#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 0.65 3.08 2.98 0.00 -1.26 -4.93 105.19 105.72 1qo6 n GLY 2 Ca 0.00 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.91 0.90 -0.18 1.61 3.76 -1.26 -3.10 115.29 116.10 1qo6 s HIS 3 Ca 0.00 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.55 1qo6 s HIS 3 Cb 0.00 -0.54 0.01 0.00 1.11 0.00 0.00 32.58 33.16 1qo6 s HIS 3 CO 0.00 -0.01 -0.15 0.00 -0.85 0.00 0.00 174.74 173.73 1qo6 s VAL 5 N 1.23 0.23 -1.47 0.00 0.11 -1.26 0.29 120.40 119.52 1qo6 s VAL 5 Ca 0.03 -0.10 0.29 0.00 -2.93 0.00 0.00 61.98 59.26 1qo6 s VAL 5 Cb -0.14 -0.22 0.40 0.00 -1.53 0.00 0.00 36.38 34.90 1qo6 s VAL 5 CO -0.07 0.08 1.87 0.35 -3.33 0.00 0.00 175.10 173.99 1qo6 n THR 6 N 3.16 0.00 -0.45 5.04 -2.24 -1.21 -4.90 114.28 113.68 1qo6 n THR 6 Ca -0.14 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1qo6 n THR 6 Cb 0.58 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.13 0.00 0.06 3.42 -0.08 -1.26 -4.85 116.55 112.71 1qo6 n ASP 7 Ca 0.13 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.44 1qo6 n ASP 7 Cb 0.28 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.70 1qo6 n ASP 7 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1qo6 h SER 8 N 0.00 0.00 0.00 1.67 0.02 -2.03 -3.47 113.55 109.74 1qo6 h SER 8 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qo6 h SER 8 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1qo6 h SER 8 CO 0.00 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.70 1qo6 n GLY 9 N 1.32 0.57 3.47 -3.77 0.00 -1.26 -5.09 105.19 100.42 1qo6 n GLY 9 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 4.23 -1.19 1.61 1.01 -1.26 -4.96 120.40 119.84 1qo6 s VAL 10 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1qo6 s VAL 10 Cb 0.00 -4.74 0.17 0.00 0.00 0.00 0.00 36.38 31.81 1qo6 s VAL 10 CO 0.00 -1.55 1.41 -0.69 0.00 0.00 0.00 175.10 174.27 1qo6 s VAL 11 N 4.29 5.03 0.60 2.92 1.01 -1.26 -3.32 120.40 129.67 1qo6 s VAL 11 Ca 0.26 -2.59 -0.10 0.00 0.00 0.00 0.00 61.98 59.55 1qo6 s VAL 11 Cb -0.14 -4.90 0.15 0.00 0.00 0.00 0.00 36.38 31.49 1qo6 s VAL 11 CO 0.09 -1.61 0.55 -1.22 0.00 0.00 0.00 175.10 172.91 1qo6 n TYR 12 N 5.66 -3.48 -3.85 5.22 4.01 0.82 -4.84 117.16 120.70 1qo6 n TYR 12 Ca 0.36 -0.50 -0.12 0.00 -0.16 0.00 0.00 57.90 57.48 1qo6 n TYR 12 Cb 0.43 -0.56 -0.11 0.00 -0.31 0.00 0.00 39.34 38.79 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 -3.00 -0.05 -0.53 7.72 0.01 -1.26 -1.80 113.70 114.79 1qo6 s SER 13 Ca 0.35 0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.60 1qo6 s SER 13 Cb -0.03 0.24 -0.18 0.00 0.21 0.00 0.00 66.02 66.26 1qo6 s SER 13 CO 0.27 -0.19 1.19 0.55 0.41 0.00 0.00 173.24 175.48 1qo6 n VAL 14 N 2.32 0.00 0.00 3.43 3.14 -1.18 -0.39 118.33 125.66 1qo6 n VAL 14 Ca -0.17 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 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 3.16 0.88 2.49 7.55 0.00 0.70 -4.78 105.19 115.20 1qo6 n GLY 15 Ca 0.36 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 2.95 -0.89 1.61 2.00 0.48 -5.03 117.12 118.25 1qo6 n MET 16 Ca 0.00 -4.21 -0.30 0.00 0.00 0.00 0.00 57.70 53.19 1qo6 n MET 16 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 33.22 31.17 1qo6 n MET 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1qo6 n GLN 17 N -0.41 0.00 -2.83 0.03 7.27 -1.26 -4.80 117.38 115.38 1qo6 n GLN 17 Ca 0.33 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.32 1qo6 n GLN 17 Cb 0.72 -0.65 -0.03 0.00 2.41 0.00 0.00 30.24 32.69 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 177.06 174.46 1qo6 n TRP 18 N -0.25 -0.57 -4.55 3.69 2.14 -0.20 -5.02 117.44 112.68 1qo6 n TRP 18 Ca 0.10 -1.14 -0.31 0.00 2.07 0.00 0.00 57.50 58.21 1qo6 n TRP 18 Cb 0.20 0.18 -0.11 0.00 -0.81 0.00 0.00 31.31 30.76 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 2.91 0.11 5.67 2.96 -1.26 -2.51 118.68 126.56 1qo6 s LEU 19 Ca 0.15 -0.28 0.09 0.00 -0.22 0.00 0.00 54.13 53.87 1qo6 s LEU 19 Cb 0.00 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1qo6 s LEU 19 CO 0.11 0.27 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.44 1qo6 s LYS 20 N -1.45 1.18 0.00 1.98 2.47 0.72 -4.83 119.74 119.81 1qo6 s LYS 20 Ca 0.16 -1.22 0.00 0.00 -1.56 0.00 0.00 55.97 53.35 1qo6 s LYS 20 Cb -0.11 -1.46 0.00 0.00 -1.46 0.00 0.00 37.83 34.81 1qo6 s LYS 20 CO 0.07 0.34 0.00 2.41 0.16 0.00 0.00 175.35 178.32 1qo6 n THR 21 N 0.97 0.00 -2.49 3.43 -1.04 -1.25 -1.12 114.28 112.77 1qo6 n THR 21 Ca -0.19 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.42 1qo6 n THR 21 Cb 0.54 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.02 1qo6 n THR 21 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1qo6 s GLN 22 N -1.00 3.14 0.00 -2.82 0.74 -1.26 -3.96 119.66 114.50 1qo6 s GLN 22 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.23 1qo6 s GLN 22 Cb 0.00 -4.25 0.00 0.00 1.10 0.00 0.00 33.01 29.86 1qo6 s GLN 22 CO 0.00 -2.22 0.00 0.41 -0.55 0.00 0.00 175.29 172.93 1qo6 n GLY 23 N 5.48 0.11 2.11 2.59 0.00 -1.26 -5.03 105.19 109.19 1qo6 n GLY 23 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.93 0.07 1.61 4.05 -1.25 -5.09 115.26 112.72 1qo6 n ASN 24 Ca 0.00 0.43 0.00 0.00 0.45 0.00 0.00 54.58 55.46 1qo6 n ASN 24 Cb 0.00 2.04 0.00 0.00 1.23 0.00 0.00 39.78 43.05 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 -2.95 0.00 -3.73 1.20 0.00 -1.26 -5.14 118.16 106.28 1qo6 n LYS 25 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1qo6 n LYS 25 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 34.90 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1qo6 s GLN 26 N -1.31 0.24 0.02 -1.58 -1.52 -1.26 -4.74 119.66 109.51 1qo6 s GLN 26 Ca 0.00 0.55 -0.19 0.00 -1.95 0.00 0.00 55.36 53.77 1qo6 s GLN 26 Cb 0.00 -0.08 0.04 0.00 -0.22 0.00 0.00 33.01 32.75 1qo6 s GLN 26 CO 0.00 -0.15 0.43 1.41 -0.25 0.00 0.00 175.29 176.73 1qo6 s MET 27 N 1.17 0.89 0.29 2.91 1.75 -0.27 0.25 119.30 126.29 1qo6 s MET 27 Ca -0.08 -0.25 0.12 0.00 -1.25 0.00 0.00 55.69 54.22 1qo6 s MET 27 Cb -0.09 0.40 -0.05 0.00 2.84 0.00 0.00 34.83 37.93 1qo6 s MET 27 CO -0.08 -0.29 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.30 1qo6 s LEU 28 N -1.77 2.62 -0.06 4.11 2.01 -0.44 0.26 118.68 125.40 1qo6 s LEU 28 Ca -0.08 -1.06 -0.05 0.00 0.01 0.00 0.00 54.13 52.96 1qo6 s LEU 28 Cb -0.02 -1.09 0.02 0.00 0.01 0.00 0.00 46.19 45.12 1qo6 s LEU 28 CO 0.00 -0.00 0.15 0.00 1.01 0.00 0.00 176.35 177.51 1qo6 s THR 30 N 0.34 0.75 -0.36 0.00 2.01 0.55 -1.03 115.64 117.90 1qo6 s THR 30 Ca -0.02 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.55 1qo6 s THR 30 Cb -0.03 -0.64 0.07 0.00 0.01 0.00 0.00 72.50 71.90 1qo6 s THR 30 CO -0.01 0.22 0.12 0.00 -0.69 0.00 0.00 174.62 174.26 1qo6 n LEU 32 N 4.68 0.00 0.00 0.00 -0.00 -1.07 -0.22 117.00 120.39 1qo6 n LEU 32 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 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 0.31 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 1qo6 n GLY 33 N 3.18 0.02 0.11 1.47 0.00 -1.26 -4.13 105.19 104.58 1qo6 n GLY 33 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.34 0.00 1.61 -1.07 -1.95 -3.48 115.58 111.03 1qo6 h ASN 34 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 56.30 55.86 1qo6 h ASN 34 Cb 0.00 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.14 1qo6 h ASN 34 CO 0.00 1.43 0.00 0.61 0.07 0.00 0.00 177.43 179.54 1qo6 n GLY 35 N 1.68 2.98 2.71 9.14 0.00 -1.26 -5.15 105.19 115.29 1qo6 n GLY 35 Ca -0.17 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 0.66 0.14 -0.36 1.61 1.01 -1.26 -2.61 120.40 119.58 1qo6 s VAL 36 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1qo6 s VAL 36 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1qo6 s VAL 36 CO 0.00 0.14 0.29 -0.55 0.00 0.00 0.00 175.10 174.98 1qo6 s SER 37 N 2.06 6.10 0.35 3.32 0.15 0.76 -4.82 113.70 121.62 1qo6 s SER 37 Ca 0.04 -0.53 0.07 0.00 0.70 0.00 0.00 55.95 56.24 1qo6 s SER 37 Cb -0.13 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1qo6 s SER 37 CO -0.05 -0.33 0.33 0.00 1.20 0.00 0.00 173.24 174.39 1qo6 s GLN 39 N -4.04 0.92 0.03 0.00 2.00 0.20 -4.95 119.66 113.83 1qo6 s GLN 39 Ca 0.43 -0.24 -0.30 0.00 -2.00 0.00 0.00 55.36 53.25 1qo6 s GLN 39 Cb -0.06 -1.62 -0.07 0.00 0.80 0.00 0.00 33.01 32.06 1qo6 s GLN 39 CO 0.27 -0.43 1.66 -1.21 -0.50 0.00 0.00 175.29 175.08 1qo6 s GLU 40 N 1.83 4.20 0.00 1.67 2.02 -1.26 -1.33 118.70 125.82 1qo6 s GLU 40 Ca 0.02 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.30 1qo6 s GLU 40 Cb -0.14 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.35 1qo6 s GLU 40 CO -0.07 -0.77 0.00 2.41 0.02 0.00 0.00 175.26 176.85 1qo6 n THR 41 N 4.98 0.00 -2.32 3.63 -1.04 0.71 -4.72 114.28 115.52 1qo6 n THR 41 Ca 0.16 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.13 1qo6 n THR 41 Cb 0.41 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.89 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 -3.50 -3.26 2.41 0.00 -1.20 -4.57 120.51 110.39 1qo6 n ALA 42 Ca 0.00 1.83 -0.10 0.00 0.00 0.00 0.00 53.44 55.17 1qo6 n ALA 42 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 19.45 15.82 1qo6 n ALA 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qo6 s VAL 43 N -0.51 0.00 -0.25 0.00 -7.23 -1.26 -5.07 120.40 106.08 1qo6 s VAL 43 Ca -0.22 -1.36 -0.26 0.00 -1.81 0.00 0.00 61.98 58.33 1qo6 s VAL 43 Cb 0.01 -2.39 0.13 0.00 0.56 0.00 0.00 36.38 34.69 1qo6 s VAL 43 CO 0.58 0.00 1.08 0.42 -0.31 0.00 0.00 175.10 176.87 1qo6 s THR 44 N -3.52 0.00 1.04 5.32 -4.23 -1.26 -5.05 115.64 107.94 1qo6 s THR 44 Ca 0.22 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.61 1qo6 s THR 44 Cb -0.02 -1.00 0.22 0.00 1.34 0.00 0.00 72.50 73.04 1qo6 s THR 44 CO 0.12 0.00 1.07 -1.10 -0.54 0.00 0.00 174.62 174.17 1qo6 s GLN 45 N -0.18 0.04 -0.15 3.99 -0.21 -1.26 -4.97 119.66 116.92 1qo6 s GLN 45 Ca 0.03 0.84 -0.09 0.00 0.02 0.00 0.00 55.36 56.16 1qo6 s GLN 45 Cb -0.04 -1.67 0.05 0.00 1.00 0.00 0.00 33.01 32.36 1qo6 s GLN 45 CO -0.05 -3.08 0.37 0.95 -2.12 0.00 0.00 175.29 171.36 1qo6 s THR 46 N -2.70 -0.03 0.00 -0.19 -4.23 -1.26 -3.75 115.64 103.49 1qo6 s THR 46 Ca 0.66 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 1qo6 s THR 46 Cb -0.22 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1qo6 s THR 46 CO 0.61 0.04 0.00 -1.22 -0.54 0.00 0.00 174.62 173.51 1qo6 n TYR 47 N 4.16 0.00 0.00 3.99 4.01 -1.26 -4.59 117.16 123.46 1qo6 n TYR 47 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1qo6 n TYR 47 Cb 0.55 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1qo6 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qo6 n GLY 48 N 2.18 -0.94 0.45 2.72 0.00 -1.26 -2.03 105.19 106.31 1qo6 n GLY 48 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1qo6 n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qo6 h GLY 49 N 0.00 -0.94 0.00 -0.02 0.00 -1.85 -3.19 103.07 97.08 1qo6 h GLY 49 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1qo6 h GLY 49 CO 0.00 -0.19 0.00 0.70 0.00 0.00 0.00 176.54 177.05 1qo6 n ASN 50 N -5.43 0.16 0.00 0.19 3.02 -1.19 -4.78 115.26 107.24 1qo6 n ASN 50 Ca -0.05 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1qo6 n ASN 50 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qo6 n SER 51 N -0.04 0.68 0.00 6.41 7.64 -1.07 -4.70 113.62 122.54 1qo6 n SER 51 Ca 0.00 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1qo6 n SER 51 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.03 -4.73 -0.09 6.43 4.05 -1.20 -4.58 115.26 115.10 1qo6 n ASN 52 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1qo6 n ASN 52 Cb 0.12 -2.32 0.00 0.00 1.23 0.00 0.00 39.78 38.82 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 -0.59 -1.83 3.58 8.20 0.00 -0.86 -4.25 105.19 109.45 1qo6 n GLY 53 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.98 0.44 -0.58 1.61 -1.05 -1.26 -4.92 118.70 108.96 1qo6 s GLU 54 Ca 0.00 -0.17 -0.28 0.00 -0.15 0.00 0.00 54.97 54.37 1qo6 s GLU 54 Cb 0.00 0.20 -0.11 0.00 -0.44 0.00 0.00 34.13 33.78 1qo6 s GLU 54 CO 0.00 -0.19 2.45 -2.30 0.95 0.00 0.00 175.26 176.17 1qo6 n PRO 55 N -0.15 0.84 -0.96 -4.83 -0.02 -1.26 -4.90 135.00 123.73 1qo6 n PRO 55 Ca -0.02 0.06 -0.37 0.00 -2.02 0.00 0.00 63.50 61.14 1qo6 n PRO 55 Cb 0.59 -2.86 0.05 0.00 -0.02 0.00 0.00 33.50 31.27 1qo6 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qo6 n VAL 57 N -3.26 2.53 -4.18 0.00 3.14 0.57 -4.87 118.33 112.26 1qo6 n VAL 57 Ca -0.01 -5.27 -0.25 0.00 -2.96 0.00 0.00 64.34 55.84 1qo6 n VAL 57 Cb 0.67 -2.07 -0.07 0.00 -1.06 0.00 0.00 33.84 31.31 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 -2.55 3.03 0.12 6.55 -0.00 -1.26 -4.03 118.68 120.55 1qo6 s LEU 58 Ca 0.40 -1.14 -0.31 0.00 -0.00 0.00 0.00 54.13 53.08 1qo6 s LEU 58 Cb 0.15 -1.35 -0.08 0.00 -0.00 0.00 0.00 46.19 44.91 1qo6 s LEU 58 CO -0.01 -0.59 1.41 -2.84 -0.00 0.00 0.00 176.35 174.31 1qo6 s PRO 59 N -3.92 4.31 0.56 1.48 0.02 -1.26 -5.02 135.00 131.17 1qo6 s PRO 59 Ca 0.38 2.11 0.05 0.00 0.02 0.00 0.00 61.00 63.56 1qo6 s PRO 59 Cb 0.04 -3.23 0.05 0.00 0.02 0.00 0.00 34.50 31.37 1qo6 s PRO 59 CO 0.21 -0.45 0.42 -0.59 -0.33 0.00 0.00 177.00 176.26 1qo6 s PHE 60 N 1.07 1.51 -0.15 6.54 -0.12 -0.90 -4.90 117.98 121.02 1qo6 s PHE 60 Ca 0.65 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1qo6 s PHE 60 Cb -0.38 -1.89 0.02 0.00 -0.63 0.00 0.00 43.02 40.14 1qo6 s PHE 60 CO 0.31 -0.53 -0.17 0.99 -0.05 0.00 0.00 175.22 175.76 1qo6 s THR 61 N -2.80 1.78 -0.03 -4.49 2.01 -1.26 -2.27 115.64 108.59 1qo6 s THR 61 Ca 0.33 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1qo6 s THR 61 Cb -0.02 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1qo6 s THR 61 CO 0.21 0.49 0.05 -0.47 -0.69 0.00 0.00 174.62 174.21 1qo6 s TYR 62 N 1.30 -0.01 0.00 4.92 5.04 -0.80 -4.79 117.35 123.01 1qo6 s TYR 62 Ca 0.03 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1qo6 s TYR 62 Cb -0.13 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.00 1qo6 s TYR 62 CO -0.10 -0.09 0.00 -1.71 -1.34 0.00 0.00 175.55 172.31 1qo6 n ASN 63 N 4.02 -1.49 0.00 4.32 2.85 -1.26 -2.27 115.26 121.43 1qo6 n ASN 63 Ca -0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 1qo6 n ASN 63 Cb 0.52 -1.29 0.00 0.00 1.24 0.00 0.00 39.78 40.25 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 -1.77 0.96 0.00 8.20 0.00 -1.26 -5.08 105.19 106.24 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 -1.26 2.60 -4.03 1.61 1.85 -0.96 -5.09 116.66 111.37 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 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 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 1.17 0.33 0.04 8.89 2.01 -1.26 -1.90 115.64 124.92 1qo6 s THR 66 Ca 0.00 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1qo6 s THR 66 Cb 0.00 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1qo6 s THR 66 CO 0.00 -0.26 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.23 1qo6 s PHE 67 N -0.97 0.65 -0.24 4.92 0.40 -0.96 -4.97 117.98 116.81 1qo6 s PHE 67 Ca -0.08 -0.45 0.14 0.00 -0.60 0.00 0.00 56.93 55.95 1qo6 s PHE 67 Cb -0.07 -0.39 0.80 0.00 0.51 0.00 0.00 43.02 43.87 1qo6 s PHE 67 CO -0.00 -0.07 1.73 0.66 0.70 0.00 0.00 175.22 178.24 1qo6 n TYR 68 N 1.66 2.02 -3.60 0.36 4.01 -1.26 -2.13 117.16 118.22 1qo6 n TYR 68 Ca -0.21 -0.76 0.00 0.00 -0.16 0.00 0.00 57.90 56.77 1qo6 n TYR 68 Cb 0.55 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1qo6 n SER 69 N 0.51 0.00 -4.39 7.72 7.64 -1.26 -4.87 113.62 118.96 1qo6 n SER 69 Ca 0.28 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.83 1qo6 n SER 69 Cb 1.19 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 64.51 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qo6 s THR 71 N -2.37 0.00 -0.78 0.00 -1.32 0.18 -4.74 115.64 106.61 1qo6 s THR 71 Ca 0.56 -0.01 0.02 0.00 -1.21 0.00 0.00 61.69 61.06 1qo6 s THR 71 Cb -0.20 -1.02 0.29 0.00 -1.51 0.00 0.00 72.50 70.06 1qo6 s THR 71 CO 0.68 0.00 1.11 0.35 -2.21 0.00 0.00 174.62 174.55 1qo6 n THR 72 N -0.17 3.74 -0.24 5.08 -2.24 -1.26 -0.97 114.28 118.22 1qo6 n THR 72 Ca -0.04 -5.58 0.03 0.00 -2.27 0.00 0.00 64.05 56.19 1qo6 n THR 72 Cb 0.60 -1.86 0.05 0.00 -2.10 0.00 0.00 70.33 67.02 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 0.58 2.68 0.00 -0.78 -0.58 -1.26 -4.60 120.64 116.68 1qo6 n GLU 73 Ca 0.32 -1.80 0.00 0.00 -0.42 0.00 0.00 57.16 55.25 1qo6 n GLU 73 Cb 0.37 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.54 -0.28 3.20 0.62 0.00 -1.26 -5.02 105.19 101.89 1qo6 n GLY 74 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.43 0.81 -0.04 1.61 1.70 -1.26 -5.04 118.95 116.30 1qo6 s ARG 75 Ca 0.00 -0.94 0.17 0.00 -0.47 0.00 0.00 55.73 54.49 1qo6 s ARG 75 Cb 0.00 0.33 0.54 0.00 -0.57 0.00 0.00 34.95 35.25 1qo6 s ARG 75 CO 0.00 -0.25 1.46 0.00 -1.08 0.00 0.00 175.30 175.43 1qo6 n GLN 76 N 0.03 3.05 -0.05 3.89 10.64 -1.26 -4.58 117.38 129.09 1qo6 n GLN 76 Ca -0.15 -2.53 -0.04 0.00 -1.83 0.00 0.00 57.00 52.44 1qo6 n GLN 76 Cb 0.62 -1.57 -0.01 0.00 -0.86 0.00 0.00 30.24 28.42 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 0.97 1.32 0.00 2.61 -0.08 -1.26 -5.05 116.55 115.06 1qo6 n ASP 77 Ca 0.20 0.46 0.00 0.00 -1.51 0.00 0.00 54.79 53.95 1qo6 n ASP 77 Cb 0.64 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 43.36 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 1.61 0.80 3.43 0.27 0.00 -1.26 -5.13 105.19 104.91 1qo6 n GLY 78 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.99 3.11 0.12 1.61 3.76 -1.26 -5.01 115.29 116.62 1qo6 s HIS 79 Ca 0.00 -0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 54.09 1qo6 s HIS 79 Cb 0.00 -2.26 -0.10 0.00 1.11 0.00 0.00 32.58 31.33 1qo6 s HIS 79 CO 0.00 -0.40 1.74 -0.51 -0.85 0.00 0.00 174.74 174.72 1qo6 s LEU 80 N 1.60 4.38 0.07 0.89 1.02 -1.26 -4.49 118.68 120.90 1qo6 s LEU 80 Ca 0.06 2.68 0.04 0.00 0.02 0.00 0.00 54.13 56.93 1qo6 s LEU 80 Cb -0.16 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.45 1qo6 s LEU 80 CO 0.04 -0.95 -0.12 -1.66 0.02 0.00 0.00 176.35 173.69 1qo6 s TRP 81 N 2.31 1.05 0.24 0.29 1.48 -0.14 0.68 118.94 124.84 1qo6 s TRP 81 Ca 0.77 -0.52 0.01 0.00 -1.06 0.00 0.00 56.10 55.30 1qo6 s TRP 81 Cb -0.45 -0.59 -0.04 0.00 -1.16 0.00 0.00 33.47 31.24 1qo6 s TRP 81 CO 0.34 0.01 0.16 0.00 -4.06 0.00 0.00 176.95 173.41 1qo6 s SER 83 N -3.23 5.10 -0.01 0.00 0.15 -1.26 0.12 113.70 114.57 1qo6 s SER 83 Ca 0.39 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.91 1qo6 s SER 83 Cb 0.06 -1.22 -0.12 0.00 -1.71 0.00 0.00 66.02 63.03 1qo6 s SER 83 CO 0.16 0.13 0.25 0.35 1.20 0.00 0.00 173.24 175.32 1qo6 n THR 84 N 0.15 0.00 -5.23 6.45 -2.24 0.12 0.21 114.28 113.75 1qo6 n THR 84 Ca -0.10 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 1qo6 n THR 84 Cb 0.53 0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.33 2.17 0.26 4.28 2.01 -1.24 -4.39 115.64 116.40 1qo6 s THR 85 Ca -0.01 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 1qo6 s THR 85 Cb 0.06 -1.78 0.27 0.00 0.01 0.00 0.00 72.50 71.06 1qo6 s THR 85 CO 0.36 0.57 1.66 0.77 -0.69 0.00 0.00 174.62 177.29 1qo6 h SER 86 N 5.85 -0.03 -2.94 3.53 4.64 -1.94 -2.57 113.55 120.09 1qo6 h SER 86 Ca -0.36 0.17 -0.80 0.00 -0.47 0.00 0.00 61.79 60.33 1qo6 h SER 86 Cb 1.16 0.24 -0.29 0.00 -0.31 0.00 0.00 62.40 63.20 1qo6 h SER 86 CO 0.48 -0.10 0.70 -3.20 -0.87 0.00 0.00 176.83 173.84 1qo6 n ASN 87 N -5.20 6.25 0.21 4.97 5.15 -1.26 -4.76 115.26 120.62 1qo6 n ASN 87 Ca 0.17 -3.39 0.09 0.00 -0.60 0.00 0.00 54.58 50.85 1qo6 n ASN 87 Cb 0.55 -1.25 0.43 0.00 -0.53 0.00 0.00 39.78 38.97 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 5.47 0.00 0.00 1.20 5.03 -1.79 0.85 116.97 127.74 1qo6 h TYR 88 Ca 0.20 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.50 1qo6 h TYR 88 Cb 0.63 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 1qo6 h TYR 88 CO 0.98 0.25 -0.02 0.93 -1.32 0.00 0.00 178.16 178.98 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.89 0.70 114.58 120.29 1qo6 h GLU 89 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1qo6 h GLU 89 Cb 0.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1qo6 h GLU 89 CO 0.03 0.02 -1.50 0.94 -1.00 0.00 0.00 179.01 177.50 1qo6 n GLN 90 N -3.53 0.21 0.01 2.33 -0.06 -1.06 -4.70 117.38 110.59 1qo6 n GLN 90 Ca -0.03 0.06 -0.15 0.00 -2.00 0.00 0.00 57.00 54.88 1qo6 n GLN 90 Cb 0.11 -1.09 -0.05 0.00 -4.06 0.00 0.00 30.24 25.16 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 -0.08 0.79 0.00 1.69 3.58 -0.83 -3.47 116.42 118.10 1qo6 h ASP 91 Ca -0.21 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.70 1qo6 h ASP 91 Cb 1.28 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1qo6 h ASP 91 CO -0.06 1.33 0.00 1.67 -2.88 0.00 0.00 179.24 179.30 1qo6 n GLN 92 N -3.88 -0.66 -2.08 0.28 -0.06 0.24 -4.93 117.38 106.29 1qo6 n GLN 92 Ca -0.07 0.16 -0.35 0.00 -2.00 0.00 0.00 57.00 54.74 1qo6 n GLN 92 Cb 0.76 -3.67 -0.04 0.00 -4.06 0.00 0.00 30.24 23.24 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 -0.67 2.65 0.18 3.69 3.01 -1.26 -4.94 119.74 122.40 1qo6 s LYS 93 Ca 0.00 0.28 0.06 0.00 -1.01 0.00 0.00 55.97 55.31 1qo6 s LYS 93 Cb 0.00 -4.58 -0.05 0.00 -1.01 0.00 0.00 37.83 32.19 1qo6 s LYS 93 CO 0.00 -2.87 -0.12 1.52 0.51 0.00 0.00 175.35 174.39 1qo6 s TYR 94 N 9.11 1.52 0.01 3.18 -0.85 -1.26 -0.70 117.35 128.37 1qo6 s TYR 94 Ca 0.66 -0.67 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 1qo6 s TYR 94 Cb -0.10 -0.74 -0.00 0.00 0.38 0.00 0.00 41.96 41.49 1qo6 s TYR 94 CO 0.14 0.23 0.00 -1.13 -1.52 0.00 0.00 175.55 173.27 1qo6 n SER 95 N -0.31 0.95 -2.40 -0.18 3.41 0.33 -2.59 113.62 112.84 1qo6 n SER 95 Ca -0.09 -1.05 -0.08 0.00 -0.26 0.00 0.00 58.87 57.39 1qo6 n SER 95 Cb 0.61 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qo6 n PHE 96 N -0.02 0.16 -3.67 7.33 3.72 -1.26 -1.58 117.46 122.14 1qo6 n PHE 96 Ca -0.00 -0.71 -0.11 0.00 -0.05 0.00 0.00 57.45 56.57 1qo6 n PHE 96 Cb 0.02 -0.04 -0.09 0.00 -0.94 0.00 0.00 39.48 38.43 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 h THR 98 N 4.70 0.03 0.00 0.00 1.03 -1.85 -3.35 112.91 113.47 1qo6 h THR 98 Ca -0.30 -1.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.05 1qo6 h THR 98 Cb 1.19 1.79 0.00 0.00 -1.07 0.00 0.00 68.15 70.05 1qo6 h THR 98 CO 0.18 0.02 0.00 0.47 -0.01 0.00 0.00 175.52 176.17 1qo6 n ASP 99 N -2.91 0.00 -0.13 0.00 8.00 -1.26 -4.24 116.55 116.01 1qo6 n ASP 99 Ca 0.02 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.48 1qo6 n ASP 99 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1qo6 n HIS 100 N 0.00 -0.14 1.49 1.24 8.25 -1.26 -4.95 115.22 119.85 1qo6 n HIS 100 Ca 0.00 0.39 0.14 0.00 -0.26 0.00 0.00 57.72 57.99 1qo6 n HIS 100 Cb 0.00 -0.48 0.52 0.00 1.12 0.00 0.00 29.99 31.15 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23