#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 -0.30 3.47 2.72 0.00 -1.26 -4.94 105.19 104.87 1qo6 n GLY 2 Ca 0.00 -0.07 -0.57 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.01 0.43 -3.96 1.61 8.25 -1.26 -1.67 115.22 115.60 1qo6 n HIS 3 Ca -0.03 1.04 -0.35 0.00 -0.26 0.00 0.00 57.72 58.12 1qo6 n HIS 3 Cb 0.11 -2.06 -0.10 0.00 1.12 0.00 0.00 29.99 29.06 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 0.64 2.91 0.00 0.00 1.01 -1.26 0.26 120.40 123.97 1qo6 s VAL 5 Ca 0.03 -3.68 -0.01 0.00 0.00 0.00 0.00 61.98 58.33 1qo6 s VAL 5 Cb -0.13 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1qo6 s VAL 5 CO 0.02 -0.90 0.85 1.07 0.00 0.00 0.00 175.10 176.13 1qo6 n THR 6 N 2.68 -0.02 0.00 3.92 5.66 -1.26 -4.64 114.28 120.62 1qo6 n THR 6 Ca 0.12 1.27 0.00 0.00 -3.05 0.00 0.00 64.05 62.39 1qo6 n THR 6 Cb 0.34 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.43 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 -2.91 0.00 -0.55 1.09 8.00 -1.26 -5.05 116.55 115.88 1qo6 n ASP 7 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qo6 n ASP 7 Cb 0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1qo6 n SER 8 N 0.00 -0.05 0.00 -2.24 2.88 -1.26 -4.95 113.62 108.00 1qo6 n SER 8 Ca 0.00 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.29 1qo6 n SER 8 Cb 0.00 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.01 0.00 3.91 0.46 0.00 -1.26 -5.08 105.19 103.24 1qo6 n GLY 9 Ca -0.02 0.00 -0.30 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 -1.62 5.27 -0.46 1.61 1.01 -1.26 -5.08 120.40 119.87 1qo6 s VAL 10 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1qo6 s VAL 10 Cb 0.00 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 32.88 1qo6 s VAL 10 CO 0.00 0.03 0.30 -0.69 0.00 0.00 0.00 175.10 174.73 1qo6 s VAL 11 N -1.65 1.14 0.56 2.92 1.01 -1.26 -4.12 120.40 119.00 1qo6 s VAL 11 Ca 0.38 -2.69 -0.10 0.00 0.00 0.00 0.00 61.98 59.57 1qo6 s VAL 11 Cb -0.12 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.61 1qo6 s VAL 11 CO 0.27 -1.01 0.64 -1.22 0.00 0.00 0.00 175.10 173.78 1qo6 n TYR 12 N 3.22 -3.78 -4.46 5.22 4.01 0.74 -4.77 117.16 117.33 1qo6 n TYR 12 Ca 0.16 -0.57 -0.22 0.00 -0.16 0.00 0.00 57.90 57.11 1qo6 n TYR 12 Cb 0.38 -0.56 -0.16 0.00 -0.31 0.00 0.00 39.34 38.70 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 -3.34 1.41 -0.38 7.72 0.01 -1.26 0.15 113.70 118.01 1qo6 s SER 13 Ca 0.38 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.39 1qo6 s SER 13 Cb -0.02 -0.46 -0.13 0.00 0.21 0.00 0.00 66.02 65.62 1qo6 s SER 13 CO 0.28 0.06 0.94 0.55 0.41 0.00 0.00 173.24 175.48 1qo6 n VAL 14 N 3.44 0.00 0.00 3.43 3.14 -0.67 0.20 118.33 127.87 1qo6 n VAL 14 Ca -0.20 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1qo6 n VAL 14 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 2.63 1.31 3.59 7.55 0.00 0.27 -4.95 105.19 115.59 1qo6 n GLY 15 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qo6 s MET 16 N 0.00 3.74 0.40 1.61 1.00 0.52 -4.82 119.30 121.75 1qo6 s MET 16 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 55.69 56.10 1qo6 s MET 16 Cb 0.00 -3.86 -0.05 0.00 0.00 0.00 0.00 34.83 30.92 1qo6 s MET 16 CO 0.00 -1.11 0.71 -0.65 0.00 0.00 0.00 175.02 173.97 1qo6 s GLN 17 N 3.75 3.64 0.00 2.03 -0.21 -1.26 -3.83 119.66 123.78 1qo6 s GLN 17 Ca 0.40 0.22 0.00 0.00 0.02 0.00 0.00 55.36 56.00 1qo6 s GLN 17 Cb -0.10 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.45 1qo6 s GLN 17 CO 0.23 -0.03 0.00 -2.67 -2.12 0.00 0.00 175.29 170.70 1qo6 n TRP 18 N -1.60 -0.32 -3.53 0.91 2.14 0.50 -5.00 117.44 110.56 1qo6 n TRP 18 Ca 0.00 0.00 -0.16 0.00 2.07 0.00 0.00 57.50 59.41 1qo6 n TRP 18 Cb 0.55 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.99 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 -0.46 0.19 5.67 2.96 -1.26 -2.35 118.68 123.42 1qo6 s LEU 19 Ca 0.00 0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 1qo6 s LEU 19 Cb 0.00 2.41 -0.01 0.00 0.50 0.00 0.00 46.19 49.09 1qo6 s LEU 19 CO 0.00 -0.68 0.34 -1.59 -1.32 0.00 0.00 176.35 173.10 1qo6 s LYS 20 N -1.81 1.27 0.11 1.98 -2.85 0.36 -4.93 119.74 113.86 1qo6 s LYS 20 Ca -0.08 -1.19 0.09 0.00 -1.00 0.00 0.00 55.97 53.78 1qo6 s LYS 20 Cb -0.01 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 1qo6 s LYS 20 CO 0.04 -0.48 -0.18 0.99 0.10 0.00 0.00 175.35 175.82 1qo6 s THR 21 N -3.98 2.86 -0.47 3.79 2.01 -1.26 0.11 115.64 118.69 1qo6 s THR 21 Ca 0.19 -1.47 0.04 0.00 0.31 0.00 0.00 61.69 60.76 1qo6 s THR 21 Cb 0.02 -2.31 0.43 0.00 0.01 0.00 0.00 72.50 70.66 1qo6 s THR 21 CO 0.03 0.12 1.43 0.00 -0.69 0.00 0.00 174.62 175.50 1qo6 n GLN 22 N 0.85 3.29 0.00 4.92 1.13 -1.26 -4.88 117.38 121.42 1qo6 n GLN 22 Ca -0.16 -4.03 0.00 0.00 -1.94 0.00 0.00 57.00 50.88 1qo6 n GLN 22 Cb 0.53 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.60 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 -0.66 2.09 0.00 1.08 0.00 -1.26 -4.42 105.19 102.02 1qo6 n GLY 23 Ca 0.47 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1qo6 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 24 N 1.64 0.73 0.00 1.61 3.02 -1.26 -5.06 115.26 115.95 1qo6 n ASN 24 Ca 0.00 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 1qo6 n ASN 24 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qo6 n LYS 25 N -0.07 3.96 -3.70 3.52 4.01 -1.26 -5.15 118.16 119.47 1qo6 n LYS 25 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1qo6 n LYS 25 Cb 0.16 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.57 1qo6 n LYS 25 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1qo6 s GLN 26 N 3.87 0.35 -0.16 1.97 0.74 -1.22 -4.36 119.66 120.85 1qo6 s GLN 26 Ca 0.00 0.74 -0.00 0.00 0.05 0.00 0.00 55.36 56.15 1qo6 s GLN 26 Cb 0.00 -0.03 0.03 0.00 1.10 0.00 0.00 33.01 34.11 1qo6 s GLN 26 CO 0.00 -0.17 -0.08 1.41 -0.55 0.00 0.00 175.29 175.90 1qo6 s MET 27 N 1.44 1.70 -0.15 1.67 1.75 0.30 -0.11 119.30 125.89 1qo6 s MET 27 Ca -0.09 -0.52 -0.08 0.00 -1.25 0.00 0.00 55.69 53.74 1qo6 s MET 27 Cb -0.09 -2.00 -0.04 0.00 2.84 0.00 0.00 34.83 35.54 1qo6 s MET 27 CO -0.12 -0.36 0.15 -1.17 -0.65 0.00 0.00 175.02 172.87 1qo6 s LEU 28 N 1.59 4.32 0.04 4.11 0.20 -0.64 0.13 118.68 128.44 1qo6 s LEU 28 Ca 0.02 0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.26 1qo6 s LEU 28 Cb -0.14 -2.10 -0.02 0.00 -0.43 0.00 0.00 46.19 43.49 1qo6 s LEU 28 CO -0.08 0.32 -0.08 0.00 -0.29 0.00 0.00 176.35 176.21 1qo6 s THR 30 N -1.34 0.13 -0.28 0.00 2.01 0.36 -0.37 115.64 116.16 1qo6 s THR 30 Ca -0.09 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 60.85 1qo6 s THR 30 Cb -0.10 -1.11 0.07 0.00 0.01 0.00 0.00 72.50 71.37 1qo6 s THR 30 CO 0.01 -0.60 -0.04 0.00 -0.69 0.00 0.00 174.62 173.29 1qo6 n LEU 32 N 4.45 0.66 0.00 0.00 -0.00 -1.24 0.97 117.00 121.83 1qo6 n LEU 32 Ca -0.08 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 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 0.20 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 1qo6 n GLY 33 N 2.70 0.19 0.12 1.47 0.00 -1.26 -3.70 105.19 104.71 1qo6 n GLY 33 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1qo6 n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qo6 n ASN 34 N -1.05 0.98 0.00 1.61 6.94 -1.26 -4.94 115.26 117.54 1qo6 n ASN 34 Ca 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 54.58 53.77 1qo6 n ASN 34 Cb 0.00 0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 1qo6 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qo6 n GLY 35 N 1.46 2.81 3.63 4.83 0.00 -1.26 -5.12 105.19 111.54 1qo6 n GLY 35 Ca 0.07 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.62 4.57 0.16 1.61 1.01 -1.26 -3.66 120.40 121.21 1qo6 s VAL 36 Ca 0.00 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.57 1qo6 s VAL 36 Cb 0.00 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1qo6 s VAL 36 CO 0.00 -0.46 0.10 -0.55 0.00 0.00 0.00 175.10 174.19 1qo6 s SER 37 N 1.70 5.34 -0.05 3.32 0.15 0.59 -4.91 113.70 119.84 1qo6 s SER 37 Ca 0.42 -0.19 -0.20 0.00 0.70 0.00 0.00 55.95 56.68 1qo6 s SER 37 Cb -0.12 -1.34 0.04 0.00 -1.71 0.00 0.00 66.02 62.89 1qo6 s SER 37 CO 0.16 0.08 0.46 0.00 1.20 0.00 0.00 173.24 175.13 1qo6 s GLN 39 N -1.01 2.95 0.08 0.00 -0.21 0.69 -4.92 119.66 117.24 1qo6 s GLN 39 Ca -0.10 -1.03 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 1qo6 s GLN 39 Cb -0.03 -3.95 -0.06 0.00 1.00 0.00 0.00 33.01 29.97 1qo6 s GLN 39 CO 0.05 -0.74 1.19 -1.83 -2.12 0.00 0.00 175.29 171.84 1qo6 s GLU 40 N 1.67 4.45 0.00 2.91 -1.05 -1.26 -1.61 118.70 123.80 1qo6 s GLU 40 Ca 0.05 1.76 0.00 0.00 -0.15 0.00 0.00 54.97 56.63 1qo6 s GLU 40 Cb -0.19 -3.34 0.00 0.00 -0.44 0.00 0.00 34.13 30.16 1qo6 s GLU 40 CO 0.10 -0.21 0.00 -2.37 0.95 0.00 0.00 175.26 173.72 1qo6 n THR 41 N 3.71 0.00 0.00 1.83 5.66 0.84 -4.92 114.28 121.39 1qo6 n THR 41 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1qo6 n THR 41 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1qo6 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qo6 n ALA 42 N 0.00 0.00 -0.23 1.79 0.00 -0.86 -3.38 120.51 117.83 1qo6 n ALA 42 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 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 1.33 0.00 0.00 0.00 177.50 178.83 1qo6 n VAL 43 N 0.00 0.00 -3.70 0.00 0.24 -1.26 -5.01 118.33 108.60 1qo6 n VAL 43 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 1qo6 n VAL 43 Cb 0.00 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1qo6 s THR 44 N -0.47 0.00 0.73 3.34 -4.23 -1.26 -4.98 115.64 108.77 1qo6 s THR 44 Ca 0.00 -0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 60.35 1qo6 s THR 44 Cb 0.00 -2.27 0.06 0.00 1.34 0.00 0.00 72.50 71.63 1qo6 s THR 44 CO 0.00 0.00 1.08 -1.10 -0.54 0.00 0.00 174.62 174.06 1qo6 s GLN 45 N -2.09 2.27 -0.30 3.99 -1.52 -1.26 -4.96 119.66 115.78 1qo6 s GLN 45 Ca 0.19 0.00 -0.11 0.00 -1.95 0.00 0.00 55.36 53.50 1qo6 s GLN 45 Cb 0.05 -2.08 0.14 0.00 -0.22 0.00 0.00 33.01 30.90 1qo6 s GLN 45 CO -0.05 -1.29 0.72 0.95 -0.25 0.00 0.00 175.29 175.36 1qo6 s THR 46 N -3.36 -0.90 -0.08 -0.19 -4.23 -1.25 -4.18 115.64 101.46 1qo6 s THR 46 Ca 0.60 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1qo6 s THR 46 Cb -0.11 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.75 1qo6 s THR 46 CO 0.47 0.00 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.78 1qo6 s TYR 47 N 2.80 1.09 0.00 3.99 -0.85 -1.26 -4.49 117.35 118.63 1qo6 s TYR 47 Ca -0.05 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 1qo6 s TYR 47 Cb -0.11 -0.95 0.00 0.00 0.38 0.00 0.00 41.96 41.28 1qo6 s TYR 47 CO -0.19 -0.34 0.00 0.41 -1.52 0.00 0.00 175.55 173.91 1qo6 n GLY 48 N 4.57 2.52 1.01 5.49 0.00 -1.26 -3.80 105.19 113.73 1qo6 n GLY 48 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.03 0.00 -0.02 0.00 -1.26 -2.66 105.19 102.28 1qo6 n GLY 49 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 1.42 1.08 0.00 1.61 2.85 -0.54 -4.92 115.26 116.77 1qo6 n ASN 50 Ca 0.00 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.15 1qo6 n ASN 50 Cb 0.00 1.47 0.00 0.00 1.24 0.00 0.00 39.78 42.49 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1qo6 n SER 51 N -1.81 0.00 -0.63 1.20 7.64 -0.96 -4.74 113.62 114.32 1qo6 n SER 51 Ca -0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 1qo6 n SER 51 Cb 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.00 -0.39 -0.08 6.43 5.15 -1.25 -4.90 115.26 120.22 1qo6 n ASN 52 Ca 0.00 -0.92 -0.01 0.00 -0.60 0.00 0.00 54.58 53.05 1qo6 n ASN 52 Cb 0.00 0.12 -0.00 0.00 -0.53 0.00 0.00 39.78 39.37 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 0.00 0.36 3.77 8.20 0.00 -1.09 -4.11 105.19 112.32 1qo6 n GLY 53 Ca -0.11 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.68 2.22 0.32 1.61 2.02 -1.26 -4.63 118.70 115.30 1qo6 s GLU 54 Ca 0.00 1.12 -0.29 0.00 0.02 0.00 0.00 54.97 55.82 1qo6 s GLU 54 Cb 0.00 -1.90 -0.12 0.00 0.10 0.00 0.00 34.13 32.21 1qo6 s GLU 54 CO 0.00 -1.65 1.38 -2.30 0.02 0.00 0.00 175.26 172.70 1qo6 n PRO 55 N -3.52 2.24 -0.13 0.39 -0.02 -1.26 -4.86 135.00 127.84 1qo6 n PRO 55 Ca 0.09 0.79 -0.07 0.00 -2.02 0.00 0.00 63.50 62.29 1qo6 n PRO 55 Cb 0.53 -2.43 0.06 0.00 -0.02 0.00 0.00 33.50 31.65 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 -3.41 0.00 -3.39 0.00 3.14 0.82 -4.69 118.33 110.80 1qo6 n VAL 57 Ca 0.03 -1.49 -0.23 0.00 -2.96 0.00 0.00 64.34 59.69 1qo6 n VAL 57 Cb 0.14 1.25 -0.01 0.00 -1.06 0.00 0.00 33.84 34.16 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 -2.73 3.97 0.24 6.55 -0.00 -1.26 -4.00 118.68 121.45 1qo6 s LEU 58 Ca 0.22 0.28 -0.30 0.00 -0.00 0.00 0.00 54.13 54.33 1qo6 s LEU 58 Cb 0.34 -3.14 -0.09 0.00 -0.00 0.00 0.00 46.19 43.30 1qo6 s LEU 58 CO -0.07 -0.37 1.26 -2.84 -0.00 0.00 0.00 176.35 174.33 1qo6 s PRO 59 N -4.30 4.43 0.47 1.48 0.02 -1.26 -5.01 135.00 130.83 1qo6 s PRO 59 Ca 0.42 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.50 1qo6 s PRO 59 Cb -0.10 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 1qo6 s PRO 59 CO 0.35 -0.14 0.06 -0.59 -0.33 0.00 0.00 177.00 176.34 1qo6 s PHE 60 N -0.39 2.12 -0.13 6.54 -0.12 -0.96 -4.92 117.98 120.12 1qo6 s PHE 60 Ca 0.53 -0.82 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 1qo6 s PHE 60 Cb -0.36 -1.73 0.01 0.00 -0.63 0.00 0.00 43.02 40.31 1qo6 s PHE 60 CO 0.42 0.23 -0.19 0.99 -0.05 0.00 0.00 175.22 176.61 1qo6 s THR 61 N -2.79 1.80 -0.05 -4.49 2.01 -1.26 -2.08 115.64 108.78 1qo6 s THR 61 Ca 0.21 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 1qo6 s THR 61 Cb 0.04 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.96 1qo6 s THR 61 CO 0.11 0.50 0.11 -0.47 -0.69 0.00 0.00 174.62 174.19 1qo6 s TYR 62 N 0.92 -0.12 0.00 4.92 5.04 -0.83 -4.53 117.35 122.75 1qo6 s TYR 62 Ca -0.06 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1qo6 s TYR 62 Cb -0.15 -0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.08 1qo6 s TYR 62 CO -0.02 -0.12 0.00 0.09 -1.34 0.00 0.00 175.55 174.15 1qo6 n ASN 63 N 3.89 -3.78 0.00 4.32 3.02 -1.26 -1.73 115.26 119.73 1qo6 n ASN 63 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1qo6 n ASN 63 Cb 0.53 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.47 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qo6 n GLY 64 N -0.80 0.45 0.00 7.41 0.00 -1.26 -5.08 105.19 105.91 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 -1.60 2.85 -3.90 1.61 1.85 -0.70 -5.10 116.66 111.68 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 1.05 0.07 -0.00 8.89 2.01 -1.26 -1.97 115.64 124.42 1qo6 s THR 66 Ca 0.00 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1qo6 s THR 66 Cb 0.00 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1qo6 s THR 66 CO 0.00 -0.31 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.19 1qo6 s PHE 67 N -1.00 0.62 -1.34 4.92 0.40 -0.88 -4.96 117.98 115.73 1qo6 s PHE 67 Ca -0.11 -0.13 0.15 0.00 -0.60 0.00 0.00 56.93 56.24 1qo6 s PHE 67 Cb -0.06 -0.39 0.56 0.00 0.51 0.00 0.00 43.02 43.63 1qo6 s PHE 67 CO 0.00 -0.01 1.44 0.66 0.70 0.00 0.00 175.22 178.01 1qo6 n TYR 68 N 2.84 1.12 -1.99 0.36 4.01 -1.26 -2.27 117.16 119.98 1qo6 n TYR 68 Ca -0.13 -0.46 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 1qo6 n TYR 68 Cb 0.58 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.89 0.00 -4.65 7.72 2.88 -1.26 -4.84 113.62 114.36 1qo6 n SER 69 Ca 0.20 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.44 1qo6 n SER 69 Cb 0.69 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.33 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 -2.64 0.00 -0.58 0.00 -1.32 -0.22 -4.88 115.64 106.00 1qo6 s THR 71 Ca 0.67 -0.05 0.06 0.00 -1.21 0.00 0.00 61.69 61.16 1qo6 s THR 71 Cb -0.23 -1.14 0.22 0.00 -1.51 0.00 0.00 72.50 69.84 1qo6 s THR 71 CO 0.59 0.00 0.60 0.35 -2.21 0.00 0.00 174.62 173.95 1qo6 n THR 72 N -0.18 1.21 -0.92 5.08 -2.24 -1.26 0.08 114.28 116.05 1qo6 n THR 72 Ca -0.03 -4.71 0.04 0.00 -2.27 0.00 0.00 64.05 57.08 1qo6 n THR 72 Cb 0.60 -2.05 0.06 0.00 -2.10 0.00 0.00 70.33 66.84 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qo6 n GLU 73 N 1.42 1.38 0.00 -0.78 -0.58 -1.26 -4.89 120.64 115.93 1qo6 n GLU 73 Ca 0.26 -1.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.29 1qo6 n GLU 73 Cb 0.43 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 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 -0.72 -1.86 2.59 0.62 0.00 -1.26 -5.02 105.19 99.54 1qo6 n GLY 74 Ca 0.06 0.83 -0.23 0.00 0.00 0.00 0.00 46.02 46.69 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 1.07 -0.33 1.61 0.00 -1.26 -5.02 116.66 112.73 1qo6 n ARG 75 Ca 0.00 -2.64 0.01 0.00 -0.00 0.00 0.00 57.85 55.22 1qo6 n ARG 75 Cb 0.00 0.79 0.13 0.00 -0.00 0.00 0.00 32.46 33.37 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 -0.88 2.22 0.00 2.89 6.02 -1.26 -4.75 117.38 121.62 1qo6 n GLN 76 Ca -0.14 -1.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 1qo6 n GLN 76 Cb 0.46 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1qo6 n ASP 77 N 0.18 0.00 0.00 1.08 -0.08 -1.26 -5.01 116.55 111.46 1qo6 n ASP 77 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1qo6 n ASP 77 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 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 0.00 0.00 3.67 0.27 0.00 -1.26 -5.08 105.19 102.79 1qo6 n GLY 78 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.34 0.05 1.61 3.76 -1.26 -4.99 115.29 117.80 1qo6 s HIS 79 Ca 0.00 0.34 -0.37 0.00 -0.15 0.00 0.00 55.06 54.88 1qo6 s HIS 79 Cb 0.00 -2.32 -0.19 0.00 1.11 0.00 0.00 32.58 31.18 1qo6 s HIS 79 CO 0.00 0.07 0.94 1.28 -0.85 0.00 0.00 174.74 176.18 1qo6 n LEU 80 N 4.24 -0.29 -3.92 0.89 4.32 -1.26 -4.76 117.00 116.22 1qo6 n LEU 80 Ca -0.13 1.14 -0.10 0.00 -0.02 0.00 0.00 56.01 56.90 1qo6 n LEU 80 Cb 0.52 -0.92 -0.11 0.00 -1.62 0.00 0.00 43.42 41.28 1qo6 n LEU 80 CO 0.36 -2.14 -0.30 -1.66 -1.22 0.00 0.00 177.39 172.43 1qo6 s TRP 81 N -0.23 0.12 0.24 -1.77 1.48 0.11 0.68 118.94 119.58 1qo6 s TRP 81 Ca 0.84 -0.26 0.01 0.00 -1.06 0.00 0.00 56.10 55.64 1qo6 s TRP 81 Cb -1.18 -0.10 -0.00 0.00 -1.16 0.00 0.00 33.47 31.02 1qo6 s TRP 81 CO 0.56 -0.16 0.03 0.00 -4.06 0.00 0.00 176.95 173.32 1qo6 s SER 83 N -2.37 4.25 0.02 0.00 0.15 -1.26 -1.55 113.70 112.94 1qo6 s SER 83 Ca 0.05 -0.23 0.17 0.00 0.70 0.00 0.00 55.95 56.64 1qo6 s SER 83 Cb 0.00 -1.46 -0.17 0.00 -1.71 0.00 0.00 66.02 62.68 1qo6 s SER 83 CO 0.03 0.22 0.70 0.35 1.20 0.00 0.00 173.24 175.75 1qo6 n THR 84 N 3.15 1.12 -5.25 6.45 -2.24 -0.60 0.29 114.28 117.21 1qo6 n THR 84 Ca -0.18 -0.70 -0.31 0.00 -2.27 0.00 0.00 64.05 60.59 1qo6 n THR 84 Cb 0.53 -0.65 -0.17 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.92 2.04 0.32 4.28 2.01 -1.25 -4.45 115.64 115.68 1qo6 s THR 85 Ca -0.04 -1.05 0.08 0.00 0.31 0.00 0.00 61.69 60.99 1qo6 s THR 85 Cb 0.09 -1.74 0.31 0.00 0.01 0.00 0.00 72.50 71.17 1qo6 s THR 85 CO 0.82 0.56 1.79 -1.28 -0.69 0.00 0.00 174.62 175.83 1qo6 h SER 86 N 6.23 0.73 -2.48 3.53 0.87 -1.90 -3.00 113.55 117.53 1qo6 h SER 86 Ca -0.29 0.08 -0.78 0.00 -1.23 0.00 0.00 61.79 59.58 1qo6 h SER 86 Cb 1.19 -0.05 -0.22 0.00 -0.44 0.00 0.00 62.40 62.88 1qo6 h SER 86 CO 0.47 0.27 1.17 -3.20 -0.53 0.00 0.00 176.83 175.01 1qo6 n ASN 87 N -4.71 5.63 0.14 6.23 2.85 -1.26 -4.49 115.26 119.65 1qo6 n ASN 87 Ca 0.22 -3.16 0.00 0.00 -0.11 0.00 0.00 54.58 51.53 1qo6 n ASN 87 Cb 0.58 -1.41 0.16 0.00 1.24 0.00 0.00 39.78 40.36 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 6.11 0.00 0.00 1.20 5.03 -1.79 0.45 116.97 127.97 1qo6 h TYR 88 Ca 0.27 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.58 1qo6 h TYR 88 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1qo6 h TYR 88 CO 1.04 0.60 0.00 0.93 -1.32 0.00 0.00 178.16 179.41 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.85 0.59 114.58 120.21 1qo6 h GLU 89 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1qo6 h GLU 89 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1qo6 h GLU 89 CO 0.08 0.00 -1.67 0.94 -1.00 0.00 0.00 179.01 177.36 1qo6 n GLN 90 N -2.95 0.27 -0.06 2.33 -0.06 -1.06 -4.77 117.38 111.07 1qo6 n GLN 90 Ca -0.01 0.09 -0.15 0.00 -2.00 0.00 0.00 57.00 54.93 1qo6 n GLN 90 Cb 0.18 -1.09 -0.13 0.00 -4.06 0.00 0.00 30.24 25.14 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 -0.21 0.03 -1.82 1.69 5.19 -0.11 -3.48 116.42 117.71 1qo6 h ASP 91 Ca -0.28 -0.99 -0.20 0.00 -0.62 0.00 0.00 57.03 54.94 1qo6 h ASP 91 Cb 1.34 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.84 1qo6 h ASP 91 CO -0.11 1.04 -0.27 1.67 -3.12 0.00 0.00 179.24 178.44 1qo6 n GLN 92 N -4.57 -1.42 -3.36 3.56 -0.06 0.20 -4.99 117.38 106.74 1qo6 n GLN 92 Ca -0.11 0.47 -0.44 0.00 -2.00 0.00 0.00 57.00 54.92 1qo6 n GLN 92 Cb 0.51 -4.46 -0.08 0.00 -4.06 0.00 0.00 30.24 22.15 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 -4.73 3.00 0.27 3.69 3.01 -1.26 -4.98 119.74 118.73 1qo6 s LYS 93 Ca 0.06 -1.26 0.09 0.00 -1.01 0.00 0.00 55.97 53.84 1qo6 s LYS 93 Cb -0.03 -4.12 -0.05 0.00 -1.01 0.00 0.00 37.83 32.62 1qo6 s LYS 93 CO 0.07 -1.04 -0.13 1.52 0.51 0.00 0.00 175.35 176.28 1qo6 s TYR 94 N 1.78 2.07 0.00 3.18 -0.85 -1.26 -1.56 117.35 120.71 1qo6 s TYR 94 Ca 0.06 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 1qo6 s TYR 94 Cb -0.23 -1.03 0.00 0.00 0.38 0.00 0.00 41.96 41.08 1qo6 s TYR 94 CO 0.08 0.50 0.00 -1.13 -1.52 0.00 0.00 175.55 173.47 1qo6 n SER 95 N -0.57 1.21 -4.42 -0.18 3.41 -0.60 -1.47 113.62 111.00 1qo6 n SER 95 Ca -0.06 -0.91 -0.22 0.00 -0.26 0.00 0.00 58.87 57.42 1qo6 n SER 95 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.00 -0.74 -3.22 7.33 3.72 -1.25 -1.90 117.46 121.41 1qo6 n PHE 96 Ca 0.00 -1.99 0.00 0.00 -0.05 0.00 0.00 57.45 55.41 1qo6 n PHE 96 Cb 0.00 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.14 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 4.45 0.00 0.00 0.00 5.66 -1.26 -4.35 114.28 118.77 1qo6 n THR 98 Ca 0.11 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1qo6 n THR 98 Cb 0.56 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 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 -0.37 0.00 0.00 1.09 2.03 -1.26 -4.84 116.55 113.20 1qo6 n ASP 99 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1qo6 n ASP 99 Cb 0.32 0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.74 0.00 1.40 -0.67 -0.00 -1.26 -5.22 115.22 107.72 1qo6 n HIS 100 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.86 1qo6 n HIS 100 Cb 0.00 0.00 0.44 0.00 -0.00 0.00 0.00 29.99 30.43 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97