#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 2.53 3.74 2.98 0.00 -1.26 -5.01 105.19 108.17 1qo6 n GLY 2 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 2.41 -0.06 1.61 3.76 -1.26 -3.49 115.29 118.26 1qo6 s HIS 3 Ca 0.00 1.46 -0.00 0.00 -0.15 0.00 0.00 55.06 56.36 1qo6 s HIS 3 Cb 0.00 -3.11 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1qo6 s HIS 3 CO 0.00 -2.10 -0.02 0.00 -0.85 0.00 0.00 174.74 171.77 1qo6 s VAL 5 N -0.92 0.44 -0.18 0.00 -7.23 -1.26 0.26 120.40 111.52 1qo6 s VAL 5 Ca 0.15 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.17 1qo6 s VAL 5 Cb -0.11 -2.45 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 1qo6 s VAL 5 CO 0.04 -0.14 -0.33 0.35 -0.31 0.00 0.00 175.10 174.71 1qo6 n THR 6 N -0.35 1.47 0.00 5.32 -2.24 -1.26 -4.98 114.28 112.24 1qo6 n THR 6 Ca -0.01 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1qo6 n THR 6 Cb 0.65 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1qo6 n THR 6 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qo6 n ASP 7 N -4.36 0.00 0.00 3.42 9.92 -1.26 -5.03 116.55 119.24 1qo6 n ASP 7 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1qo6 n ASP 7 Cb 0.54 0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1qo6 n ASP 7 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1qo6 n SER 8 N -1.61 0.00 0.00 -2.24 2.88 -1.26 -5.04 113.62 106.35 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 0.00 3.64 0.46 0.00 -1.26 -5.10 105.19 102.93 1qo6 n GLY 9 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.39 2.82 -0.40 1.61 1.01 -1.26 -5.09 120.40 117.70 1qo6 s VAL 10 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 61.98 60.06 1qo6 s VAL 10 Cb 0.00 -2.80 0.16 0.00 0.00 0.00 0.00 36.38 33.74 1qo6 s VAL 10 CO 0.00 -0.24 0.30 -0.69 0.00 0.00 0.00 175.10 174.47 1qo6 s VAL 11 N -2.47 0.36 0.36 2.92 1.01 -1.26 -4.38 120.40 116.94 1qo6 s VAL 11 Ca 0.34 -2.38 -0.06 0.00 0.00 0.00 0.00 61.98 59.88 1qo6 s VAL 11 Cb -0.02 -1.27 0.08 0.00 0.00 0.00 0.00 36.38 35.18 1qo6 s VAL 11 CO 0.20 -1.14 0.48 -1.22 0.00 0.00 0.00 175.10 173.42 1qo6 n TYR 12 N 3.23 -3.99 -3.95 5.22 4.01 0.73 -4.85 117.16 117.56 1qo6 n TYR 12 Ca 0.23 -0.43 -0.10 0.00 -0.16 0.00 0.00 57.90 57.45 1qo6 n TYR 12 Cb 0.44 -0.37 -0.11 0.00 -0.31 0.00 0.00 39.34 38.98 1qo6 n TYR 12 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1qo6 s SER 13 N -2.76 0.18 -0.77 7.72 0.01 -1.26 -1.05 113.70 115.76 1qo6 s SER 13 Ca 0.27 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 57.04 1qo6 s SER 13 Cb -0.01 0.10 -0.25 0.00 0.21 0.00 0.00 66.02 66.08 1qo6 s SER 13 CO 0.19 -0.27 1.93 0.55 0.41 0.00 0.00 173.24 176.05 1qo6 n VAL 14 N 1.78 0.00 0.00 3.43 3.14 -1.23 -0.58 118.33 124.87 1qo6 n VAL 14 Ca -0.22 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 1qo6 n VAL 14 Cb 0.56 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 1qo6 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qo6 n GLY 15 N 5.41 0.96 2.58 7.55 0.00 -0.70 -5.01 105.19 115.99 1qo6 n GLY 15 Ca 0.51 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 3.18 -0.95 1.61 2.00 0.25 -5.04 117.12 118.18 1qo6 n MET 16 Ca 0.00 -4.47 -0.34 0.00 0.00 0.00 0.00 57.70 52.88 1qo6 n MET 16 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 33.22 31.02 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 -0.39 0.00 -2.35 0.03 6.02 -1.26 -4.82 117.38 114.61 1qo6 n GLN 17 Ca 0.35 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.31 1qo6 n GLN 17 Cb 0.62 -0.79 -0.01 0.00 1.02 0.00 0.00 30.24 31.08 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 0.38 -0.22 -3.98 1.08 2.14 0.31 -5.02 117.44 112.15 1qo6 n TRP 18 Ca 0.12 -0.50 -0.30 0.00 2.07 0.00 0.00 57.50 58.89 1qo6 n TRP 18 Cb 0.12 0.06 -0.16 0.00 -0.81 0.00 0.00 31.31 30.52 1qo6 n TRP 18 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1qo6 s LEU 19 N 0.00 2.05 0.01 5.67 2.01 -1.26 -1.70 118.68 125.45 1qo6 s LEU 19 Ca 0.07 -0.78 -0.16 0.00 0.01 0.00 0.00 54.13 53.27 1qo6 s LEU 19 Cb 0.00 -1.16 -0.06 0.00 0.01 0.00 0.00 46.19 44.99 1qo6 s LEU 19 CO 0.05 -0.14 0.45 -0.75 1.01 0.00 0.00 176.35 176.97 1qo6 s LYS 20 N 1.46 4.03 0.00 1.70 2.47 0.80 -4.84 119.74 125.36 1qo6 s LYS 20 Ca 0.00 0.50 0.00 0.00 -1.56 0.00 0.00 55.97 54.91 1qo6 s LYS 20 Cb -0.15 -3.24 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 1qo6 s LYS 20 CO -0.08 0.63 0.00 2.41 0.16 0.00 0.00 175.35 178.47 1qo6 n THR 21 N 1.96 0.00 -1.63 3.43 -1.04 -1.26 0.61 114.28 116.35 1qo6 n THR 21 Ca -0.12 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 1qo6 n THR 21 Cb 0.52 0.69 -0.01 0.00 -1.82 0.00 0.00 70.33 69.71 1qo6 n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qo6 n GLN 22 N -0.83 2.82 0.00 -2.82 6.02 -1.26 -3.54 117.38 117.77 1qo6 n GLN 22 Ca 0.00 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.51 1qo6 n GLN 22 Cb 0.00 -3.20 0.00 0.00 1.02 0.00 0.00 30.24 28.06 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 4.08 0.26 0.65 1.08 0.00 -1.26 -5.09 105.19 104.90 1qo6 n GLY 23 Ca 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.28 0.00 0.00 1.61 5.15 -1.23 -5.05 115.26 114.46 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1qo6 n ASN 24 Cb 0.00 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1qo6 n LYS 25 N -1.52 0.00 -3.67 1.20 5.02 -1.26 -5.12 118.16 112.80 1qo6 n LYS 25 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1qo6 n LYS 25 Cb 0.00 -0.08 -0.08 0.00 -0.02 0.00 0.00 35.03 34.85 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 -1.92 0.66 -0.27 1.97 0.74 -1.26 -4.84 119.66 114.73 1qo6 s GLN 26 Ca 0.00 0.87 -0.05 0.00 0.05 0.00 0.00 55.36 56.23 1qo6 s GLN 26 Cb 0.00 0.27 0.15 0.00 1.10 0.00 0.00 33.01 34.53 1qo6 s GLN 26 CO 0.00 -0.10 0.55 -1.64 -0.55 0.00 0.00 175.29 173.55 1qo6 s MET 27 N 0.62 0.50 -0.24 1.67 -1.94 0.20 -0.10 119.30 119.99 1qo6 s MET 27 Ca -0.02 1.07 -0.29 0.00 -1.71 0.00 0.00 55.69 54.74 1qo6 s MET 27 Cb -0.05 0.45 0.01 0.00 2.01 0.00 0.00 34.83 37.25 1qo6 s MET 27 CO -0.04 -0.44 1.07 -1.17 -0.01 0.00 0.00 175.02 174.44 1qo6 s LEU 28 N 2.78 4.07 -0.14 -0.03 2.96 -0.85 0.28 118.68 127.75 1qo6 s LEU 28 Ca 0.08 1.33 -0.04 0.00 -0.22 0.00 0.00 54.13 55.28 1qo6 s LEU 28 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1qo6 s LEU 28 CO -0.18 -0.73 0.01 0.00 -1.32 0.00 0.00 176.35 174.12 1qo6 s THR 30 N -0.11 0.58 -0.38 0.00 2.01 0.15 -0.53 115.64 117.36 1qo6 s THR 30 Ca 0.04 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1qo6 s THR 30 Cb -0.13 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 71.92 1qo6 s THR 30 CO 0.02 0.04 0.17 0.00 -0.69 0.00 0.00 174.62 174.16 1qo6 n LEU 32 N 4.81 0.00 0.00 0.00 -0.00 -0.95 -1.72 117.00 119.14 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 0.34 0.00 -0.01 0.61 -0.00 0.00 0.00 177.39 178.33 1qo6 n GLY 33 N 3.23 0.00 0.12 1.47 0.00 -1.26 -4.39 105.19 104.36 1qo6 n GLY 33 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.15 0.00 1.61 -1.07 -2.00 -3.49 115.58 110.78 1qo6 h ASN 34 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.26 1qo6 h ASN 34 Cb 0.03 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 1qo6 h ASN 34 CO 0.00 0.88 0.00 0.61 0.07 0.00 0.00 177.43 178.99 1qo6 n GLY 35 N 0.70 2.08 2.70 9.14 0.00 -1.26 -5.15 105.19 113.40 1qo6 n GLY 35 Ca -0.02 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 1.00 -0.16 -0.15 1.61 1.01 -1.26 -2.25 120.40 120.21 1qo6 s VAL 36 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1qo6 s VAL 36 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1qo6 s VAL 36 CO 0.00 -0.01 0.00 -0.55 0.00 0.00 0.00 175.10 174.54 1qo6 s SER 37 N 2.21 5.15 0.46 3.32 0.15 0.27 -4.82 113.70 120.43 1qo6 s SER 37 Ca 0.04 0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.74 1qo6 s SER 37 Cb -0.14 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1qo6 s SER 37 CO -0.06 0.22 0.15 0.00 1.20 0.00 0.00 173.24 174.75 1qo6 s GLN 39 N -3.93 2.71 0.07 0.00 0.74 0.40 -4.92 119.66 114.73 1qo6 s GLN 39 Ca 0.30 -0.90 -0.31 0.00 0.05 0.00 0.00 55.36 54.51 1qo6 s GLN 39 Cb 0.03 -2.57 -0.09 0.00 1.10 0.00 0.00 33.01 31.48 1qo6 s GLN 39 CO 0.17 -0.29 1.82 -1.83 -0.55 0.00 0.00 175.29 174.61 1qo6 s GLU 40 N 1.28 4.15 0.00 1.67 1.03 -1.26 -2.02 118.70 123.56 1qo6 s GLU 40 Ca 0.02 2.52 0.00 0.00 0.03 0.00 0.00 54.97 57.54 1qo6 s GLU 40 Cb -0.14 -3.79 0.00 0.00 -0.80 0.00 0.00 34.13 29.39 1qo6 s GLU 40 CO -0.11 -0.86 0.00 2.41 -1.33 0.00 0.00 175.26 175.37 1qo6 n THR 41 N 5.03 0.00 -0.58 1.83 -1.04 0.85 -4.23 114.28 116.15 1qo6 n THR 41 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1qo6 n THR 41 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 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 -3.38 2.41 0.00 -1.19 -4.46 120.51 113.88 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 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.58 0.00 -3.86 0.00 0.24 -1.26 -3.98 118.33 106.89 1qo6 n VAL 43 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1qo6 n VAL 43 Cb 0.00 -0.55 0.01 0.00 -1.47 0.00 0.00 33.84 31.84 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 0.20 0.00 0.58 3.34 -4.23 -1.26 -4.89 115.64 109.38 1qo6 s THR 44 Ca 0.00 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.94 1qo6 s THR 44 Cb 0.00 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 71.14 1qo6 s THR 44 CO 0.00 0.00 0.81 -1.10 -0.54 0.00 0.00 174.62 173.79 1qo6 s GLN 45 N -2.31 2.26 -0.13 3.99 -0.21 -1.26 -4.94 119.66 117.06 1qo6 s GLN 45 Ca 0.20 -1.29 -0.11 0.00 0.02 0.00 0.00 55.36 54.18 1qo6 s GLN 45 Cb -0.03 -2.55 0.03 0.00 1.00 0.00 0.00 33.01 31.46 1qo6 s GLN 45 CO 0.05 -0.90 0.33 0.95 -2.12 0.00 0.00 175.29 173.61 1qo6 s THR 46 N -2.76 -0.00 -0.03 -0.19 -4.23 -1.26 -4.13 115.64 103.04 1qo6 s THR 46 Ca 0.61 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1qo6 s THR 46 Cb -0.07 -0.47 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 1qo6 s THR 46 CO 0.39 0.00 -0.01 0.00 -0.54 0.00 0.00 174.62 174.47 1qo6 n TYR 47 N 2.98 0.00 0.00 3.99 0.18 -1.26 -4.69 117.16 118.36 1qo6 n TYR 47 Ca -0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.64 1qo6 n TYR 47 Cb 0.57 -0.13 0.00 0.00 -0.38 0.00 0.00 39.34 39.40 1qo6 n TYR 47 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qo6 n GLY 48 N 3.02 3.78 2.70 -7.48 0.00 -1.26 -4.44 105.19 101.52 1qo6 n GLY 48 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.77 0.07 -0.02 0.00 -1.26 -1.93 105.19 100.27 1qo6 n GLY 49 Ca 0.00 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.37 1qo6 n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 50 N 0.08 0.39 -0.01 1.61 5.03 0.73 -2.87 115.26 120.21 1qo6 n ASN 50 Ca 0.00 0.58 0.04 0.00 0.87 0.00 0.00 54.58 56.06 1qo6 n ASN 50 Cb 0.00 -0.67 -0.09 0.00 -1.02 0.00 0.00 39.78 38.00 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1qo6 n SER 51 N -1.92 2.39 -0.02 6.41 2.88 -0.47 -4.74 113.62 118.16 1qo6 n SER 51 Ca 0.04 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1qo6 n SER 51 Cb 0.25 1.37 -0.00 0.00 -0.75 0.00 0.00 64.21 65.08 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 -2.00 -3.39 0.00 -3.46 2.85 -0.81 -4.70 115.26 103.75 1qo6 n ASN 52 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1qo6 n ASN 52 Cb 0.41 -0.91 0.00 0.00 1.24 0.00 0.00 39.78 40.52 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 -2.48 1.50 3.68 8.20 0.00 -0.99 -4.07 105.19 111.02 1qo6 n GLY 53 Ca -0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.08 0.83 -0.11 1.61 -1.05 -1.26 -5.00 118.70 111.64 1qo6 s GLU 54 Ca 0.00 -0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.09 1qo6 s GLU 54 Cb 0.00 0.29 -0.06 0.00 -0.44 0.00 0.00 34.13 33.92 1qo6 s GLU 54 CO 0.00 -0.38 2.02 -1.25 0.95 0.00 0.00 175.26 176.61 1qo6 s PRO 55 N -2.92 3.65 1.17 -4.83 0.04 -1.26 -4.88 135.00 125.98 1qo6 s PRO 55 Ca 0.12 2.22 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 1qo6 s PRO 55 Cb 0.01 -4.24 0.21 0.00 0.04 0.00 0.00 34.50 30.52 1qo6 s PRO 55 CO -0.01 -1.51 0.49 0.00 0.04 0.00 0.00 177.00 176.01 1qo6 n VAL 57 N -4.80 0.68 -3.83 0.00 3.14 0.71 -4.83 118.33 109.40 1qo6 n VAL 57 Ca 0.02 -4.69 -0.22 0.00 -2.96 0.00 0.00 64.34 56.49 1qo6 n VAL 57 Cb 0.58 -1.35 -0.04 0.00 -1.06 0.00 0.00 33.84 31.97 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 -2.21 3.46 0.29 6.55 -0.00 -1.26 -4.14 118.68 121.36 1qo6 s LEU 58 Ca 0.40 -0.64 -0.29 0.00 -0.00 0.00 0.00 54.13 53.60 1qo6 s LEU 58 Cb 0.24 -2.04 -0.10 0.00 -0.00 0.00 0.00 46.19 44.30 1qo6 s LEU 58 CO -0.09 -0.42 1.21 -2.84 -0.00 0.00 0.00 176.35 174.21 1qo6 s PRO 59 N -3.99 4.50 0.46 1.48 0.02 -1.26 -5.03 135.00 131.18 1qo6 s PRO 59 Ca 0.42 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.48 1qo6 s PRO 59 Cb -0.04 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 1qo6 s PRO 59 CO 0.26 -0.00 0.02 -0.59 -0.33 0.00 0.00 177.00 176.36 1qo6 s PHE 60 N -1.02 2.18 -0.17 6.54 -0.12 -0.97 -4.90 117.98 119.51 1qo6 s PHE 60 Ca 0.47 -0.81 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1qo6 s PHE 60 Cb -0.36 -1.70 0.01 0.00 -0.63 0.00 0.00 43.02 40.34 1qo6 s PHE 60 CO 0.46 0.32 -0.17 0.99 -0.05 0.00 0.00 175.22 176.76 1qo6 s THR 61 N -2.79 2.39 -0.03 -4.49 2.01 -1.26 -1.95 115.64 109.52 1qo6 s THR 61 Ca 0.21 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 1qo6 s THR 61 Cb 0.05 -2.01 0.03 0.00 0.01 0.00 0.00 72.50 70.58 1qo6 s THR 61 CO 0.11 0.52 0.02 -0.47 -0.69 0.00 0.00 174.62 174.10 1qo6 s TYR 62 N 1.15 0.20 0.00 4.92 5.04 -0.70 -4.78 117.35 123.18 1qo6 s TYR 62 Ca 0.01 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1qo6 s TYR 62 Cb -0.14 -0.38 0.00 0.00 0.35 0.00 0.00 41.96 41.79 1qo6 s TYR 62 CO -0.07 -0.13 0.00 -1.71 -1.34 0.00 0.00 175.55 172.30 1qo6 n ASN 63 N 4.34 -1.01 0.00 4.32 2.85 -1.26 -2.29 115.26 122.20 1qo6 n ASN 63 Ca -0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 1qo6 n ASN 63 Cb 0.50 -1.10 0.00 0.00 1.24 0.00 0.00 39.78 40.42 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 -1.88 0.90 0.00 8.20 0.00 -1.26 -5.08 105.19 106.06 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 2.48 -4.16 1.61 1.85 -0.97 -5.08 116.66 111.36 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 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 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 1.04 0.75 -0.10 8.89 2.01 -1.26 -1.72 115.64 125.25 1qo6 s THR 66 Ca 0.00 -1.79 -0.07 0.00 0.31 0.00 0.00 61.69 60.14 1qo6 s THR 66 Cb 0.00 -1.51 0.04 0.00 0.01 0.00 0.00 72.50 71.04 1qo6 s THR 66 CO 0.00 -0.75 0.25 -0.36 -0.69 0.00 0.00 174.62 173.06 1qo6 s PHE 67 N -3.13 -0.30 -2.24 4.92 0.40 -0.82 -4.95 117.98 111.86 1qo6 s PHE 67 Ca 0.08 0.72 0.19 0.00 -0.60 0.00 0.00 56.93 57.33 1qo6 s PHE 67 Cb 0.02 0.07 0.57 0.00 0.51 0.00 0.00 43.02 44.19 1qo6 s PHE 67 CO -0.03 -0.18 1.45 0.66 0.70 0.00 0.00 175.22 177.82 1qo6 n TYR 68 N 3.59 0.39 -3.08 0.36 4.01 -1.26 -2.30 117.16 118.87 1qo6 n TYR 68 Ca -0.19 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1qo6 n TYR 68 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1qo6 n TYR 68 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1qo6 n SER 69 N 0.74 0.00 -3.80 7.72 3.41 -1.26 -4.52 113.62 115.91 1qo6 n SER 69 Ca 0.17 -0.67 -0.24 0.00 -0.26 0.00 0.00 58.87 57.87 1qo6 n SER 69 Cb 0.41 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.53 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qo6 n THR 71 N -4.54 0.00 -1.78 0.00 5.66 0.01 -4.84 114.28 108.78 1qo6 n THR 71 Ca 0.05 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.93 1qo6 n THR 71 Cb 0.47 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.36 1qo6 n THR 71 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1qo6 n THR 72 N -0.02 2.48 1.33 1.09 -2.24 -1.26 -1.27 114.28 114.39 1qo6 n THR 72 Ca 0.00 -3.65 0.05 0.00 -2.27 0.00 0.00 64.05 58.17 1qo6 n THR 72 Cb 0.00 -0.73 0.17 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.91 1.51 0.00 -0.78 -0.58 -1.26 -3.65 120.64 114.96 1qo6 n GLU 73 Ca 0.35 -0.78 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 1qo6 n GLU 73 Cb 0.87 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 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 0.89 0.31 3.03 0.62 0.00 -1.26 -5.01 105.19 103.77 1qo6 n GLY 74 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.53 1.18 -0.08 1.61 1.70 -1.24 -5.01 118.95 115.58 1qo6 s ARG 75 Ca 0.00 -0.38 0.11 0.00 -0.47 0.00 0.00 55.73 54.99 1qo6 s ARG 75 Cb 0.00 -1.07 0.45 0.00 -0.57 0.00 0.00 34.95 33.76 1qo6 s ARG 75 CO 0.00 0.14 1.29 1.04 -1.08 0.00 0.00 175.30 176.69 1qo6 n GLN 76 N 3.29 2.76 -0.03 3.89 6.02 -1.26 -4.11 117.38 127.93 1qo6 n GLN 76 Ca -0.18 -1.78 -0.21 0.00 -0.01 0.00 0.00 57.00 54.82 1qo6 n GLN 76 Cb 0.54 -1.68 -0.13 0.00 1.02 0.00 0.00 30.24 29.98 1qo6 n GLN 76 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1qo6 h ASP 77 N 2.53 0.24 0.00 1.08 3.04 -1.95 -3.49 116.42 117.86 1qo6 h ASP 77 Ca 0.00 -0.78 0.00 0.00 -3.24 0.00 0.00 57.03 53.01 1qo6 h ASP 77 Cb 1.03 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.25 1qo6 h ASP 77 CO 0.16 1.53 0.00 0.61 -2.04 0.00 0.00 179.24 179.50 1qo6 n GLY 78 N 1.66 2.00 3.28 7.15 0.00 -1.26 -5.12 105.19 112.89 1qo6 n GLY 78 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 2.99 0.39 1.61 3.76 -1.26 -5.09 115.29 115.69 1qo6 s HIS 79 Ca 0.00 -1.12 -0.27 0.00 -0.15 0.00 0.00 55.06 53.52 1qo6 s HIS 79 Cb 0.00 -2.10 -0.10 0.00 1.11 0.00 0.00 32.58 31.49 1qo6 s HIS 79 CO 0.00 -0.61 1.39 -0.51 -0.85 0.00 0.00 174.74 174.16 1qo6 s LEU 80 N 1.44 4.27 -0.07 0.89 1.02 -1.25 -4.62 118.68 120.35 1qo6 s LEU 80 Ca 0.04 2.85 -0.07 0.00 0.02 0.00 0.00 54.13 56.96 1qo6 s LEU 80 Cb -0.15 -3.79 0.02 0.00 0.02 0.00 0.00 46.19 42.29 1qo6 s LEU 80 CO -0.03 -0.87 0.20 -1.66 0.02 0.00 0.00 176.35 174.01 1qo6 s TRP 81 N -1.18 -0.19 0.31 0.29 1.48 -0.39 -0.01 118.94 119.24 1qo6 s TRP 81 Ca 0.55 0.47 0.09 0.00 -1.06 0.00 0.00 56.10 56.15 1qo6 s TRP 81 Cb -0.42 0.06 -0.06 0.00 -1.16 0.00 0.00 33.47 31.89 1qo6 s TRP 81 CO 0.56 -0.13 -0.11 0.00 -4.06 0.00 0.00 176.95 173.21 1qo6 s SER 83 N -3.53 6.81 -0.04 0.00 0.15 -1.26 0.95 113.70 116.77 1qo6 s SER 83 Ca 0.31 1.04 0.07 0.00 0.70 0.00 0.00 55.95 58.06 1qo6 s SER 83 Cb 0.01 -2.27 -0.10 0.00 -1.71 0.00 0.00 66.02 61.95 1qo6 s SER 83 CO 0.15 0.13 0.09 0.35 1.20 0.00 0.00 173.24 175.15 1qo6 n THR 84 N 0.89 0.24 -4.03 6.45 -2.24 -0.72 0.26 114.28 115.13 1qo6 n THR 84 Ca -0.06 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 1qo6 n THR 84 Cb 0.52 -0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 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 2.55 0.56 4.28 2.01 -1.24 -4.35 115.64 117.12 1qo6 s THR 85 Ca -0.03 -1.01 0.46 0.00 0.31 0.00 0.00 61.69 61.42 1qo6 s THR 85 Cb 0.03 -2.23 0.68 0.00 0.01 0.00 0.00 72.50 71.00 1qo6 s THR 85 CO 0.29 0.32 1.61 0.28 -0.69 0.00 0.00 174.62 176.43 1qo6 h SER 86 N 7.97 0.00 -1.51 3.53 0.02 -1.93 0.15 113.55 121.78 1qo6 h SER 86 Ca -0.37 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.92 1qo6 h SER 86 Cb 1.12 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.45 1qo6 h SER 86 CO 0.59 0.00 1.07 -3.20 -1.14 0.00 0.00 176.83 174.15 1qo6 n ASN 87 N -3.94 7.21 0.27 3.07 5.15 -1.26 -4.59 115.26 121.16 1qo6 n ASN 87 Ca 0.39 -3.44 0.16 0.00 -0.60 0.00 0.00 54.58 51.10 1qo6 n ASN 87 Cb 1.83 -1.21 0.62 0.00 -0.53 0.00 0.00 39.78 40.49 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 3.50 0.00 0.00 1.20 5.03 -1.01 1.45 116.97 127.14 1qo6 h TYR 88 Ca 0.52 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.83 1qo6 h TYR 88 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1qo6 h TYR 88 CO 1.40 0.03 0.00 0.93 -1.32 0.00 0.00 178.16 179.20 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.86 0.14 114.58 119.76 1qo6 h GLU 89 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qo6 h GLU 89 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1qo6 h GLU 89 CO 0.00 0.00 -0.92 1.04 -1.00 0.00 0.00 179.01 178.14 1qo6 n GLN 90 N -3.01 0.94 0.03 2.33 6.02 -0.87 -4.76 117.38 118.05 1qo6 n GLN 90 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1qo6 n GLN 90 Cb 0.31 -0.96 -0.14 0.00 1.02 0.00 0.00 30.24 30.48 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1qo6 h ASP 91 N 0.00 0.19 -3.58 1.08 3.32 0.19 -3.48 116.42 114.14 1qo6 h ASP 91 Ca 0.00 -0.30 -0.41 0.00 0.02 0.00 0.00 57.03 56.34 1qo6 h ASP 91 Cb 0.92 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.42 1qo6 h ASP 91 CO 0.00 1.25 -0.56 0.00 -1.72 0.00 0.00 179.24 178.21 1qo6 n GLN 92 N -3.29 -2.93 -2.80 3.56 6.02 0.48 -4.93 117.38 113.49 1qo6 n GLN 92 Ca -0.15 0.97 -0.43 0.00 -0.01 0.00 0.00 57.00 57.39 1qo6 n GLN 92 Cb 1.03 -5.72 -0.04 0.00 1.02 0.00 0.00 30.24 26.53 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qo6 s LYS 93 N -5.30 3.83 0.07 -1.09 3.01 -1.26 -4.99 119.74 114.01 1qo6 s LYS 93 Ca 0.12 0.58 0.01 0.00 -1.01 0.00 0.00 55.97 55.66 1qo6 s LYS 93 Cb -0.05 -3.81 -0.04 0.00 -1.01 0.00 0.00 37.83 32.92 1qo6 s LYS 93 CO 0.15 -0.97 -0.05 1.52 0.51 0.00 0.00 175.35 176.51 1qo6 s TYR 94 N 3.52 0.68 0.37 3.18 -0.85 -1.26 -1.76 117.35 121.24 1qo6 s TYR 94 Ca 0.39 -0.93 0.02 0.00 -0.52 0.00 0.00 57.07 56.02 1qo6 s TYR 94 Cb -0.12 -0.44 -0.01 0.00 0.38 0.00 0.00 41.96 41.78 1qo6 s TYR 94 CO 0.19 -0.24 0.07 0.43 -1.52 0.00 0.00 175.55 174.48 1qo6 n SER 95 N 0.21 1.98 -4.91 -0.18 7.64 0.27 -0.19 113.62 118.44 1qo6 n SER 95 Ca -0.14 -2.83 -0.25 0.00 1.01 0.00 0.00 58.87 56.66 1qo6 n SER 95 Cb 0.60 0.64 -0.00 0.00 -1.01 0.00 0.00 64.21 64.44 1qo6 n SER 95 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1qo6 s PHE 96 N -2.71 1.70 -0.20 1.43 0.08 -1.16 -1.12 117.98 116.01 1qo6 s PHE 96 Ca 0.10 -0.80 -0.15 0.00 0.12 0.00 0.00 56.93 56.20 1qo6 s PHE 96 Cb 0.01 -1.96 0.06 0.00 -0.57 0.00 0.00 43.02 40.55 1qo6 s PHE 96 CO 0.07 -0.50 0.52 0.00 -0.10 0.00 0.00 175.22 175.21 1qo6 n THR 98 N 3.55 0.00 0.00 0.00 -2.24 -1.26 -3.88 114.28 110.45 1qo6 n THR 98 Ca -0.18 0.64 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1qo6 n THR 98 Cb 0.56 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qo6 n ASP 99 N -0.91 0.00 -4.84 3.42 -0.08 -1.26 -4.85 116.55 108.03 1qo6 n ASP 99 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 1qo6 n ASP 99 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 1qo6 n ASP 99 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1qo6 s HIS 100 N 0.00 3.30 0.00 -0.67 3.76 -1.26 -5.19 115.29 115.23 1qo6 s HIS 100 Ca 0.00 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.29 1qo6 s HIS 100 Cb 0.00 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.87 1qo6 s HIS 100 CO 0.00 -1.01 0.00 -2.37 -0.85 0.00 0.00 174.74 170.51