#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 s GLY 2 N 0.00 1.87 -0.15 2.98 0.00 -1.26 -5.00 107.32 105.75 1qo6 s GLY 2 Ca 0.00 -2.53 0.01 0.00 0.00 0.00 0.00 44.72 42.20 1qo6 s GLY 2 CO 0.00 1.83 -0.17 0.30 0.00 0.00 0.00 173.10 175.07 1qo6 s HIS 3 N 2.67 2.75 -0.22 1.90 3.76 -1.26 0.17 115.29 125.05 1qo6 s HIS 3 Ca 0.24 -1.10 -0.09 0.00 -0.15 0.00 0.00 55.06 53.96 1qo6 s HIS 3 Cb -0.12 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 1qo6 s HIS 3 CO -0.02 -0.50 0.10 0.00 -0.85 0.00 0.00 174.74 173.47 1qo6 s VAL 5 N 1.00 2.31 0.00 0.00 1.01 -1.26 0.26 120.40 123.72 1qo6 s VAL 5 Ca 0.05 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.79 1qo6 s VAL 5 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1qo6 s VAL 5 CO 0.03 -0.53 0.46 1.07 0.00 0.00 0.00 175.10 176.13 1qo6 n THR 6 N 4.29 0.00 0.00 3.92 5.66 -1.26 -4.70 114.28 122.19 1qo6 n THR 6 Ca 0.01 0.96 0.00 0.00 -3.05 0.00 0.00 64.05 61.97 1qo6 n THR 6 Cb 0.42 -1.59 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 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 -0.79 0.00 -0.77 1.09 8.00 -1.26 -5.02 116.55 117.80 1qo6 n ASP 7 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1qo6 n ASP 7 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qo6 n SER 8 N -0.28 -0.57 0.00 -2.24 3.41 -1.26 -4.98 113.62 107.69 1qo6 n SER 8 Ca 0.00 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1qo6 n SER 8 Cb 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.00 0.00 3.82 5.00 0.00 -1.26 -5.07 105.19 107.68 1qo6 n GLY 9 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.78 4.74 -0.68 1.61 1.01 -1.26 -5.04 120.40 119.00 1qo6 s VAL 10 Ca 0.00 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.13 1qo6 s VAL 10 Cb 0.00 -3.84 0.18 0.00 0.00 0.00 0.00 36.38 32.72 1qo6 s VAL 10 CO 0.00 0.39 0.53 0.52 0.00 0.00 0.00 175.10 176.54 1qo6 n VAL 11 N 1.22 1.59 -0.33 2.92 0.31 -1.26 -3.99 118.33 118.78 1qo6 n VAL 11 Ca -0.07 -4.84 -0.04 0.00 -0.01 0.00 0.00 64.34 59.37 1qo6 n VAL 11 Cb 0.51 -2.14 0.04 0.00 -0.91 0.00 0.00 33.84 31.33 1qo6 n VAL 11 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1qo6 n TYR 12 N 1.81 -2.73 -4.10 3.52 4.01 0.74 -4.75 117.16 115.66 1qo6 n TYR 12 Ca 0.22 -0.12 -0.13 0.00 -0.16 0.00 0.00 57.90 57.71 1qo6 n TYR 12 Cb 0.37 -0.16 -0.11 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.01 1.04 -0.72 7.72 0.01 -1.26 -1.38 113.70 117.08 1qo6 s SER 13 Ca 0.09 -0.68 -0.14 0.00 1.31 0.00 0.00 55.95 56.53 1qo6 s SER 13 Cb -0.01 0.04 -0.19 0.00 0.21 0.00 0.00 66.02 66.07 1qo6 s SER 13 CO 0.07 -0.26 1.94 0.55 0.41 0.00 0.00 173.24 175.96 1qo6 n VAL 14 N 1.04 0.00 0.00 3.43 3.14 0.45 0.06 118.33 126.45 1qo6 n VAL 14 Ca -0.20 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1qo6 n VAL 14 Cb 0.56 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 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 5.71 1.64 0.11 7.55 0.00 -0.72 -5.01 105.19 114.48 1qo6 n GLY 15 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qo6 h MET 16 N 0.00 0.22 -4.34 1.61 2.07 -0.60 -3.50 114.93 110.39 1qo6 h MET 16 Ca 0.00 -0.38 0.00 0.00 -2.07 0.00 0.00 59.70 57.25 1qo6 h MET 16 Cb 0.00 0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1qo6 h MET 16 CO 0.00 1.07 -0.97 1.04 1.07 0.00 0.00 176.91 179.12 1qo6 n GLN 17 N -3.42 -5.61 -4.04 1.72 6.02 -1.26 -5.01 117.38 105.78 1qo6 n GLN 17 Ca -0.16 3.98 -0.14 0.00 -0.01 0.00 0.00 57.00 60.66 1qo6 n GLN 17 Cb 1.04 -4.30 -0.02 0.00 1.02 0.00 0.00 30.24 27.97 1qo6 n GLN 17 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 1qo6 s TRP 18 N -0.85 0.96 0.03 1.08 -2.14 -0.55 -5.04 118.94 112.43 1qo6 s TRP 18 Ca 0.00 -1.27 0.02 0.00 2.66 0.00 0.00 56.10 57.52 1qo6 s TRP 18 Cb 0.00 0.09 -0.02 0.00 -3.10 0.00 0.00 33.47 30.44 1qo6 s TRP 18 CO 0.00 -1.26 -0.08 -1.17 -2.66 0.00 0.00 176.95 171.78 1qo6 s LEU 19 N -3.23 2.17 0.00 -4.66 2.96 -1.26 -1.41 118.68 113.24 1qo6 s LEU 19 Ca 0.28 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 1qo6 s LEU 19 Cb -0.02 -0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.43 1qo6 s LEU 19 CO 0.20 -0.10 0.00 2.29 -1.32 0.00 0.00 176.35 177.43 1qo6 n LYS 20 N 1.97 0.00 -4.61 1.98 2.85 0.48 -4.85 118.16 115.99 1qo6 n LYS 20 Ca -0.19 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.74 1qo6 n LYS 20 Cb 0.56 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.80 1qo6 n LYS 20 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1qo6 s THR 21 N -2.34 3.20 0.00 0.58 -4.23 -1.26 0.27 115.64 111.86 1qo6 s THR 21 Ca 0.00 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1qo6 s THR 21 Cb 0.00 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1qo6 s THR 21 CO 0.00 0.51 0.00 0.00 -0.54 0.00 0.00 174.62 174.59 1qo6 n GLN 22 N 3.69 0.00 0.15 3.99 6.02 -1.26 -4.86 117.38 125.11 1qo6 n GLN 22 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.69 1qo6 n GLN 22 Cb 0.52 -0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.71 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1qo6 h GLY 23 N 0.00 -0.44 0.00 1.08 0.00 -1.89 -3.48 103.07 98.34 1qo6 h GLY 23 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1qo6 h GLY 23 CO 0.00 -0.16 0.00 -2.01 0.00 0.00 0.00 176.54 174.37 1qo6 n ASN 24 N -5.09 0.00 0.08 0.19 5.15 -1.26 -5.03 115.26 109.31 1qo6 n ASN 24 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1qo6 n ASN 24 Cb 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 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 -0.12 0.00 -3.47 1.20 4.76 -1.26 -5.09 118.16 114.19 1qo6 n LYS 25 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1qo6 n LYS 25 Cb 0.00 -0.27 -0.07 0.00 -1.84 0.00 0.00 35.03 32.84 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1qo6 s GLN 26 N -2.00 0.38 0.14 1.97 -1.52 -1.26 -4.76 119.66 112.60 1qo6 s GLN 26 Ca 0.00 0.85 0.07 0.00 -1.95 0.00 0.00 55.36 54.34 1qo6 s GLN 26 Cb 0.00 0.06 -0.04 0.00 -0.22 0.00 0.00 33.01 32.81 1qo6 s GLN 26 CO 0.00 -0.46 -0.07 1.41 -0.25 0.00 0.00 175.29 175.93 1qo6 s MET 27 N 2.64 2.21 -0.21 2.91 -2.45 0.75 -2.70 119.30 122.44 1qo6 s MET 27 Ca 0.07 -1.09 -0.06 0.00 -1.25 0.00 0.00 55.69 53.36 1qo6 s MET 27 Cb -0.14 -2.30 -0.03 0.00 1.25 0.00 0.00 34.83 33.61 1qo6 s MET 27 CO -0.15 0.48 0.03 -1.17 1.05 0.00 0.00 175.02 175.26 1qo6 s LEU 28 N -2.54 3.42 -0.11 4.11 2.96 -0.98 0.18 118.68 125.73 1qo6 s LEU 28 Ca 0.24 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1qo6 s LEU 28 Cb -0.10 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1qo6 s LEU 28 CO 0.16 0.06 -0.01 0.00 -1.32 0.00 0.00 176.35 175.24 1qo6 s THR 30 N -0.51 0.32 -0.33 0.00 2.01 -0.61 -1.48 115.64 115.04 1qo6 s THR 30 Ca 0.09 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1qo6 s THR 30 Cb -0.12 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 72.08 1qo6 s THR 30 CO 0.02 -0.17 0.09 0.00 -0.69 0.00 0.00 174.62 173.88 1qo6 n LEU 32 N 4.81 0.00 0.00 0.00 -0.00 -0.80 -1.75 117.00 119.26 1qo6 n LEU 32 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1qo6 n LEU 32 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1qo6 n LEU 32 CO 0.31 0.00 -0.02 0.61 -0.00 0.00 0.00 177.39 178.29 1qo6 n GLY 33 N 3.32 0.00 0.12 1.47 0.00 -1.26 -4.25 105.19 104.59 1qo6 n GLY 33 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.25 1.75 0.00 1.61 6.94 -1.26 -5.06 115.26 117.99 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 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 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 1.89 3.75 2.99 4.83 0.00 -1.26 -5.15 105.19 112.24 1qo6 n GLY 35 Ca -0.29 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.54 1.53 -0.25 1.61 1.01 -1.26 -1.90 120.40 120.60 1qo6 s VAL 36 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1qo6 s VAL 36 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1qo6 s VAL 36 CO 0.00 0.26 0.02 -0.55 0.00 0.00 0.00 175.10 174.83 1qo6 s SER 37 N 1.47 4.76 0.19 3.32 0.15 0.46 -4.84 113.70 119.21 1qo6 s SER 37 Ca 0.01 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.31 1qo6 s SER 37 Cb -0.15 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1qo6 s SER 37 CO -0.09 -0.07 0.10 0.00 1.20 0.00 0.00 173.24 174.38 1qo6 s GLN 39 N -3.25 0.99 -0.80 0.00 -2.07 0.33 -4.95 119.66 109.92 1qo6 s GLN 39 Ca 0.30 -0.57 -0.14 0.00 -1.82 0.00 0.00 55.36 53.14 1qo6 s GLN 39 Cb -0.09 -2.20 -0.22 0.00 -1.09 0.00 0.00 33.01 29.41 1qo6 s GLN 39 CO 0.22 -0.60 2.04 -0.85 -1.32 0.00 0.00 175.29 174.79 1qo6 n GLU 40 N 4.93 0.16 -0.37 9.60 0.00 -1.26 -2.33 120.64 131.37 1qo6 n GLU 40 Ca -0.10 -0.38 0.30 0.00 0.00 0.00 0.00 57.16 56.97 1qo6 n GLU 40 Cb 0.46 -1.99 0.60 0.00 0.00 0.00 0.00 31.44 30.51 1qo6 n GLU 40 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1qo6 h THR 41 N 7.16 0.38 -6.32 3.84 2.02 -1.86 -3.46 112.91 114.67 1qo6 h THR 41 Ca 0.02 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1qo6 h THR 41 Cb 1.06 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1qo6 h THR 41 CO 1.31 0.04 -0.78 0.00 0.37 0.00 0.00 175.52 176.46 1qo6 n ALA 42 N -2.55 -1.78 -1.00 6.16 0.00 -1.10 -4.91 120.51 115.33 1qo6 n ALA 42 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1qo6 n ALA 42 Cb 1.12 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 1.56 0.00 0.00 0.00 0.24 -1.26 -4.97 118.33 113.89 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 0.39 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1qo6 n VAL 43 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1qo6 n THR 44 N -2.32 0.00 -2.28 3.34 5.66 -1.26 -4.74 114.28 112.67 1qo6 n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 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 0.00 -3.05 0.00 0.00 175.07 172.02 1qo6 n GLN 45 N -0.35 1.00 -4.00 1.09 10.64 -1.26 -4.94 117.38 119.55 1qo6 n GLN 45 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 1qo6 n GLN 45 Cb 0.00 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.28 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1qo6 s THR 46 N 0.60 0.16 -0.26 -0.39 -4.23 -1.25 -3.32 115.64 106.95 1qo6 s THR 46 Ca 0.00 -1.35 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 1qo6 s THR 46 Cb 0.00 -1.07 0.09 0.00 1.34 0.00 0.00 72.50 72.86 1qo6 s THR 46 CO 0.00 -0.75 0.62 -0.72 -0.54 0.00 0.00 174.62 173.23 1qo6 s TYR 47 N -3.04 -1.04 0.00 3.99 -0.85 -1.17 -4.79 117.35 110.46 1qo6 s TYR 47 Ca -0.01 2.00 0.00 0.00 -0.52 0.00 0.00 57.07 58.54 1qo6 s TYR 47 Cb 0.01 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.95 1qo6 s TYR 47 CO -0.07 -0.53 0.00 0.41 -1.52 0.00 0.00 175.55 173.85 1qo6 n GLY 48 N 4.64 2.22 7.00 5.49 0.00 -1.18 -3.80 105.19 119.56 1qo6 n GLY 48 Ca -0.18 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.02 0.00 -0.02 0.00 -1.26 -0.40 105.19 104.53 1qo6 n GLY 49 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 7.33 3.05 -0.37 1.61 2.85 0.49 -4.62 115.26 125.60 1qo6 n ASN 50 Ca 0.00 -0.18 0.08 0.00 -0.11 0.00 0.00 54.58 54.37 1qo6 n ASN 50 Cb 0.00 1.07 0.16 0.00 1.24 0.00 0.00 39.78 42.25 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qo6 n SER 51 N -1.41 2.83 0.00 1.20 2.88 -1.09 -4.81 113.62 113.23 1qo6 n SER 51 Ca -0.00 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 1qo6 n SER 51 Cb 0.05 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 -0.84 -3.50 0.00 -3.46 2.85 -0.48 -2.69 115.26 107.13 1qo6 n ASN 52 Ca 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1qo6 n ASN 52 Cb 0.64 -2.18 0.00 0.00 1.24 0.00 0.00 39.78 39.48 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 -0.89 1.50 3.79 8.20 0.00 0.46 -3.13 105.19 115.12 1qo6 n GLY 53 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.35 2.46 0.45 1.61 0.41 -1.10 -4.70 118.70 117.49 1qo6 s GLU 54 Ca 0.00 0.96 -0.23 0.00 -0.41 0.00 0.00 54.97 55.29 1qo6 s GLU 54 Cb 0.00 -1.94 -0.10 0.00 -1.78 0.00 0.00 34.13 30.31 1qo6 s GLU 54 CO 0.00 -1.44 0.84 -0.35 -0.49 0.00 0.00 175.26 173.82 1qo6 n PRO 55 N -3.36 1.01 -1.99 0.39 -0.04 -1.26 -4.82 135.00 124.94 1qo6 n PRO 55 Ca 0.08 0.37 -0.27 0.00 -0.04 0.00 0.00 63.50 63.63 1qo6 n PRO 55 Cb 0.54 -1.87 0.18 0.00 -0.04 0.00 0.00 33.50 32.31 1qo6 n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qo6 n VAL 57 N -3.56 -0.15 -3.96 0.00 3.14 0.73 -4.79 118.33 109.74 1qo6 n VAL 57 Ca 0.16 -3.80 -0.22 0.00 -2.96 0.00 0.00 64.34 57.52 1qo6 n VAL 57 Cb 0.56 0.10 -0.05 0.00 -1.06 0.00 0.00 33.84 33.39 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 -2.31 3.43 0.30 6.55 -0.00 -1.26 -4.04 118.68 121.35 1qo6 s LEU 58 Ca 0.35 -0.63 -0.29 0.00 -0.00 0.00 0.00 54.13 53.56 1qo6 s LEU 58 Cb 0.33 -1.97 -0.10 0.00 -0.00 0.00 0.00 46.19 44.44 1qo6 s LEU 58 CO -0.08 -0.32 1.22 -2.84 -0.00 0.00 0.00 176.35 174.33 1qo6 s PRO 59 N -3.92 4.47 0.22 1.48 0.02 -1.26 -4.99 135.00 131.02 1qo6 s PRO 59 Ca 0.39 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.46 1qo6 s PRO 59 Cb -0.04 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.36 1qo6 s PRO 59 CO 0.25 -0.03 0.05 1.97 -0.33 0.00 0.00 177.00 178.90 1qo6 n PHE 60 N 1.04 0.03 -4.45 6.54 1.16 -0.65 -4.89 117.46 116.24 1qo6 n PHE 60 Ca -0.00 -1.04 -0.27 0.00 -1.87 0.00 0.00 57.45 54.27 1qo6 n PHE 60 Cb 0.43 -0.16 -0.17 0.00 -1.61 0.00 0.00 39.48 37.98 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 -1.60 1.33 -0.15 1.97 2.01 -1.26 -1.91 115.64 116.03 1qo6 s THR 61 Ca 0.04 -0.55 -0.10 0.00 0.31 0.00 0.00 61.69 61.39 1qo6 s THR 61 Cb -0.00 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.33 1qo6 s THR 61 CO 0.02 0.41 0.38 -0.47 -0.69 0.00 0.00 174.62 174.27 1qo6 s TYR 62 N 0.96 -0.50 0.00 4.92 5.04 -0.87 -4.85 117.35 122.05 1qo6 s TYR 62 Ca -0.08 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1qo6 s TYR 62 Cb -0.15 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.35 1qo6 s TYR 62 CO -0.00 -0.28 0.00 0.09 -1.34 0.00 0.00 175.55 174.02 1qo6 n ASN 63 N 3.72 -1.39 0.00 4.32 3.02 -1.26 -2.28 115.26 121.39 1qo6 n ASN 63 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1qo6 n ASN 63 Cb 0.56 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 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 -1.80 0.85 0.00 7.41 0.00 -1.26 -5.07 105.19 105.31 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 -1.29 3.18 -3.89 1.61 1.85 -0.96 -5.11 116.66 112.05 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 1.50 0.06 -0.07 8.89 2.01 -1.26 -2.04 115.64 124.74 1qo6 s THR 66 Ca 0.00 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 1qo6 s THR 66 Cb 0.00 -0.28 0.03 0.00 0.01 0.00 0.00 72.50 72.25 1qo6 s THR 66 CO 0.00 -0.28 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.27 1qo6 s PHE 67 N -0.91 0.77 -1.57 4.92 0.40 -0.80 -4.95 117.98 115.85 1qo6 s PHE 67 Ca -0.10 -0.23 0.29 0.00 -0.60 0.00 0.00 56.93 56.28 1qo6 s PHE 67 Cb -0.06 -0.79 1.51 0.00 0.51 0.00 0.00 43.02 44.19 1qo6 s PHE 67 CO 0.00 -0.30 2.00 0.66 0.70 0.00 0.00 175.22 178.29 1qo6 n TYR 68 N 4.75 0.00 -3.50 0.36 4.02 -1.26 -1.64 117.16 119.89 1qo6 n TYR 68 Ca -0.14 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.70 1qo6 n TYR 68 Cb 0.50 -0.22 0.01 0.00 -0.02 0.00 0.00 39.34 39.61 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1qo6 n SER 69 N -1.22 -1.01 -4.49 7.72 7.64 -1.26 -4.45 113.62 116.56 1qo6 n SER 69 Ca 0.15 -1.82 -0.29 0.00 1.01 0.00 0.00 58.87 57.93 1qo6 n SER 69 Cb 0.20 1.71 0.25 0.00 -1.01 0.00 0.00 64.21 65.36 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qo6 s THR 71 N -2.43 0.00 -1.28 0.00 -1.32 -0.49 -4.79 115.64 105.33 1qo6 s THR 71 Ca 0.69 -0.01 0.19 0.00 -1.21 0.00 0.00 61.69 61.34 1qo6 s THR 71 Cb -0.25 -1.07 0.65 0.00 -1.51 0.00 0.00 72.50 70.32 1qo6 s THR 71 CO 0.65 0.00 1.56 0.35 -2.21 0.00 0.00 174.62 174.97 1qo6 n THR 72 N -0.08 1.56 0.23 5.08 -2.24 -1.26 -2.18 114.28 115.39 1qo6 n THR 72 Ca 0.02 -1.16 0.15 0.00 -2.27 0.00 0.00 64.05 60.79 1qo6 n THR 72 Cb 0.58 0.25 0.64 0.00 -2.10 0.00 0.00 70.33 69.69 1qo6 n THR 72 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1qo6 h GLU 73 N 3.83 0.00 -0.53 -0.78 -0.00 -1.95 1.11 114.58 116.26 1qo6 h GLU 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1qo6 h GLU 73 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 1qo6 h GLU 73 CO 0.15 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.57 1qo6 n GLY 74 N -1.37 2.01 3.32 1.06 0.00 -1.26 -4.95 105.19 103.99 1qo6 n GLY 74 Ca 0.03 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.31 0.90 -0.19 1.61 3.03 0.38 -5.04 118.95 118.34 1qo6 s ARG 75 Ca 0.43 -0.34 0.16 0.00 2.03 0.00 0.00 55.73 58.01 1qo6 s ARG 75 Cb 0.24 0.40 0.52 0.00 -1.03 0.00 0.00 34.95 35.08 1qo6 s ARG 75 CO 0.32 -0.31 1.42 0.00 -1.13 0.00 0.00 175.30 175.61 1qo6 n GLN 76 N 0.57 2.69 -0.12 3.89 10.64 -1.26 -4.58 117.38 129.21 1qo6 n GLN 76 Ca -0.19 -2.88 -0.26 0.00 -1.83 0.00 0.00 57.00 51.84 1qo6 n GLN 76 Cb 0.59 -1.83 -0.11 0.00 -0.86 0.00 0.00 30.24 28.04 1qo6 n GLN 76 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1qo6 n ASP 77 N -0.65 1.92 0.00 2.61 5.75 -1.26 -5.04 116.55 119.88 1qo6 n ASP 77 Ca 0.23 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 1qo6 n ASP 77 Cb 0.91 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qo6 n GLY 78 N 1.37 1.30 3.24 6.12 0.00 -1.26 -5.13 105.19 110.82 1qo6 n GLY 78 Ca -0.44 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.61 2.97 0.23 1.61 3.76 -1.26 -5.04 115.29 115.96 1qo6 s HIS 79 Ca 0.00 -1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 53.33 1qo6 s HIS 79 Cb 0.00 -2.06 -0.09 0.00 1.11 0.00 0.00 32.58 31.54 1qo6 s HIS 79 CO 0.00 -0.66 1.26 -0.51 -0.85 0.00 0.00 174.74 173.98 1qo6 s LEU 80 N 1.39 4.45 0.04 0.89 1.02 -1.25 -4.26 118.68 120.95 1qo6 s LEU 80 Ca 0.04 2.41 0.00 0.00 0.02 0.00 0.00 54.13 56.59 1qo6 s LEU 80 Cb -0.15 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 1qo6 s LEU 80 CO -0.05 -0.44 -0.04 -1.66 0.02 0.00 0.00 176.35 174.18 1qo6 s TRP 81 N -0.36 0.44 0.12 0.29 1.48 -0.93 0.25 118.94 120.23 1qo6 s TRP 81 Ca 0.53 -0.74 0.02 0.00 -1.06 0.00 0.00 56.10 54.84 1qo6 s TRP 81 Cb -0.36 -0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 31.60 1qo6 s TRP 81 CO 0.41 -0.24 -0.05 0.00 -4.06 0.00 0.00 176.95 173.01 1qo6 s SER 83 N -3.07 6.93 0.02 0.00 0.15 -1.26 0.02 113.70 116.48 1qo6 s SER 83 Ca 0.15 1.20 0.22 0.00 0.70 0.00 0.00 55.95 58.22 1qo6 s SER 83 Cb 0.05 -2.34 -0.26 0.00 -1.71 0.00 0.00 66.02 61.77 1qo6 s SER 83 CO -0.03 0.12 0.63 0.35 1.20 0.00 0.00 173.24 175.51 1qo6 n THR 84 N 0.94 0.11 -4.40 6.45 -2.24 -0.29 0.26 114.28 115.11 1qo6 n THR 84 Ca -0.05 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 61.04 1qo6 n THR 84 Cb 0.51 0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.59 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 -3.45 0.86 0.42 4.28 2.01 -1.26 -4.55 115.64 113.96 1qo6 s THR 85 Ca -0.05 -0.33 0.29 0.00 0.31 0.00 0.00 61.69 61.91 1qo6 s THR 85 Cb 0.13 -0.81 0.46 0.00 0.01 0.00 0.00 72.50 72.29 1qo6 s THR 85 CO 0.88 0.29 1.59 -1.28 -0.69 0.00 0.00 174.62 175.41 1qo6 h SER 86 N 6.99 0.24 -3.23 3.53 0.87 -1.91 -2.17 113.55 117.88 1qo6 h SER 86 Ca -0.34 0.18 -0.79 0.00 -1.23 0.00 0.00 61.79 59.61 1qo6 h SER 86 Cb 1.17 0.18 -0.29 0.00 -0.44 0.00 0.00 62.40 63.02 1qo6 h SER 86 CO 0.48 -0.28 0.50 -3.20 -0.53 0.00 0.00 176.83 173.80 1qo6 n ASN 87 N -4.85 5.70 0.18 6.23 5.15 -1.26 -4.69 115.26 121.73 1qo6 n ASN 87 Ca 0.39 -3.21 0.14 0.00 -0.60 0.00 0.00 54.58 51.29 1qo6 n ASN 87 Cb 1.47 -1.28 0.44 0.00 -0.53 0.00 0.00 39.78 39.88 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 6.01 0.00 0.00 1.20 5.03 -1.73 -0.66 116.97 126.82 1qo6 h TYR 88 Ca 0.19 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 1qo6 h TYR 88 Cb 0.75 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.03 1qo6 h TYR 88 CO 0.85 0.00 -0.10 0.93 -1.32 0.00 0.00 178.16 178.52 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.88 -1.25 114.58 118.34 1qo6 h GLU 89 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1qo6 h GLU 89 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1qo6 h GLU 89 CO 0.00 0.10 -1.42 0.00 -1.00 0.00 0.00 179.01 176.68 1qo6 n GLN 90 N -3.32 1.11 0.05 2.33 -0.00 -1.12 -4.77 117.38 111.66 1qo6 n GLN 90 Ca -0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 57.00 56.92 1qo6 n GLN 90 Cb 0.30 -1.15 -0.07 0.00 -0.00 0.00 0.00 30.24 29.32 1qo6 n GLN 90 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1qo6 h ASP 91 N 0.00 -0.19 -0.01 2.61 3.58 -1.18 -3.48 116.42 117.75 1qo6 h ASP 91 Ca -0.17 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 1qo6 h ASP 91 Cb 1.30 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.39 1qo6 h ASP 91 CO -0.01 0.38 -0.00 1.67 -2.88 0.00 0.00 179.24 178.39 1qo6 n GLN 92 N -4.92 -0.07 -2.93 0.28 7.27 -0.47 -4.99 117.38 111.55 1qo6 n GLN 92 Ca -0.07 0.16 -0.43 0.00 0.07 0.00 0.00 57.00 56.72 1qo6 n GLN 92 Cb 0.25 -3.34 -0.04 0.00 2.41 0.00 0.00 30.24 29.52 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1qo6 s LYS 93 N -0.62 3.18 0.26 3.69 3.01 -1.26 -4.91 119.74 123.09 1qo6 s LYS 93 Ca 0.00 -0.69 0.11 0.00 -1.01 0.00 0.00 55.97 54.37 1qo6 s LYS 93 Cb 0.00 -4.15 -0.05 0.00 -1.01 0.00 0.00 37.83 32.62 1qo6 s LYS 93 CO 0.00 -1.57 -0.18 1.52 0.51 0.00 0.00 175.35 175.62 1qo6 s TYR 94 N 3.64 2.12 -0.00 3.18 -0.85 -1.26 -1.14 117.35 123.04 1qo6 s TYR 94 Ca 0.23 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.38 1qo6 s TYR 94 Cb -0.16 -0.93 -0.00 0.00 0.38 0.00 0.00 41.96 41.24 1qo6 s TYR 94 CO 0.13 0.61 -0.03 -1.54 -1.52 0.00 0.00 175.55 173.21 1qo6 s SER 95 N -3.45 0.33 1.15 -0.18 1.04 0.10 0.18 113.70 112.88 1qo6 s SER 95 Ca 0.28 -0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 1qo6 s SER 95 Cb -0.04 -0.03 0.27 0.00 0.10 0.00 0.00 66.02 66.32 1qo6 s SER 95 CO 0.13 0.02 1.15 -0.36 0.98 0.00 0.00 173.24 175.16 1qo6 s PHE 96 N -0.13 0.71 -0.16 5.02 0.08 -1.25 0.19 117.98 122.44 1qo6 s PHE 96 Ca 0.00 0.46 -0.12 0.00 0.12 0.00 0.00 56.93 57.39 1qo6 s PHE 96 Cb -0.01 -3.58 0.05 0.00 -0.57 0.00 0.00 43.02 38.91 1qo6 s PHE 96 CO -0.00 -3.64 0.42 0.00 -0.10 0.00 0.00 175.22 171.90 1qo6 h THR 98 N 4.91 1.28 0.00 0.00 1.35 -1.85 -3.32 112.91 115.29 1qo6 h THR 98 Ca -0.31 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 1qo6 h THR 98 Cb 1.18 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1qo6 h THR 98 CO 0.26 0.58 0.00 -0.67 -0.25 0.00 0.00 175.52 175.44 1qo6 n ASP 99 N -4.03 0.00 -4.85 5.36 2.03 -1.26 -4.92 116.55 108.89 1qo6 n ASP 99 Ca -0.06 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.98 1qo6 n ASP 99 Cb 0.66 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.15 1qo6 n ASP 99 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1qo6 s HIS 100 N 0.00 2.78 0.00 -0.67 3.76 -1.26 -4.76 115.29 115.14 1qo6 s HIS 100 Ca 0.00 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 1qo6 s HIS 100 Cb 0.00 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.31 1qo6 s HIS 100 CO 0.00 -1.66 0.37 -2.37 -0.85 0.00 0.00 174.74 170.23