#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 2.00 3.26 2.72 0.00 -1.26 -5.05 105.19 106.86 1qo6 n GLY 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.53 0.37 1.61 3.76 -1.26 -1.01 115.29 119.29 1qo6 s HIS 3 Ca 0.00 -0.86 0.08 0.00 -0.15 0.00 0.00 55.06 54.13 1qo6 s HIS 3 Cb 0.00 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 1qo6 s HIS 3 CO 0.00 -0.30 0.21 0.00 -0.85 0.00 0.00 174.74 173.79 1qo6 n VAL 5 N -1.26 0.00 0.00 0.00 0.24 -1.26 0.26 118.33 116.31 1qo6 n VAL 5 Ca -0.01 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1qo6 n VAL 5 Cb 0.62 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 1qo6 n VAL 5 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1qo6 n THR 6 N -0.11 0.00 0.40 3.34 5.66 -1.26 -4.87 114.28 117.45 1qo6 n THR 6 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 1qo6 n THR 6 Cb 0.11 0.00 0.27 0.00 -1.55 0.00 0.00 70.33 69.15 1qo6 n THR 6 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1qo6 n ASP 7 N -0.87 3.01 0.00 1.09 9.92 -1.26 -4.90 116.55 123.53 1qo6 n ASP 7 Ca 0.00 -1.94 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 1qo6 n ASP 7 Cb 0.00 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1qo6 n SER 8 N 1.17 -2.34 0.00 -2.24 3.41 -1.26 -4.91 113.62 107.45 1qo6 n SER 8 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1qo6 n SER 8 Cb 0.51 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.62 0.00 3.11 5.00 0.00 -1.26 -4.97 105.19 104.45 1qo6 n GLY 9 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.70 3.16 -1.16 1.61 1.01 -1.26 -5.03 120.40 117.02 1qo6 s VAL 10 Ca 0.00 -2.12 -0.21 0.00 0.00 0.00 0.00 61.98 59.65 1qo6 s VAL 10 Cb 0.00 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1qo6 s VAL 10 CO 0.00 -0.68 1.71 -0.69 0.00 0.00 0.00 175.10 175.43 1qo6 s VAL 11 N 1.08 3.90 1.23 2.92 1.01 -1.26 -4.06 120.40 125.22 1qo6 s VAL 11 Ca 0.09 -1.27 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 1qo6 s VAL 11 Cb -0.22 -4.94 0.29 0.00 0.00 0.00 0.00 36.38 31.51 1qo6 s VAL 11 CO -0.05 -1.73 1.06 -0.31 0.00 0.00 0.00 175.10 174.08 1qo6 s TYR 12 N 6.14 0.47 -0.05 5.22 2.02 0.73 -4.71 117.35 127.17 1qo6 s TYR 12 Ca 0.56 0.60 0.03 0.00 -0.37 0.00 0.00 57.07 57.88 1qo6 s TYR 12 Cb 0.01 -3.30 0.01 0.00 -0.40 0.00 0.00 41.96 38.28 1qo6 s TYR 12 CO 0.03 -4.02 -0.11 -1.12 -1.57 0.00 0.00 175.55 168.75 1qo6 s SER 13 N -3.61 1.60 -0.38 2.29 0.01 -1.26 0.15 113.70 112.49 1qo6 s SER 13 Ca 0.70 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.66 1qo6 s SER 13 Cb -0.12 -0.62 -0.13 0.00 0.21 0.00 0.00 66.02 65.36 1qo6 s SER 13 CO 0.57 0.05 0.93 0.55 0.41 0.00 0.00 173.24 175.75 1qo6 n VAL 14 N 3.59 0.00 0.00 3.43 3.14 -0.18 -0.21 118.33 128.11 1qo6 n VAL 14 Ca -0.21 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1qo6 n VAL 14 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 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 2.57 1.04 3.58 7.55 0.00 0.59 -4.97 105.19 115.56 1qo6 n GLY 15 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qo6 s MET 16 N 0.00 3.88 -0.15 1.61 0.00 0.71 -4.96 119.30 120.39 1qo6 s MET 16 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 55.69 55.20 1qo6 s MET 16 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 34.83 31.10 1qo6 s MET 16 CO 0.00 -0.23 0.29 -0.65 0.00 0.00 0.00 175.02 174.44 1qo6 s GLN 17 N 1.77 4.20 0.00 4.11 -0.21 -1.26 -3.32 119.66 124.95 1qo6 s GLN 17 Ca 0.07 0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1qo6 s GLN 17 Cb -0.16 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.44 1qo6 s GLN 17 CO 0.11 0.29 0.00 -2.67 -2.12 0.00 0.00 175.29 170.89 1qo6 n TRP 18 N 3.41 -0.20 -4.20 0.91 2.14 -0.73 -5.04 117.44 113.72 1qo6 n TRP 18 Ca -0.12 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.25 1qo6 n TRP 18 Cb 0.52 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.86 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 1.49 0.47 5.67 2.96 -1.26 -1.97 118.68 126.03 1qo6 s LEU 19 Ca 0.00 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1qo6 s LEU 19 Cb 0.00 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 1qo6 s LEU 19 CO 0.00 -0.02 0.15 -1.59 -1.32 0.00 0.00 176.35 173.57 1qo6 s LYS 20 N 0.66 2.19 0.09 1.98 -2.85 0.36 -4.88 119.74 117.29 1qo6 s LYS 20 Ca -0.09 -2.07 0.03 0.00 -1.00 0.00 0.00 55.97 52.84 1qo6 s LYS 20 Cb -0.12 -1.83 -0.03 0.00 -2.06 0.00 0.00 37.83 33.78 1qo6 s LYS 20 CO 0.00 -0.28 -0.10 0.95 0.10 0.00 0.00 175.35 176.03 1qo6 s THR 21 N -2.73 0.88 -0.30 3.79 -4.23 -1.26 -1.12 115.64 110.68 1qo6 s THR 21 Ca 0.29 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1qo6 s THR 21 Cb 0.03 -1.28 0.53 0.00 1.34 0.00 0.00 72.50 73.12 1qo6 s THR 21 CO 0.16 -0.55 1.51 0.00 -0.54 0.00 0.00 174.62 175.21 1qo6 n GLN 22 N 0.66 2.04 -0.91 3.99 6.02 -0.99 -4.89 117.38 123.30 1qo6 n GLN 22 Ca -0.17 -3.13 0.00 0.00 -0.01 0.00 0.00 57.00 53.70 1qo6 n GLN 22 Cb 0.57 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.04 0.60 0.17 1.08 0.00 -1.26 -4.50 105.19 100.25 1qo6 n GLY 23 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1qo6 n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qo6 n ASN 24 N 0.00 0.00 -4.98 1.61 0.23 -1.26 -5.15 115.26 105.71 1qo6 n ASN 24 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.85 1qo6 n ASN 24 Cb 0.00 0.04 0.03 0.00 -2.08 0.00 0.00 39.78 37.77 1qo6 n ASN 24 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1qo6 s LYS 25 N -1.39 2.60 -0.11 -3.83 1.02 -1.26 -5.11 119.74 111.67 1qo6 s LYS 25 Ca 0.00 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.14 1qo6 s LYS 25 Cb 0.00 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1qo6 s LYS 25 CO 0.00 -0.62 -0.21 -0.65 -0.92 0.00 0.00 175.35 172.96 1qo6 s GLN 26 N -4.67 2.73 0.02 1.68 -0.21 -1.26 -2.35 119.66 115.60 1qo6 s GLN 26 Ca 0.57 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 55.19 1qo6 s GLN 26 Cb -0.10 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.75 1qo6 s GLN 26 CO 0.37 0.08 -0.04 1.41 -2.12 0.00 0.00 175.29 174.99 1qo6 s MET 27 N 0.60 0.34 -0.15 2.91 1.75 -0.27 -3.67 119.30 120.81 1qo6 s MET 27 Ca -0.14 -0.57 -0.11 0.00 -1.25 0.00 0.00 55.69 53.62 1qo6 s MET 27 Cb -0.17 -0.02 -0.05 0.00 2.84 0.00 0.00 34.83 37.44 1qo6 s MET 27 CO 0.04 -0.02 0.22 -1.17 -0.65 0.00 0.00 175.02 173.45 1qo6 s LEU 28 N -1.30 4.29 -0.01 4.11 2.96 -0.62 0.13 118.68 128.25 1qo6 s LEU 28 Ca -0.12 0.47 0.06 0.00 -0.22 0.00 0.00 54.13 54.32 1qo6 s LEU 28 Cb -0.09 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1qo6 s LEU 28 CO -0.01 0.22 -0.21 0.00 -1.32 0.00 0.00 176.35 175.04 1qo6 s THR 30 N -0.53 0.75 -0.41 0.00 2.01 0.44 -1.78 115.64 116.12 1qo6 s THR 30 Ca 0.08 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1qo6 s THR 30 Cb -0.08 -0.71 0.08 0.00 0.01 0.00 0.00 72.50 71.80 1qo6 s THR 30 CO -0.00 -0.11 0.24 0.00 -0.69 0.00 0.00 174.62 174.05 1qo6 n LEU 32 N 4.86 0.00 0.00 0.00 -0.00 -1.23 -0.30 117.00 120.33 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 0.37 0.00 -0.09 0.61 -0.00 0.00 0.00 177.39 178.28 1qo6 n GLY 33 N 3.85 0.00 0.20 1.47 0.00 -1.26 -4.04 105.19 105.41 1qo6 n GLY 33 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.80 0.00 1.61 -1.07 -2.01 -3.49 115.58 111.42 1qo6 h ASN 34 Ca 0.00 -0.59 0.00 0.00 0.07 0.00 0.00 56.30 55.78 1qo6 h ASN 34 Cb 0.19 -0.23 0.00 0.00 -2.07 0.00 0.00 38.32 36.21 1qo6 h ASN 34 CO 0.00 1.25 0.00 0.61 0.07 0.00 0.00 177.43 179.36 1qo6 n GLY 35 N 0.56 1.01 3.34 9.14 0.00 -1.26 -5.15 105.19 112.83 1qo6 n GLY 35 Ca -0.07 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.31 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 2.16 -0.80 0.35 1.61 1.01 -1.26 -3.47 120.40 119.99 1qo6 s VAL 36 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1qo6 s VAL 36 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1qo6 s VAL 36 CO 0.00 0.02 0.26 -0.55 0.00 0.00 0.00 175.10 174.82 1qo6 s SER 37 N 2.73 5.06 -0.26 3.32 0.15 0.94 -4.91 113.70 120.74 1qo6 s SER 37 Ca 0.01 -0.62 -0.21 0.00 0.70 0.00 0.00 55.95 55.83 1qo6 s SER 37 Cb -0.13 -0.84 0.07 0.00 -1.71 0.00 0.00 66.02 63.41 1qo6 s SER 37 CO -0.16 -0.38 0.67 0.00 1.20 0.00 0.00 173.24 174.57 1qo6 s GLN 39 N 0.74 1.12 -0.24 0.00 -2.07 0.89 -4.93 119.66 115.18 1qo6 s GLN 39 Ca -0.03 -1.09 -0.03 0.00 -1.82 0.00 0.00 55.36 52.39 1qo6 s GLN 39 Cb -0.05 -1.33 -0.08 0.00 -1.09 0.00 0.00 33.01 30.47 1qo6 s GLN 39 CO -0.05 0.31 1.28 -0.85 -1.32 0.00 0.00 175.29 174.66 1qo6 n GLU 40 N 1.25 0.01 0.00 9.60 0.28 -1.26 -1.59 120.64 128.93 1qo6 n GLU 40 Ca -0.19 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 1qo6 n GLU 40 Cb 0.54 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 32.27 1qo6 n GLU 40 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1qo6 n THR 41 N 4.91 0.00 0.00 3.84 -2.24 -1.24 -3.10 114.28 116.45 1qo6 n THR 41 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1qo6 n THR 41 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1qo6 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n ALA 42 N 0.00 0.00 -0.13 6.98 0.00 -1.22 -3.98 120.51 122.16 1qo6 n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qo6 n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 3.14 -1.18 -5.02 118.33 115.27 1qo6 n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1qo6 n VAL 43 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1qo6 n VAL 43 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1qo6 n THR 44 N -0.18 0.00 -2.73 1.55 5.66 -1.26 -4.96 114.28 112.36 1qo6 n THR 44 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1qo6 n THR 44 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 3.56 0.04 1.09 -1.52 -1.26 -5.06 119.66 114.51 1qo6 s GLN 45 Ca 0.00 0.17 -0.07 0.00 -1.95 0.00 0.00 55.36 53.51 1qo6 s GLN 45 Cb 0.00 -2.41 -0.01 0.00 -0.22 0.00 0.00 33.01 30.38 1qo6 s GLN 45 CO 0.00 -0.16 0.14 0.95 -0.25 0.00 0.00 175.29 175.97 1qo6 s THR 46 N -2.67 0.13 -0.10 -0.19 -4.23 -1.25 -3.97 115.64 103.35 1qo6 s THR 46 Ca 0.47 -1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 59.63 1qo6 s THR 46 Cb -0.10 -0.96 0.11 0.00 1.34 0.00 0.00 72.50 72.90 1qo6 s THR 46 CO 0.43 -0.58 0.94 -0.72 -0.54 0.00 0.00 174.62 174.15 1qo6 s TYR 47 N -2.74 -0.37 0.00 3.99 -0.85 -1.25 -4.76 117.35 111.37 1qo6 s TYR 47 Ca -0.04 0.51 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 1qo6 s TYR 47 Cb -0.00 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.82 1qo6 s TYR 47 CO -0.05 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 173.96 1qo6 n GLY 48 N 0.38 2.26 7.00 5.49 0.00 -1.25 -3.47 105.19 115.61 1qo6 n GLY 48 Ca -0.10 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.69 0.14 -0.02 0.00 -1.26 0.10 105.19 105.84 1qo6 n GLY 49 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 6.28 0.99 0.00 1.61 4.05 0.10 -4.56 115.26 123.73 1qo6 n ASN 50 Ca 0.00 -0.99 0.00 0.00 0.45 0.00 0.00 54.58 54.04 1qo6 n ASN 50 Cb 0.00 0.38 0.00 0.00 1.23 0.00 0.00 39.78 41.39 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1qo6 n SER 51 N -0.24 1.15 -1.41 1.20 2.88 -0.96 -4.66 113.62 111.58 1qo6 n SER 51 Ca 0.02 -1.40 -0.17 0.00 -1.33 0.00 0.00 58.87 56.00 1qo6 n SER 51 Cb 0.11 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.20 -5.07 -0.08 -3.46 5.15 0.12 -3.91 115.26 107.80 1qo6 n ASN 52 Ca 0.00 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 1qo6 n ASN 52 Cb 0.19 -4.10 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qo6 n GLY 53 N -0.88 0.77 3.62 8.20 0.00 -0.70 -3.93 105.19 112.27 1qo6 n GLY 53 Ca -0.18 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.05 1.97 0.38 1.61 2.02 -1.25 -4.83 118.70 116.55 1qo6 s GLU 54 Ca 0.00 -1.96 -0.28 0.00 0.02 0.00 0.00 54.97 52.75 1qo6 s GLU 54 Cb 0.00 -1.75 -0.10 0.00 0.10 0.00 0.00 34.13 32.37 1qo6 s GLU 54 CO 0.00 0.03 1.43 -2.14 0.02 0.00 0.00 175.26 174.60 1qo6 s PRO 55 N -3.71 4.09 0.96 0.39 0.02 -1.26 -4.88 135.00 130.60 1qo6 s PRO 55 Ca 0.35 2.45 -0.15 0.00 0.02 0.00 0.00 61.00 63.67 1qo6 s PRO 55 Cb 0.05 -2.93 0.21 0.00 0.02 0.00 0.00 34.50 31.85 1qo6 s PRO 55 CO 0.18 -0.50 1.31 0.00 -0.33 0.00 0.00 177.00 177.66 1qo6 n VAL 57 N -3.73 -0.24 -3.81 0.00 3.14 0.74 -4.80 118.33 109.63 1qo6 n VAL 57 Ca 0.16 -4.32 -0.21 0.00 -2.96 0.00 0.00 64.34 57.01 1qo6 n VAL 57 Cb 0.59 -0.40 -0.03 0.00 -1.06 0.00 0.00 33.84 32.94 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 -2.23 3.65 0.30 6.55 -0.00 -1.26 -4.07 118.68 121.62 1qo6 s LEU 58 Ca 0.38 -0.45 -0.29 0.00 -0.00 0.00 0.00 54.13 53.77 1qo6 s LEU 58 Cb 0.32 -2.27 -0.10 0.00 -0.00 0.00 0.00 46.19 44.14 1qo6 s LEU 58 CO -0.08 -0.33 1.27 -2.84 -0.00 0.00 0.00 176.35 174.36 1qo6 s PRO 59 N -4.00 4.41 0.40 1.48 0.02 -1.26 -5.02 135.00 131.03 1qo6 s PRO 59 Ca 0.41 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.56 1qo6 s PRO 59 Cb -0.06 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.36 1qo6 s PRO 59 CO 0.27 -0.13 0.11 1.97 -0.33 0.00 0.00 177.00 178.88 1qo6 n PHE 60 N 1.17 0.30 -4.47 6.54 1.16 -0.88 -4.90 117.46 116.39 1qo6 n PHE 60 Ca 0.01 -1.85 -0.27 0.00 -1.87 0.00 0.00 57.45 53.47 1qo6 n PHE 60 Cb 0.42 -0.28 -0.17 0.00 -1.61 0.00 0.00 39.48 37.84 1qo6 n PHE 60 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1qo6 s THR 61 N -2.27 1.34 -0.11 1.97 2.01 -1.26 -2.22 115.64 115.09 1qo6 s THR 61 Ca 0.08 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 1qo6 s THR 61 Cb -0.01 -1.23 0.05 0.00 0.01 0.00 0.00 72.50 71.32 1qo6 s THR 61 CO 0.05 0.41 0.26 -0.47 -0.69 0.00 0.00 174.62 174.18 1qo6 s TYR 62 N 0.93 -0.35 0.00 4.92 5.04 -0.89 -4.83 117.35 122.17 1qo6 s TYR 62 Ca -0.09 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 1qo6 s TYR 62 Cb -0.15 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.23 1qo6 s TYR 62 CO 0.00 -0.23 0.00 -1.71 -1.34 0.00 0.00 175.55 172.27 1qo6 n ASN 63 N 4.12 -2.39 0.00 4.32 2.85 -1.26 -2.04 115.26 120.87 1qo6 n ASN 63 Ca -0.24 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 1qo6 n ASN 63 Cb 0.54 -1.67 0.00 0.00 1.24 0.00 0.00 39.78 39.88 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 -1.45 0.57 0.00 8.20 0.00 -1.26 -5.08 105.19 106.17 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 -1.35 3.43 -3.85 1.61 1.85 -0.86 -5.11 116.66 112.39 1qo6 n ARG 65 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qo6 s THR 66 N 1.39 0.05 -0.03 8.89 2.01 -1.26 -2.09 115.64 124.60 1qo6 s THR 66 Ca 0.00 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.61 1qo6 s THR 66 Cb 0.00 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.17 1qo6 s THR 66 CO 0.00 -0.23 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.27 1qo6 s PHE 67 N -0.79 0.85 -1.18 4.92 0.40 -0.94 -4.94 117.98 116.30 1qo6 s PHE 67 Ca -0.09 -0.23 0.29 0.00 -0.60 0.00 0.00 56.93 56.31 1qo6 s PHE 67 Cb -0.05 -0.66 1.32 0.00 0.51 0.00 0.00 43.02 44.14 1qo6 s PHE 67 CO 0.01 -0.13 1.96 0.66 0.70 0.00 0.00 175.22 178.41 1qo6 n TYR 68 N 3.57 0.00 -2.35 0.36 4.01 -1.26 -2.06 117.16 119.42 1qo6 n TYR 68 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1qo6 n TYR 68 Cb 0.53 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qo6 n SER 69 N -1.40 0.00 -4.12 7.72 2.88 -1.26 -4.65 113.62 112.79 1qo6 n SER 69 Ca 0.10 -0.28 -0.29 0.00 -1.33 0.00 0.00 58.87 57.06 1qo6 n SER 69 Cb 0.30 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.96 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qo6 s THR 71 N -2.22 0.00 -0.90 0.00 -1.32 -0.21 -4.82 115.64 106.17 1qo6 s THR 71 Ca 0.56 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 1qo6 s THR 71 Cb -0.13 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.17 1qo6 s THR 71 CO 0.61 0.00 1.45 0.35 -2.21 0.00 0.00 174.62 174.81 1qo6 n THR 72 N 1.33 4.90 -0.50 5.08 -2.24 -1.26 -2.32 114.28 119.28 1qo6 n THR 72 Ca -0.08 -5.81 0.05 0.00 -2.27 0.00 0.00 64.05 55.94 1qo6 n THR 72 Cb 0.57 -1.70 0.11 0.00 -2.10 0.00 0.00 70.33 67.22 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 0.31 2.48 0.00 -0.78 -0.58 -1.26 -4.83 120.64 115.97 1qo6 n GLU 73 Ca 0.37 -2.13 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1qo6 n GLU 73 Cb 0.32 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 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 -0.57 -2.00 0.00 0.62 0.00 -1.26 -5.04 105.19 96.93 1qo6 n GLY 74 Ca 0.10 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.09 1qo6 n GLY 74 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qo6 n ARG 75 N 0.00 0.10 -0.02 1.61 0.00 -1.26 -5.05 116.66 112.03 1qo6 n ARG 75 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1qo6 n ARG 75 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.45 1qo6 n ARG 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1qo6 n GLN 76 N 0.00 0.13 0.05 2.89 6.02 -1.26 -4.81 117.38 120.40 1qo6 n GLN 76 Ca 0.00 0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.83 1qo6 n GLN 76 Cb 0.00 -0.71 -0.14 0.00 1.02 0.00 0.00 30.24 30.40 1qo6 n GLN 76 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1qo6 h ASP 77 N -0.25 0.50 0.00 1.08 1.82 -2.04 -3.48 116.42 114.04 1qo6 h ASP 77 Ca 0.00 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.74 1qo6 h ASP 77 Cb 0.25 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1qo6 h ASP 77 CO 0.00 1.58 0.00 0.61 -1.61 0.00 0.00 179.24 179.82 1qo6 n GLY 78 N 1.73 1.06 3.66 -0.78 0.00 -1.26 -5.13 105.19 104.46 1qo6 n GLY 78 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.06 3.37 -0.35 1.61 0.09 -1.26 -4.91 115.29 112.78 1qo6 s HIS 79 Ca 0.00 0.87 -0.44 0.00 -0.00 0.00 0.00 55.06 55.49 1qo6 s HIS 79 Cb 0.00 -2.76 -0.19 0.00 -0.00 0.00 0.00 32.58 29.63 1qo6 s HIS 79 CO 0.00 -0.16 1.41 1.28 -0.00 0.00 0.00 174.74 177.27 1qo6 n LEU 80 N 5.01 0.83 -4.23 0.89 4.32 -1.26 -4.74 117.00 117.82 1qo6 n LEU 80 Ca -0.02 1.15 -0.27 0.00 -0.02 0.00 0.00 56.01 56.85 1qo6 n LEU 80 Cb 0.50 -0.87 -0.15 0.00 -1.62 0.00 0.00 43.42 41.28 1qo6 n LEU 80 CO 0.43 -1.12 -0.53 -1.66 -1.22 0.00 0.00 177.39 173.30 1qo6 s TRP 81 N 2.07 1.84 0.40 -1.77 1.48 -0.98 0.47 118.94 122.45 1qo6 s TRP 81 Ca 0.98 -0.36 0.05 0.00 -1.06 0.00 0.00 56.10 55.72 1qo6 s TRP 81 Cb -1.40 -1.16 -0.06 0.00 -1.16 0.00 0.00 33.47 29.69 1qo6 s TRP 81 CO 0.73 0.00 0.03 0.00 -4.06 0.00 0.00 176.95 173.65 1qo6 s SER 83 N -3.66 6.41 0.01 0.00 0.15 -1.26 -0.21 113.70 115.14 1qo6 s SER 83 Ca 0.31 0.48 0.17 0.00 0.70 0.00 0.00 55.95 57.61 1qo6 s SER 83 Cb 0.08 -2.07 -0.17 0.00 -1.71 0.00 0.00 66.02 62.14 1qo6 s SER 83 CO 0.15 0.39 0.69 0.35 1.20 0.00 0.00 173.24 176.03 1qo6 n THR 84 N 1.88 1.19 -4.40 6.45 -2.24 -0.97 0.26 114.28 116.46 1qo6 n THR 84 Ca -0.19 -0.71 -0.20 0.00 -2.27 0.00 0.00 64.05 60.67 1qo6 n THR 84 Cb 0.55 -0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 1qo6 n THR 84 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qo6 s THR 85 N -2.87 1.62 0.16 4.28 -1.32 -1.26 -4.31 115.64 111.94 1qo6 s THR 85 Ca -0.04 -2.14 -0.15 0.00 -1.21 0.00 0.00 61.69 58.15 1qo6 s THR 85 Cb 0.09 -2.36 0.04 0.00 -1.51 0.00 0.00 72.50 68.76 1qo6 s THR 85 CO 0.82 -0.36 1.75 -1.28 -2.21 0.00 0.00 174.62 173.34 1qo6 h SER 86 N 2.35 0.17 -3.51 8.08 0.87 -1.93 -3.32 113.55 116.27 1qo6 h SER 86 Ca -0.39 0.04 -0.77 0.00 -1.23 0.00 0.00 61.79 59.44 1qo6 h SER 86 Cb 1.23 0.02 -0.24 0.00 -0.44 0.00 0.00 62.40 62.97 1qo6 h SER 86 CO 0.66 0.13 0.25 0.21 -0.53 0.00 0.00 176.83 177.55 1qo6 s ASN 87 N -5.38 6.73 0.24 6.23 3.04 -1.26 -4.80 114.94 119.74 1qo6 s ASN 87 Ca -0.13 -2.54 0.13 0.00 0.04 0.00 0.00 52.86 50.36 1qo6 s ASN 87 Cb 0.13 -2.25 0.02 0.00 -1.54 0.00 0.00 41.25 37.60 1qo6 s ASN 87 CO 0.72 -0.68 1.41 0.22 -3.04 0.00 0.00 177.10 175.73 1qo6 h TYR 88 N 8.02 0.00 -0.06 0.43 3.20 -1.92 -2.59 116.97 124.05 1qo6 h TYR 88 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1qo6 h TYR 88 Cb 1.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1qo6 h TYR 88 CO 1.06 0.62 0.00 0.39 -1.64 0.00 0.00 178.16 178.59 1qo6 n GLU 89 N -3.27 1.17 0.01 1.82 -0.58 -1.26 -2.20 120.64 116.34 1qo6 n GLU 89 Ca 0.01 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 1qo6 n GLU 89 Cb 0.78 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1qo6 n GLN 90 N -0.36 0.00 -0.04 3.49 -0.06 -1.18 -4.86 117.38 114.37 1qo6 n GLN 90 Ca 0.06 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.93 1qo6 n GLN 90 Cb 0.08 -0.46 -0.12 0.00 -4.06 0.00 0.00 30.24 25.69 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1qo6 h ASP 91 N 0.00 0.03 -0.74 1.69 5.19 -1.59 -3.48 116.42 117.52 1qo6 h ASP 91 Ca 0.00 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.61 1qo6 h ASP 91 Cb 0.73 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1qo6 h ASP 91 CO 0.00 0.83 0.00 1.67 -3.12 0.00 0.00 179.24 178.62 1qo6 n GLN 92 N -4.67 0.00 -3.96 3.56 -0.06 -0.93 -5.04 117.38 106.27 1qo6 n GLN 92 Ca -0.09 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.60 1qo6 n GLN 92 Cb 0.41 -2.53 -0.15 0.00 -4.06 0.00 0.00 30.24 23.91 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 -4.50 1.55 0.50 3.69 0.00 -1.26 -4.98 119.74 114.74 1qo6 s LYS 93 Ca 0.00 -2.04 0.06 0.00 0.00 0.00 0.00 55.97 53.99 1qo6 s LYS 93 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 37.83 34.74 1qo6 s LYS 93 CO 0.00 -1.00 0.32 1.52 0.00 0.00 0.00 175.35 176.19 1qo6 s TYR 94 N 0.58 2.01 0.41 1.78 -0.85 -1.26 -2.28 117.35 117.74 1qo6 s TYR 94 Ca 0.13 -0.75 0.05 0.00 -0.52 0.00 0.00 57.07 55.98 1qo6 s TYR 94 Cb -0.21 -1.94 -0.02 0.00 0.38 0.00 0.00 41.96 40.17 1qo6 s TYR 94 CO -0.07 -0.23 0.17 -1.54 -1.52 0.00 0.00 175.55 172.37 1qo6 s SER 95 N -4.15 2.71 0.50 -0.18 1.04 0.71 0.02 113.70 114.36 1qo6 s SER 95 Ca 0.35 -1.75 0.04 0.00 0.48 0.00 0.00 55.95 55.07 1qo6 s SER 95 Cb -0.01 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1qo6 s SER 95 CO 0.21 -1.01 0.16 -0.36 0.98 0.00 0.00 173.24 173.21 1qo6 s PHE 96 N -3.21 1.93 -0.46 5.02 0.08 -1.23 -0.61 117.98 119.50 1qo6 s PHE 96 Ca 0.25 -0.85 0.07 0.00 0.12 0.00 0.00 56.93 56.52 1qo6 s PHE 96 Cb 0.01 -1.77 0.18 0.00 -0.57 0.00 0.00 43.02 40.88 1qo6 s PHE 96 CO 0.17 0.01 0.66 0.00 -0.10 0.00 0.00 175.22 175.97 1qo6 h THR 98 N 4.99 0.09 0.00 0.00 1.03 -1.83 -3.38 112.91 113.81 1qo6 h THR 98 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.44 1qo6 h THR 98 Cb 1.14 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 1qo6 h THR 98 CO 0.07 0.01 0.00 -0.67 -0.01 0.00 0.00 175.52 174.92 1qo6 n ASP 99 N -4.64 0.00 -1.13 0.00 2.03 -1.26 -4.89 116.55 106.65 1qo6 n ASP 99 Ca 0.38 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.83 1qo6 n ASP 99 Cb 1.50 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.86 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 -2.64 -0.56 -0.67 -0.00 -1.26 -5.02 115.22 105.07 1qo6 n HIS 100 Ca 0.00 1.36 0.00 0.00 0.46 0.00 0.00 57.72 59.54 1qo6 n HIS 100 Cb 0.00 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.47 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43