#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 0.71 1.69 2.72 0.00 -1.26 -4.87 105.19 104.18 1qo6 n GLY 2 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1qo6 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qo6 n HIS 3 N 0.00 -4.30 -4.27 1.61 -0.00 -1.26 -5.02 115.22 101.98 1qo6 n HIS 3 Ca 0.00 2.29 -0.30 0.00 -0.00 0.00 0.00 57.72 59.72 1qo6 n HIS 3 Cb 0.00 -3.45 -0.11 0.00 -0.00 0.00 0.00 29.99 26.43 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qo6 s VAL 5 N -1.18 -0.13 0.07 0.00 1.01 -1.26 0.26 120.40 119.17 1qo6 s VAL 5 Ca 0.20 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1qo6 s VAL 5 Cb -0.11 -0.33 -0.14 0.00 0.00 0.00 0.00 36.38 35.80 1qo6 s VAL 5 CO 0.12 0.09 1.46 0.71 0.00 0.00 0.00 175.10 177.48 1qo6 h THR 6 N 6.08 0.00 0.00 3.92 1.35 -1.94 -3.47 112.91 118.84 1qo6 h THR 6 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1qo6 h THR 6 Cb 1.14 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1qo6 h THR 6 CO 0.32 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.92 1qo6 n ASP 7 N -4.99 0.00 0.19 5.36 2.03 -1.26 -4.97 116.55 112.90 1qo6 n ASP 7 Ca -0.10 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.33 1qo6 n ASP 7 Cb 0.39 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.95 1qo6 n ASP 7 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1qo6 h SER 8 N 0.05 0.00 0.00 1.67 0.02 -2.04 -3.46 113.55 109.78 1qo6 h SER 8 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 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 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1qo6 n GLY 9 N 1.14 1.00 3.32 -3.77 0.00 -1.26 -5.13 105.19 100.49 1qo6 n GLY 9 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1qo6 n GLY 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qo6 n VAL 10 N 0.00 0.00 -3.71 1.61 0.31 -1.26 -4.97 118.33 110.31 1qo6 n VAL 10 Ca 0.00 -0.26 -0.28 0.00 -0.01 0.00 0.00 64.34 63.79 1qo6 n VAL 10 Cb 0.00 -0.48 -0.12 0.00 -0.91 0.00 0.00 33.84 32.33 1qo6 n VAL 10 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1qo6 s VAL 11 N -2.31 1.71 0.53 2.52 1.01 -1.26 -4.30 120.40 118.30 1qo6 s VAL 11 Ca 0.53 -3.23 -0.06 0.00 0.00 0.00 0.00 61.98 59.22 1qo6 s VAL 11 Cb -0.20 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1qo6 s VAL 11 CO 0.71 -1.02 0.86 -0.31 0.00 0.00 0.00 175.10 175.34 1qo6 s TYR 12 N -0.39 3.50 -0.07 5.22 2.02 0.72 -4.89 117.35 123.46 1qo6 s TYR 12 Ca 0.24 0.86 -0.03 0.00 -0.37 0.00 0.00 57.07 57.77 1qo6 s TYR 12 Cb -0.10 -2.48 0.04 0.00 -0.40 0.00 0.00 41.96 39.02 1qo6 s TYR 12 CO -0.11 -0.48 0.12 -1.12 -1.57 0.00 0.00 175.55 172.39 1qo6 s SER 13 N -4.17 0.64 -0.24 2.29 0.01 -1.26 0.20 113.70 111.17 1qo6 s SER 13 Ca 0.50 0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.99 1qo6 s SER 13 Cb -0.10 0.14 -0.08 0.00 0.21 0.00 0.00 66.02 66.18 1qo6 s SER 13 CO 0.47 -0.22 0.66 0.55 0.41 0.00 0.00 173.24 175.10 1qo6 n VAL 14 N 5.04 0.00 0.00 3.43 3.14 -1.26 -1.39 118.33 127.29 1qo6 n VAL 14 Ca -0.10 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1qo6 n VAL 14 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 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 1.96 1.15 1.96 7.55 0.00 -0.71 -4.95 105.19 112.14 1qo6 n GLY 15 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1qo6 n MET 16 N 0.00 2.90 0.00 1.61 0.00 -0.49 -5.05 117.12 116.09 1qo6 n MET 16 Ca 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 57.70 53.83 1qo6 n MET 16 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.22 1qo6 n MET 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1qo6 n GLN 17 N -0.70 0.00 -2.34 2.12 6.02 -1.26 -4.92 117.38 116.29 1qo6 n GLN 17 Ca 0.33 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.28 1qo6 n GLN 17 Cb 0.91 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.16 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 0.00 -0.31 -3.72 1.08 2.14 -0.93 -5.05 117.44 110.66 1qo6 n TRP 18 Ca 0.00 -0.55 -0.20 0.00 2.07 0.00 0.00 57.50 58.81 1qo6 n TRP 18 Cb 0.00 0.08 -0.18 0.00 -0.81 0.00 0.00 31.31 30.40 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 0.37 0.00 5.67 2.96 -1.26 -2.06 118.68 124.36 1qo6 s LEU 19 Ca 0.08 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1qo6 s LEU 19 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 46.19 46.46 1qo6 s LEU 19 CO 0.05 -0.22 0.00 2.29 -1.32 0.00 0.00 176.35 177.15 1qo6 n LYS 20 N 5.14 3.08 -3.55 1.98 -0.00 0.11 -4.89 118.16 120.03 1qo6 n LYS 20 Ca -0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.11 1qo6 n LYS 20 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.49 1qo6 n LYS 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1qo6 s THR 21 N 1.42 0.03 -1.36 0.58 2.01 -1.26 -2.27 115.64 114.79 1qo6 s THR 21 Ca 0.00 -0.23 0.19 0.00 0.31 0.00 0.00 61.69 61.96 1qo6 s THR 21 Cb 0.00 -1.01 0.65 0.00 0.01 0.00 0.00 72.50 72.15 1qo6 s THR 21 CO 0.00 -0.13 1.56 0.00 -0.69 0.00 0.00 174.62 175.36 1qo6 n GLN 22 N 0.14 3.29 0.00 4.92 6.02 -0.65 -4.91 117.38 126.19 1qo6 n GLN 22 Ca -0.18 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.07 1qo6 n GLN 22 Cb 0.62 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 1.19 2.12 0.00 1.08 0.00 -1.26 -4.66 105.19 103.67 1qo6 n GLY 23 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1qo6 n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 24 N 0.00 0.47 -4.49 1.61 2.85 -1.26 -5.11 115.26 109.33 1qo6 n ASN 24 Ca 0.00 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.23 1qo6 n ASN 24 Cb 0.00 0.01 -0.10 0.00 1.24 0.00 0.00 39.78 40.93 1qo6 n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1qo6 s LYS 25 N -1.11 1.74 0.12 1.20 3.01 -1.26 -5.07 119.74 118.36 1qo6 s LYS 25 Ca 0.00 -1.72 -0.12 0.00 -1.01 0.00 0.00 55.97 53.12 1qo6 s LYS 25 Cb 0.00 -1.82 -0.06 0.00 -1.01 0.00 0.00 37.83 34.94 1qo6 s LYS 25 CO 0.00 0.34 0.48 -0.65 0.51 0.00 0.00 175.35 176.03 1qo6 s GLN 26 N -3.49 3.88 -0.19 1.68 -0.21 0.17 -1.63 119.66 119.87 1qo6 s GLN 26 Ca 0.30 0.35 -0.09 0.00 0.02 0.00 0.00 55.36 55.94 1qo6 s GLN 26 Cb -0.05 -2.96 0.07 0.00 1.00 0.00 0.00 33.01 31.07 1qo6 s GLN 26 CO 0.15 0.51 0.43 1.41 -2.12 0.00 0.00 175.29 175.68 1qo6 s MET 27 N -1.95 0.39 -0.04 2.91 1.75 -0.96 0.07 119.30 121.48 1qo6 s MET 27 Ca 0.36 0.91 -0.26 0.00 -1.25 0.00 0.00 55.69 55.45 1qo6 s MET 27 Cb -0.14 0.12 -0.03 0.00 2.84 0.00 0.00 34.83 37.61 1qo6 s MET 27 CO 0.19 -0.19 0.82 -1.17 -0.65 0.00 0.00 175.02 174.01 1qo6 s LEU 28 N 1.84 4.34 -0.03 4.11 2.96 -0.27 0.04 118.68 131.68 1qo6 s LEU 28 Ca -0.07 1.39 0.05 0.00 -0.22 0.00 0.00 54.13 55.28 1qo6 s LEU 28 Cb -0.09 -3.29 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 1qo6 s LEU 28 CO -0.13 -0.17 -0.17 0.00 -1.32 0.00 0.00 176.35 174.56 1qo6 s THR 30 N -0.22 1.69 -0.49 0.00 2.01 0.47 -2.18 115.64 116.92 1qo6 s THR 30 Ca 0.02 -2.18 -0.02 0.00 0.31 0.00 0.00 61.69 59.83 1qo6 s THR 30 Cb -0.09 -2.20 0.13 0.00 0.01 0.00 0.00 72.50 70.36 1qo6 s THR 30 CO 0.00 -0.48 0.28 0.00 -0.69 0.00 0.00 174.62 173.74 1qo6 n LEU 32 N 4.02 0.00 0.00 0.00 -0.00 -1.25 -1.75 117.00 118.02 1qo6 n LEU 32 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1qo6 n LEU 32 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 1qo6 n LEU 32 CO 0.32 0.00 -0.02 0.61 -0.00 0.00 0.00 177.39 178.30 1qo6 n GLY 33 N 4.36 0.00 0.06 1.47 0.00 -1.26 -4.69 105.19 105.12 1qo6 n GLY 33 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.46 0.60 0.00 1.61 6.94 -1.26 -5.00 115.26 117.69 1qo6 n ASN 34 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 1qo6 n ASN 34 Cb 0.02 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 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 1.38 -0.88 3.29 4.83 0.00 -1.26 -5.11 105.19 107.44 1qo6 n GLY 35 Ca 0.05 0.40 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 -0.90 0.35 1.61 1.01 -1.26 -3.79 120.40 117.42 1qo6 s VAL 36 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1qo6 s VAL 36 Cb 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1qo6 s VAL 36 CO 0.00 -0.01 0.34 -0.55 0.00 0.00 0.00 175.10 174.88 1qo6 s SER 37 N 2.79 5.37 -0.23 3.32 0.15 -0.13 -4.90 113.70 120.07 1qo6 s SER 37 Ca 0.08 -0.48 -0.19 0.00 0.70 0.00 0.00 55.95 56.05 1qo6 s SER 37 Cb -0.14 -0.94 0.06 0.00 -1.71 0.00 0.00 66.02 63.29 1qo6 s SER 37 CO -0.19 -0.42 0.61 0.00 1.20 0.00 0.00 173.24 174.44 1qo6 s GLN 39 N 0.62 4.11 -0.17 0.00 0.74 0.46 -4.87 119.66 120.56 1qo6 s GLN 39 Ca -0.02 -0.26 -0.29 0.00 0.05 0.00 0.00 55.36 54.84 1qo6 s GLN 39 Cb -0.05 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 1qo6 s GLN 39 CO -0.04 0.26 2.06 -1.83 -0.55 0.00 0.00 175.29 175.20 1qo6 s GLU 40 N 0.45 3.46 -0.14 1.67 -1.05 -1.26 -1.11 118.70 120.71 1qo6 s GLU 40 Ca 0.07 2.08 0.10 0.00 -0.15 0.00 0.00 54.97 57.07 1qo6 s GLU 40 Cb -0.12 -4.27 -0.23 0.00 -0.44 0.00 0.00 34.13 29.07 1qo6 s GLU 40 CO -0.01 -1.73 0.28 -2.37 0.95 0.00 0.00 175.26 172.39 1qo6 n THR 41 N 7.05 1.54 0.00 1.83 5.66 -0.98 -4.92 114.28 124.46 1qo6 n THR 41 Ca 0.26 -0.77 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1qo6 n THR 41 Cb 0.44 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 68.23 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 -2.79 0.00 0.00 1.79 0.00 0.11 -4.73 120.51 114.89 1qo6 n ALA 42 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1qo6 n ALA 42 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.53 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qo6 n VAL 43 N 0.00 0.00 0.00 0.00 0.24 -1.26 0.42 118.33 117.73 1qo6 n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1qo6 n VAL 43 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1qo6 n THR 44 N 0.00 0.00 -3.00 3.34 -2.24 -1.26 -4.86 114.28 106.25 1qo6 n THR 44 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1qo6 n THR 44 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1qo6 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n GLN 45 N -0.20 3.66 -2.22 -0.78 1.13 -1.26 -5.06 117.38 112.65 1qo6 n GLN 45 Ca 0.00 -4.75 -0.40 0.00 -1.94 0.00 0.00 57.00 49.91 1qo6 n GLN 45 Cb 0.00 -2.32 -0.02 0.00 0.11 0.00 0.00 30.24 28.00 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1qo6 s THR 46 N -3.77 2.96 -0.03 5.09 -4.23 -1.25 -2.89 115.64 111.51 1qo6 s THR 46 Ca 0.43 0.93 0.01 0.00 -1.18 0.00 0.00 61.69 61.88 1qo6 s THR 46 Cb 0.20 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 1qo6 s THR 46 CO -0.08 0.19 -0.01 0.00 -0.54 0.00 0.00 174.62 174.18 1qo6 n TYR 47 N 0.71 0.00 0.00 3.99 0.18 -1.26 -4.71 117.16 116.07 1qo6 n TYR 47 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 1qo6 n TYR 47 Cb 0.43 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.25 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 3.08 0.93 7.00 -7.48 0.00 -1.26 -4.32 105.19 103.15 1qo6 n GLY 48 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.20 0.00 -0.02 0.00 -1.26 0.25 105.19 102.95 1qo6 n GLY 49 Ca 0.00 -1.15 0.06 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.45 0.00 -0.00 1.61 4.13 0.11 -1.77 115.26 117.89 1qo6 n ASN 50 Ca 0.00 0.22 0.05 0.00 1.68 0.00 0.00 54.58 56.53 1qo6 n ASN 50 Cb 0.00 -0.35 -0.07 0.00 -1.54 0.00 0.00 39.78 37.83 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qo6 n SER 51 N -1.35 1.28 -0.21 6.41 7.64 0.59 -4.47 113.62 123.51 1qo6 n SER 51 Ca 0.05 -0.46 -0.03 0.00 1.01 0.00 0.00 58.87 59.44 1qo6 n SER 51 Cb 0.12 1.18 -0.01 0.00 -1.01 0.00 0.00 64.21 64.48 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 -1.47 -4.53 0.00 6.43 5.15 0.68 -2.36 115.26 119.16 1qo6 n ASN 52 Ca 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1qo6 n ASN 52 Cb 0.20 -2.27 0.00 0.00 -0.53 0.00 0.00 39.78 37.18 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 -1.06 1.27 3.18 8.20 0.00 0.73 -4.06 105.19 113.46 1qo6 n GLY 53 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1qo6 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qo6 n GLU 54 N -0.37 -0.43 -1.45 1.61 1.02 -1.00 -4.72 120.64 115.31 1qo6 n GLU 54 Ca 0.00 -0.11 -0.34 0.00 -0.02 0.00 0.00 57.16 56.69 1qo6 n GLU 54 Cb 0.00 -1.40 0.09 0.00 -0.02 0.00 0.00 31.44 30.11 1qo6 n GLU 54 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1qo6 s PRO 55 N -2.78 2.17 0.14 3.49 0.02 -1.26 -4.89 135.00 131.88 1qo6 s PRO 55 Ca 0.47 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1qo6 s PRO 55 Cb -0.12 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.59 1qo6 s PRO 55 CO 0.72 -1.81 0.19 0.00 -0.33 0.00 0.00 177.00 175.76 1qo6 n VAL 57 N -1.58 0.22 -3.59 0.00 3.14 0.70 -4.71 118.33 112.52 1qo6 n VAL 57 Ca 0.03 -3.22 -0.20 0.00 -2.96 0.00 0.00 64.34 58.00 1qo6 n VAL 57 Cb 0.12 0.47 -0.01 0.00 -1.06 0.00 0.00 33.84 33.36 1qo6 n VAL 57 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1qo6 s LEU 58 N -2.70 3.97 0.03 6.55 -0.00 -1.26 -3.88 118.68 121.39 1qo6 s LEU 58 Ca 0.31 -0.20 -0.30 0.00 -0.00 0.00 0.00 54.13 53.94 1qo6 s LEU 58 Cb 0.38 -2.69 -0.05 0.00 -0.00 0.00 0.00 46.19 43.83 1qo6 s LEU 58 CO -0.04 -0.37 1.26 -2.16 -0.00 0.00 0.00 176.35 175.04 1qo6 s PRO 59 N -4.12 4.37 0.52 1.48 0.04 -1.26 -5.03 135.00 131.00 1qo6 s PRO 59 Ca 0.43 1.82 0.07 0.00 0.04 0.00 0.00 61.00 63.35 1qo6 s PRO 59 Cb -0.09 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 31.05 1qo6 s PRO 59 CO 0.30 -0.38 0.44 -0.59 0.04 0.00 0.00 177.00 176.81 1qo6 s PHE 60 N 1.60 1.86 -0.19 0.56 -0.12 -0.85 -4.87 117.98 115.97 1qo6 s PHE 60 Ca 0.60 -0.74 -0.01 0.00 -0.05 0.00 0.00 56.93 56.73 1qo6 s PHE 60 Cb -0.30 -2.01 0.01 0.00 -0.63 0.00 0.00 43.02 40.09 1qo6 s PHE 60 CO 0.27 -0.47 -0.14 0.99 -0.05 0.00 0.00 175.22 175.82 1qo6 s THR 61 N -2.69 2.52 -0.04 -4.49 2.01 -1.26 -1.62 115.64 110.07 1qo6 s THR 61 Ca 0.41 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1qo6 s THR 61 Cb -0.03 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.40 1qo6 s THR 61 CO 0.25 0.49 -0.05 -0.47 -0.69 0.00 0.00 174.62 174.15 1qo6 s TYR 62 N 1.36 0.77 0.00 4.92 5.04 -0.69 -4.75 117.35 124.00 1qo6 s TYR 62 Ca 0.05 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 1qo6 s TYR 62 Cb -0.13 -0.65 0.00 0.00 0.35 0.00 0.00 41.96 41.53 1qo6 s TYR 62 CO -0.10 -0.16 0.00 -1.71 -1.34 0.00 0.00 175.55 172.24 1qo6 n ASN 63 N 3.85 -2.91 0.00 4.32 2.85 -1.26 -2.01 115.26 120.10 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 0.52 -1.87 0.00 0.00 1.24 0.00 0.00 39.78 39.67 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 -1.24 1.76 0.00 8.20 0.00 -1.26 -5.07 105.19 107.57 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 -1.23 2.15 -4.08 1.61 1.85 -0.85 -5.08 116.66 111.03 1qo6 n ARG 65 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 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 1.33 0.63 -0.02 8.89 2.01 -1.26 -1.70 115.64 125.52 1qo6 s THR 66 Ca 0.00 -1.15 -0.00 0.00 0.31 0.00 0.00 61.69 60.85 1qo6 s THR 66 Cb 0.00 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.82 1qo6 s THR 66 CO 0.00 -0.38 0.04 -0.36 -0.69 0.00 0.00 174.62 173.23 1qo6 s PHE 67 N -1.44 -0.00 -1.48 4.92 0.40 -0.64 -4.95 117.98 114.78 1qo6 s PHE 67 Ca -0.08 0.14 0.17 0.00 -0.60 0.00 0.00 56.93 56.56 1qo6 s PHE 67 Cb -0.09 -0.15 0.61 0.00 0.51 0.00 0.00 43.02 43.90 1qo6 s PHE 67 CO 0.01 -0.07 1.51 0.66 0.70 0.00 0.00 175.22 178.02 1qo6 n TYR 68 N 3.85 1.16 -3.86 0.36 4.02 -1.26 -2.01 117.16 119.42 1qo6 n TYR 68 Ca -0.23 -0.49 -0.03 0.00 -0.01 0.00 0.00 57.90 57.14 1qo6 n TYR 68 Cb 0.53 -0.14 0.01 0.00 -0.02 0.00 0.00 39.34 39.72 1qo6 n TYR 68 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1qo6 s SER 69 N -0.90 -0.03 1.06 7.72 0.01 -1.26 -4.82 113.70 115.49 1qo6 s SER 69 Ca 0.44 -0.59 -0.17 0.00 1.31 0.00 0.00 55.95 56.95 1qo6 s SER 69 Cb 0.27 0.47 0.07 0.00 0.21 0.00 0.00 66.02 67.04 1qo6 s SER 69 CO 0.24 -0.92 0.11 0.00 0.41 0.00 0.00 173.24 173.09 1qo6 s THR 71 N -2.29 0.00 -0.49 0.00 -1.32 -0.13 -4.81 115.64 106.60 1qo6 s THR 71 Ca 0.56 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.61 1qo6 s THR 71 Cb -0.15 -2.06 0.35 0.00 -1.51 0.00 0.00 72.50 69.13 1qo6 s THR 71 CO 0.67 0.00 0.87 0.35 -2.21 0.00 0.00 174.62 174.30 1qo6 n THR 72 N -0.50 1.75 0.14 5.08 -2.24 -1.26 -0.66 114.28 116.59 1qo6 n THR 72 Ca -0.07 -5.14 0.08 0.00 -2.27 0.00 0.00 64.05 56.65 1qo6 n THR 72 Cb 0.61 -0.91 0.14 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.04 2.07 -0.00 -0.78 1.02 -1.26 -4.43 120.64 117.21 1qo6 n GLU 73 Ca 0.28 -1.88 0.02 0.00 -0.02 0.00 0.00 57.16 55.57 1qo6 n GLU 73 Cb 0.51 -1.33 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 1qo6 n GLU 73 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qo6 n GLY 74 N 0.87 0.27 3.61 0.62 0.00 -1.26 -5.03 105.19 104.27 1qo6 n GLY 74 Ca 0.13 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.77 1.99 0.00 1.61 3.03 -1.26 -5.04 118.95 117.51 1qo6 s ARG 75 Ca 0.00 -1.88 0.08 0.00 2.03 0.00 0.00 55.73 55.96 1qo6 s ARG 75 Cb 0.02 -1.82 0.19 0.00 -1.03 0.00 0.00 34.95 32.32 1qo6 s ARG 75 CO 0.14 0.09 1.11 0.00 -1.13 0.00 0.00 175.30 175.50 1qo6 n GLN 76 N -0.93 2.41 -0.06 3.89 10.64 -1.26 -4.69 117.38 127.38 1qo6 n GLN 76 Ca -0.04 -1.73 -0.05 0.00 -1.83 0.00 0.00 57.00 53.35 1qo6 n GLN 76 Cb 0.64 -1.19 -0.02 0.00 -0.86 0.00 0.00 30.24 28.81 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 0.27 1.54 0.00 2.61 2.03 -1.26 -5.05 116.55 116.69 1qo6 n ASP 77 Ca 0.08 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.89 1qo6 n ASP 77 Cb 0.35 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qo6 n GLY 78 N 1.60 0.31 3.45 0.27 0.00 -1.26 -5.14 105.19 104.41 1qo6 n GLY 78 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.43 3.08 0.29 1.61 3.76 -1.26 -5.04 115.29 117.31 1qo6 s HIS 79 Ca 0.00 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.20 1qo6 s HIS 79 Cb 0.00 -2.22 -0.10 0.00 1.11 0.00 0.00 32.58 31.37 1qo6 s HIS 79 CO 0.00 -0.34 1.29 -0.51 -0.85 0.00 0.00 174.74 174.34 1qo6 s LEU 80 N 1.53 4.44 0.17 0.89 1.02 -1.26 -4.50 118.68 120.97 1qo6 s LEU 80 Ca 0.06 2.58 -0.04 0.00 0.02 0.00 0.00 54.13 56.75 1qo6 s LEU 80 Cb -0.15 -3.64 -0.03 0.00 0.02 0.00 0.00 46.19 42.40 1qo6 s LEU 80 CO 0.03 -0.50 0.18 -1.66 0.02 0.00 0.00 176.35 174.43 1qo6 s TRP 81 N -0.81 0.78 0.18 0.29 1.48 0.16 0.29 118.94 121.31 1qo6 s TRP 81 Ca 0.51 -1.10 -0.04 0.00 -1.06 0.00 0.00 56.10 54.40 1qo6 s TRP 81 Cb -0.38 -0.32 -0.03 0.00 -1.16 0.00 0.00 33.47 31.57 1qo6 s TRP 81 CO 0.48 -0.66 0.19 0.00 -4.06 0.00 0.00 176.95 172.90 1qo6 s SER 83 N -3.07 4.81 0.00 0.00 0.15 -1.26 -0.78 113.70 113.54 1qo6 s SER 83 Ca 0.29 -0.25 0.20 0.00 0.70 0.00 0.00 55.95 56.89 1qo6 s SER 83 Cb 0.05 -1.84 0.91 0.00 -1.71 0.00 0.00 66.02 63.43 1qo6 s SER 83 CO 0.07 0.01 1.62 0.35 1.20 0.00 0.00 173.24 176.49 1qo6 n THR 84 N 4.62 0.12 -3.69 6.45 -2.24 -0.57 0.25 114.28 119.22 1qo6 n THR 84 Ca -0.17 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1qo6 n THR 84 Cb 0.51 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 1qo6 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qo6 s THR 85 N -1.88 -0.19 0.34 4.28 2.01 -1.26 -4.61 115.64 114.34 1qo6 s THR 85 Ca 0.31 0.15 0.12 0.00 0.31 0.00 0.00 61.69 62.58 1qo6 s THR 85 Cb 0.16 -0.54 0.36 0.00 0.01 0.00 0.00 72.50 72.49 1qo6 s THR 85 CO 0.25 0.06 1.60 0.77 -0.69 0.00 0.00 174.62 176.60 1qo6 h SER 86 N 7.48 0.09 -2.15 3.53 4.64 -1.85 -1.59 113.55 123.69 1qo6 h SER 86 Ca -0.31 0.25 -0.79 0.00 -0.47 0.00 0.00 61.79 60.47 1qo6 h SER 86 Cb 1.15 0.31 -0.22 0.00 -0.31 0.00 0.00 62.40 63.33 1qo6 h SER 86 CO 0.26 -0.34 1.39 -3.20 -0.87 0.00 0.00 176.83 174.08 1qo6 n ASN 87 N -5.29 6.24 0.23 4.97 5.15 -1.26 -4.71 115.26 120.59 1qo6 n ASN 87 Ca 0.31 -3.32 0.15 0.00 -0.60 0.00 0.00 54.58 51.12 1qo6 n ASN 87 Cb 1.02 -1.34 0.52 0.00 -0.53 0.00 0.00 39.78 39.46 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 5.31 0.00 0.00 1.20 5.03 -1.68 0.11 116.97 126.95 1qo6 h TYR 88 Ca 0.35 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1qo6 h TYR 88 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1qo6 h TYR 88 CO 1.19 0.00 0.00 0.93 -1.32 0.00 0.00 178.16 178.96 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.87 -2.22 114.58 117.39 1qo6 h GLU 89 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1qo6 h GLU 89 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1qo6 h GLU 89 CO 0.00 0.00 -1.09 0.00 -1.00 0.00 0.00 179.01 176.92 1qo6 n GLN 90 N -2.87 0.04 0.24 2.33 10.64 -1.04 -4.82 117.38 121.91 1qo6 n GLN 90 Ca 0.01 0.01 -0.13 0.00 -1.83 0.00 0.00 57.00 55.06 1qo6 n GLN 90 Cb 0.26 -1.01 -0.07 0.00 -0.86 0.00 0.00 30.24 28.56 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1qo6 h ASP 91 N -0.00 -0.56 -0.00 2.61 5.19 -0.87 -3.47 116.42 119.32 1qo6 h ASP 91 Ca -0.03 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1qo6 h ASP 91 Cb 1.05 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 1qo6 h ASP 91 CO -0.01 -0.16 -0.00 1.67 -3.12 0.00 0.00 179.24 177.62 1qo6 n GLN 92 N -5.24 -0.00 -3.05 3.56 -0.06 -0.83 -4.98 117.38 106.78 1qo6 n GLN 92 Ca -0.10 0.42 -0.44 0.00 -2.00 0.00 0.00 57.00 54.88 1qo6 n GLN 92 Cb 0.30 -3.92 0.00 0.00 -4.06 0.00 0.00 30.24 22.56 1qo6 n GLN 92 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1qo6 n LYS 93 N -2.68 3.86 -3.89 3.69 4.01 -1.26 -4.90 118.16 116.99 1qo6 n LYS 93 Ca -0.00 -4.30 -0.21 0.00 -0.51 0.00 0.00 58.31 53.29 1qo6 n LYS 93 Cb 0.08 -2.65 -0.03 0.00 -0.51 0.00 0.00 35.03 31.92 1qo6 n LYS 93 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 1qo6 s TYR 94 N -1.24 3.07 0.09 2.13 -0.85 -1.26 -1.52 117.35 117.77 1qo6 s TYR 94 Ca 0.34 -0.19 0.04 0.00 -0.52 0.00 0.00 57.07 56.74 1qo6 s TYR 94 Cb -0.02 -1.66 -0.03 0.00 0.38 0.00 0.00 41.96 40.63 1qo6 s TYR 94 CO 0.01 0.30 -0.12 -1.54 -1.52 0.00 0.00 175.55 172.68 1qo6 s SER 95 N -3.97 1.53 0.87 -0.18 1.04 0.04 0.22 113.70 113.25 1qo6 s SER 95 Ca 0.38 -0.72 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 1qo6 s SER 95 Cb -0.07 -0.02 0.15 0.00 0.10 0.00 0.00 66.02 66.18 1qo6 s SER 95 CO 0.27 -0.18 0.94 0.49 0.98 0.00 0.00 173.24 175.74 1qo6 n PHE 96 N 0.89 -3.62 -3.59 5.02 3.72 -1.25 0.11 117.46 118.74 1qo6 n PHE 96 Ca -0.18 -1.10 -0.16 0.00 -0.05 0.00 0.00 57.45 55.95 1qo6 n PHE 96 Cb 0.56 -0.71 -0.07 0.00 -0.94 0.00 0.00 39.48 38.32 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 1.30 1.52 0.00 0.00 5.66 -1.14 -4.00 114.28 117.62 1qo6 n THR 98 Ca -0.19 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1qo6 n THR 98 Cb 0.57 -1.87 0.00 0.00 -1.55 0.00 0.00 70.33 67.48 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 -4.22 0.00 -3.12 1.09 -0.08 -1.26 -4.78 116.55 104.17 1qo6 n ASP 99 Ca -0.54 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.74 1qo6 n ASP 99 Cb 0.89 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.35 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1qo6 n HIS 100 N 0.00 -1.90 -0.15 -0.67 8.25 -1.26 -5.09 115.22 114.40 1qo6 n HIS 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qo6 n HIS 100 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23