 117.35 114.81 1qo6 s TYR 47 Ca -0.15 0.66 0.00 0.00 -1.41 0.00 0.00 57.07 56.17 1qo6 s TYR 47 Cb -0.08 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.76 1qo6 s TYR 47 CO 0.01 -0.21 0.00 0.41 -2.51 0.00 0.00 175.55 173.25 1qo6 n GLY 48 N 4.26 2.14 7.00 5.49 0.00 -1.19 -4.03 105.19 118.87 1qo6 n GLY 48 Ca -0.25 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 2.14 0.00 -0.02 0.00 -1.26 -0.55 105.19 105.50 1qo6 n GLY 49 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 9.53 0.53 -0.37 1.61 5.15 0.50 -4.71 115.26 127.49 1qo6 n ASN 50 Ca 0.00 -0.81 0.01 0.00 -0.60 0.00 0.00 54.58 53.18 1qo6 n ASN 50 Cb 0.00 0.24 0.02 0.00 -0.53 0.00 0.00 39.78 39.51 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1qo6 n SER 51 N -0.24 0.34 0.00 1.20 2.88 -0.97 -4.63 113.62 112.21 1qo6 n SER 51 Ca 0.00 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1qo6 n SER 51 Cb 0.04 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.19 -3.49 -0.09 -3.46 2.85 0.04 -2.82 115.26 108.10 1qo6 n ASN 52 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1qo6 n ASN 52 Cb 0.66 -2.12 0.00 0.00 1.24 0.00 0.00 39.78 39.56 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 -0.95 0.87 3.87 8.20 0.00 0.28 -3.14 105.19 114.32 1qo6 n GLY 53 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.45 2.61 -0.08 1.61 0.41 -1.13 -4.73 118.70 116.94 1qo6 s GLU 54 Ca 0.00 0.47 -0.29 0.00 -0.41 0.00 0.00 54.97 54.74 1qo6 s GLU 54 Cb 0.00 -1.99 -0.07 0.00 -1.78 0.00 0.00 34.13 30.29 1qo6 s GLU 54 CO 0.00 -1.21 2.08 -1.25 -0.49 0.00 0.00 175.26 174.38 1qo6 s PRO 55 N -5.33 3.68 0.00 0.39 0.04 -1.26 -4.86 135.00 127.66 1qo6 s PRO 55 Ca 0.59 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1qo6 s PRO 55 Cb -0.12 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1qo6 s PRO 55 CO 0.52 -1.48 0.00 0.00 0.04 0.00 0.00 177.00 176.08 1qo6 n VAL 57 N -2.41 0.25 -3.60 0.00 3.14 0.76 -4.68 118.33 111.80 1qo6 n VAL 57 Ca 0.00 -2.93 -0.20 0.00 -2.96 0.00 0.00 64.34 58.25 1qo6 n VAL 57 Cb 0.00 0.61 -0.03 0.00 -1.06 0.00 0.00 33.84 33.36 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 -2.75 3.58 0.07 6.55 -0.00 -1.26 -3.96 118.68 120.90 1qo6 s LEU 58 Ca 0.29 -0.54 -0.31 0.00 -0.00 0.00 0.00 54.13 53.58 1qo6 s LEU 58 Cb 0.38 -2.27 -0.07 0.00 -0.00 0.00 0.00 46.19 44.23 1qo6 s LEU 58 CO -0.04 -0.51 1.32 -2.16 -0.00 0.00 0.00 176.35 174.96 1qo6 s PRO 59 N -4.10 4.35 0.57 1.48 0.04 -1.26 -4.99 135.00 131.08 1qo6 s PRO 59 Ca 0.45 1.94 0.05 0.00 0.04 0.00 0.00 61.00 63.49 1qo6 s PRO 59 Cb -0.06 -3.35 0.05 0.00 0.04 0.00 0.00 34.50 31.18 1qo6 s PRO 59 CO 0.28 -0.41 0.44 -0.59 0.04 0.00 0.00 177.00 176.77 1qo6 s PHE 60 N 1.38 1.45 -0.15 0.56 -0.12 -0.78 -4.87 117.98 115.46 1qo6 s PHE 60 Ca 0.62 -0.88 0.02 0.00 -0.05 0.00 0.00 56.93 56.64 1qo6 s PHE 60 Cb -0.33 -1.90 0.01 0.00 -0.63 0.00 0.00 43.02 40.17 1qo6 s PHE 60 CO 0.29 -0.58 -0.21 0.99 -0.05 0.00 0.00 175.22 175.66 1qo6 s THR 61 N -2.80 2.00 -0.02 -4.49 2.01 -1.26 -1.72 115.64 109.36 1qo6 s THR 61 Ca 0.34 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1qo6 s THR 61 Cb -0.03 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.72 1qo6 s THR 61 CO 0.21 0.54 0.01 -0.47 -0.69 0.00 0.00 174.62 174.22 1qo6 s TYR 62 N 0.95 0.09 0.00 4.92 5.04 -0.81 -4.81 117.35 122.74 1qo6 s TYR 62 Ca -0.04 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1qo6 s TYR 62 Cb -0.15 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 41.96 1qo6 s TYR 62 CO -0.04 -0.07 0.00 0.27 -1.34 0.00 0.00 175.55 174.37 1qo6 n ASN 63 N 3.81 -5.40 0.00 4.32 0.23 -1.26 -1.68 115.26 115.27 1qo6 n ASN 63 Ca -0.23 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.82 1qo6 n ASN 63 Cb 0.53 -3.07 0.00 0.00 -2.08 0.00 0.00 39.78 35.16 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qo6 n GLY 64 N 0.38 2.01 0.00 4.83 0.00 -1.26 -5.08 105.19 106.07 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 -1.02 2.94 -3.89 1.61 1.85 -0.68 -5.09 116.66 112.38 1qo6 n ARG 65 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qo6 s THR 66 N 1.68 0.06 -0.04 8.89 2.01 -1.26 -1.92 115.64 125.06 1qo6 s THR 66 Ca 0.00 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 1qo6 s THR 66 Cb 0.00 -0.28 0.03 0.00 0.01 0.00 0.00 72.50 72.25 1qo6 s THR 66 CO 0.00 -0.28 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.29 1qo6 s PHE 67 N -0.91 0.45 -1.81 4.92 0.40 -0.70 -4.96 117.98 115.37 1qo6 s PHE 67 Ca -0.10 -0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.26 1qo6 s PHE 67 Cb -0.06 -0.56 0.25 0.00 0.51 0.00 0.00 43.02 43.16 1qo6 s PHE 67 CO 0.00 -0.20 1.17 0.66 0.70 0.00 0.00 175.22 177.55 1qo6 n TYR 68 N 4.50 0.43 -3.09 0.36 4.02 -1.26 -1.86 117.16 120.25 1qo6 n TYR 68 Ca -0.19 -0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.51 1qo6 n TYR 68 Cb 0.50 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1qo6 n TYR 68 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1qo6 n SER 69 N 0.29 0.00 -4.19 7.72 3.41 -1.26 -4.50 113.62 115.09 1qo6 n SER 69 Ca 0.09 -0.88 -0.29 0.00 -0.26 0.00 0.00 58.87 57.53 1qo6 n SER 69 Cb 0.28 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.48 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qo6 s THR 71 N -2.29 0.00 -0.14 0.00 -1.32 0.10 -4.89 115.64 107.11 1qo6 s THR 71 Ca 0.64 -0.28 0.15 0.00 -1.21 0.00 0.00 61.69 60.99 1qo6 s THR 71 Cb -0.19 -1.49 0.31 0.00 -1.51 0.00 0.00 72.50 69.62 1qo6 s THR 71 CO 0.63 0.00 1.16 0.35 -2.21 0.00 0.00 174.62 174.55 1qo6 n THR 72 N -0.35 1.75 0.11 5.08 -2.24 -1.26 -0.70 114.28 116.68 1qo6 n THR 72 Ca -0.07 -2.31 -0.17 0.00 -2.27 0.00 0.00 64.05 59.24 1qo6 n THR 72 Cb 0.61 -0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qo6 h GLU 73 N 0.31 0.31 -2.32 -0.78 4.39 -1.96 -3.36 114.58 111.17 1qo6 h GLU 73 Ca -0.01 -0.52 -0.70 0.00 0.34 0.00 0.00 59.36 58.47 1qo6 h GLU 73 Cb 1.07 0.19 -0.35 0.00 -0.10 0.00 0.00 28.75 29.56 1qo6 h GLU 73 CO 0.00 1.24 0.17 0.41 -1.16 0.00 0.00 179.01 179.67 1qo6 n GLY 74 N 1.52 5.71 3.51 -3.84 0.00 -1.26 -4.99 105.19 105.84 1qo6 n GLY 74 Ca -0.09 -2.69 -0.10 0.00 0.00 0.00 0.00 46.02 43.13 1qo6 n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qo6 s ARG 75 N -3.66 1.37 -0.04 1.61 1.70 -1.26 -5.02 118.95 113.65 1qo6 s ARG 75 Ca 0.42 -0.68 0.09 0.00 -0.47 0.00 0.00 55.73 55.09 1qo6 s ARG 75 Cb 0.21 0.57 0.15 0.00 -0.57 0.00 0.00 34.95 35.30 1qo6 s ARG 75 CO -0.10 -0.60 1.07 0.00 -1.08 0.00 0.00 175.30 174.59 1qo6 n GLN 76 N -0.37 0.39 -0.04 3.89 10.64 -1.26 -4.86 117.38 125.77 1qo6 n GLN 76 Ca -0.13 -1.63 -0.09 0.00 -1.83 0.00 0.00 57.00 53.32 1qo6 n GLN 76 Cb 0.63 -0.73 -0.03 0.00 -0.86 0.00 0.00 30.24 29.25 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 -0.33 1.15 0.00 2.61 -0.08 -1.26 -5.06 116.55 113.57 1qo6 n ASP 77 Ca 0.06 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1qo6 n ASP 77 Cb 0.74 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.77 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 2.38 1.26 3.19 0.27 0.00 -1.26 -5.13 105.19 105.89 1qo6 n GLY 78 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.36 2.57 -0.05 1.61 3.76 -1.26 -5.08 115.29 115.48 1qo6 s HIS 79 Ca 0.00 -1.18 -0.37 0.00 -0.15 0.00 0.00 55.06 53.36 1qo6 s HIS 79 Cb 0.00 -1.74 -0.15 0.00 1.11 0.00 0.00 32.58 31.80 1qo6 s HIS 79 CO 0.00 -0.51 1.60 1.28 -0.85 0.00 0.00 174.74 176.26 1qo6 n LEU 80 N 3.80 2.43 -4.44 0.89 4.32 -1.25 -4.76 117.00 117.99 1qo6 n LEU 80 Ca -0.20 1.07 -0.24 0.00 -0.02 0.00 0.00 56.01 56.63 1qo6 n LEU 80 Cb 0.52 -1.24 -0.10 0.00 -1.62 0.00 0.00 43.42 40.98 1qo6 n LEU 80 CO 0.27 -0.55 -0.49 -1.66 -1.22 0.00 0.00 177.39 173.75 1qo6 s TRP 81 N 2.17 2.22 0.10 -1.77 1.48 0.13 0.22 118.94 123.49 1qo6 s TRP 81 Ca 0.90 -0.36 -0.05 0.00 -1.06 0.00 0.00 56.10 55.52 1qo6 s TRP 81 Cb -0.90 -1.00 -0.02 0.00 -1.16 0.00 0.00 33.47 30.39 1qo6 s TRP 81 CO 0.52 0.63 0.12 0.00 -4.06 0.00 0.00 176.95 174.16 1qo6 s SER 83 N -2.92 6.33 0.00 0.00 0.15 -1.26 0.24 113.70 116.23 1qo6 s SER 83 Ca 0.11 0.37 0.13 0.00 0.70 0.00 0.00 55.95 57.26 1qo6 s SER 83 Cb 0.06 -2.16 0.48 0.00 -1.71 0.00 0.00 66.02 62.69 1qo6 s SER 83 CO -0.07 0.06 1.36 0.35 1.20 0.00 0.00 173.24 176.14 1qo6 n THR 84 N 3.92 0.28 -3.64 6.45 -2.24 -0.99 0.27 114.28 118.33 1qo6 n THR 84 Ca -0.12 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1qo6 n THR 84 Cb 0.52 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.72 -0.00 0.27 4.28 2.01 -1.26 -4.63 115.64 114.59 1qo6 s THR 85 Ca 0.23 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 1qo6 s THR 85 Cb 0.12 -0.98 0.41 0.00 0.01 0.00 0.00 72.50 72.06 1qo6 s THR 85 CO 0.17 0.00 1.57 0.28 -0.69 0.00 0.00 174.62 175.96 1qo6 h SER 86 N 5.32 -0.83 -0.98 3.53 0.02 -1.88 -3.02 113.55 115.71 1qo6 h SER 86 Ca -0.29 0.28 -0.68 0.00 -0.84 0.00 0.00 61.79 60.26 1qo6 h SER 86 Cb 1.17 0.57 -0.09 0.00 0.14 0.00 0.00 62.40 64.19 1qo6 h SER 86 CO 0.07 -0.31 2.07 0.20 -1.14 0.00 0.00 176.83 177.72 1qo6 s ASN 87 N -5.24 6.82 0.02 3.07 0.02 -1.26 -4.70 114.94 113.67 1qo6 s ASN 87 Ca -0.15 -2.37 -0.06 0.00 -1.02 0.00 0.00 52.86 49.26 1qo6 s ASN 87 Cb 0.26 -2.57 -0.29 0.00 0.02 0.00 0.00 41.25 38.67 1qo6 s ASN 87 CO 0.77 -1.18 0.94 0.22 0.02 0.00 0.00 177.10 177.87 1qo6 h TYR 88 N 7.79 0.55 0.00 2.20 3.20 -1.91 0.20 116.97 129.01 1qo6 h TYR 88 Ca 0.41 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1qo6 h TYR 88 Cb 0.89 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1qo6 h TYR 88 CO 1.39 1.40 0.00 0.39 -1.64 0.00 0.00 178.16 179.70 1qo6 n GLU 89 N -3.52 0.97 0.00 1.82 1.02 -1.26 -1.16 120.64 118.51 1qo6 n GLU 89 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1qo6 n GLU 89 Cb 1.05 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 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 -0.81 0.00 0.05 3.49 -0.06 -1.22 -4.80 117.38 114.04 1qo6 n GLN 90 Ca 0.14 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 55.03 1qo6 n GLN 90 Cb 0.07 -0.65 -0.13 0.00 -4.06 0.00 0.00 30.24 25.47 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 0.00 0.18 -5.92 1.69 1.82 -1.04 -3.48 116.42 109.67 1qo6 h ASP 91 Ca 0.00 -0.23 -0.38 0.00 -0.39 0.00 0.00 57.03 56.03 1qo6 h ASP 91 Cb 0.92 -0.06 0.10 0.00 0.68 0.00 0.00 39.33 40.97 1qo6 h ASP 91 CO 0.00 1.19 -0.82 0.00 -1.61 0.00 0.00 179.24 178.00 1qo6 n GLN 92 N -3.36 -4.99 -3.51 0.28 3.00 -0.31 -4.96 117.38 103.53 1qo6 n GLN 92 Ca -0.09 0.70 -0.27 0.00 -0.01 0.00 0.00 57.00 57.33 1qo6 n GLN 92 Cb 1.00 -5.37 -0.10 0.00 0.00 0.00 0.00 30.24 25.78 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1qo6 n LYS 93 N -4.15 1.23 -2.61 -1.09 0.00 -1.26 -5.05 118.16 105.23 1qo6 n LYS 93 Ca -0.27 -3.86 -0.22 0.00 -0.00 0.00 0.00 58.31 53.95 1qo6 n LYS 93 Cb 0.67 -1.88 0.07 0.00 -0.00 0.00 0.00 35.03 33.90 1qo6 n LYS 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1qo6 s TYR 94 N -1.13 2.19 0.00 5.58 -0.85 -1.26 -2.35 117.35 119.53 1qo6 s TYR 94 Ca 0.32 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.72 1qo6 s TYR 94 Cb 0.06 -2.86 0.00 0.00 0.38 0.00 0.00 41.96 39.54 1qo6 s TYR 94 CO -0.14 -1.31 0.00 0.43 -1.52 0.00 0.00 175.55 173.02 1qo6 n SER 95 N -2.59 1.29 -3.81 -0.18 7.64 0.67 -0.37 113.62 116.26 1qo6 n SER 95 Ca 0.12 -0.39 -0.24 0.00 1.01 0.00 0.00 58.87 59.37 1qo6 n SER 95 Cb 0.60 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qo6 n PHE 96 N 0.00 0.55 -3.68 1.43 3.72 -1.25 -2.15 117.46 116.07 1qo6 n PHE 96 Ca 0.00 -2.08 -0.10 0.00 -0.05 0.00 0.00 57.45 55.23 1qo6 n PHE 96 Cb 0.00 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.29 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 4.68 0.62 -0.48 0.00 5.66 -1.26 -3.92 114.28 119.58 1qo6 n THR 98 Ca -0.18 -0.80 0.42 0.00 -3.05 0.00 0.00 64.05 60.44 1qo6 n THR 98 Cb 0.53 0.86 0.69 0.00 -1.55 0.00 0.00 70.33 70.87 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1qo6 h ASP 99 N 4.45 0.00 0.00 1.09 1.82 -1.95 -3.43 116.42 118.40 1qo6 h ASP 99 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1qo6 h ASP 99 Cb 0.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.00 1qo6 h ASP 99 CO 0.00 0.00 0.00 1.57 -1.61 0.00 0.00 179.24 179.20 1qo6 n HIS 100 N -3.72 0.00 -1.72 0.28 -0.00 -1.26 -5.17 115.22 103.63 1qo6 n HIS 100 Ca 0.34 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.52 1qo6 n HIS 100 Cb 1.74 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.61 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43