#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkh s SER 4 N 0.00 -0.31 -0.06 -2.13 1.04 0.66 -4.95 113.70 107.96 1dkh s SER 4 Ca 0.00 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 1dkh s SER 4 Cb 0.00 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1dkh s SER 4 CO 0.00 -0.85 0.14 0.54 0.98 0.00 0.00 173.24 174.05 1dkh s VAL 5 N -3.35 -0.01 -0.02 5.02 0.11 -1.26 -0.87 120.40 120.02 1dkh s VAL 5 Ca 0.08 0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 1dkh s VAL 5 Cb -0.02 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1dkh s VAL 5 CO -0.03 0.02 -0.22 0.20 -3.33 0.00 0.00 175.10 171.74 1dkh s ASN 6 N 0.34 2.55 -0.09 3.54 -0.87 -0.99 -4.98 114.94 114.44 1dkh s ASN 6 Ca -0.02 -0.39 -0.16 0.00 -1.57 0.00 0.00 52.86 50.72 1dkh s ASN 6 Cb -0.03 -0.29 0.03 0.00 -0.02 0.00 0.00 41.25 40.94 1dkh s ASN 6 CO -0.01 0.27 0.39 -0.72 -2.57 0.00 0.00 177.10 174.45 1dkh s TYR 7 N -0.50 -0.35 0.39 2.20 1.13 -1.26 -1.66 117.35 117.29 1dkh s TYR 7 Ca 0.08 0.75 -0.27 0.00 -1.41 0.00 0.00 57.07 56.22 1dkh s TYR 7 Cb -0.08 0.15 -0.11 0.00 -1.10 0.00 0.00 41.96 40.82 1dkh s TYR 7 CO -0.01 -0.31 1.40 -3.47 -2.51 0.00 0.00 175.55 170.65 1dkh n ASP 8 N 2.07 3.30 0.30 -0.18 2.03 -0.84 -4.88 116.55 118.35 1dkh n ASP 8 Ca -0.17 1.19 0.15 0.00 0.52 0.00 0.00 54.79 56.48 1dkh n ASP 8 Cb 0.57 -1.57 0.91 0.00 -0.72 0.00 0.00 41.12 40.31 1dkh n ASP 8 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1dkh h SER 9 N 2.62 0.00 -0.62 1.67 0.87 -1.96 -2.85 113.55 113.28 1dkh h SER 9 Ca -0.49 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.22 1dkh h SER 9 Cb 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 1dkh h SER 9 CO 0.63 0.01 0.44 -1.28 -0.53 0.00 0.00 176.83 176.10 1dkh h SER 10 N 0.00 0.14 -0.64 6.23 0.87 -1.94 -2.06 113.55 116.15 1dkh h SER 10 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1dkh h SER 10 Cb 0.04 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1dkh h SER 10 CO 0.00 0.07 0.00 0.49 -0.53 0.00 0.00 176.83 176.86 1dkh n PHE 11 N -4.41 1.34 -0.28 2.24 3.01 -1.08 -4.65 117.46 113.64 1dkh n PHE 11 Ca 0.12 -0.60 0.10 0.00 1.01 0.00 0.00 57.45 58.08 1dkh n PHE 11 Cb 0.59 -0.20 0.25 0.00 -0.01 0.00 0.00 39.48 40.11 1dkh n PHE 11 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1dkh h GLY 12 N 3.95 1.27 -3.67 1.37 0.00 -1.52 -0.75 103.07 103.73 1dkh h GLY 12 Ca 0.00 -0.08 -0.54 0.00 0.00 0.00 0.00 47.33 46.72 1dkh h GLY 12 CO 0.18 -0.26 0.47 0.61 0.00 0.00 0.00 176.54 177.55 1dkh n GLY 13 N -1.36 5.33 3.78 4.60 0.00 -1.26 0.11 105.19 116.39 1dkh n GLY 13 Ca 0.18 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1dkh n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dkh s TYR 14 N -3.54 3.27 0.27 1.61 2.02 -0.29 -4.89 117.35 115.80 1dkh s TYR 14 Ca 0.58 0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 57.34 1dkh s TYR 14 Cb 0.47 -1.73 -0.08 0.00 -0.40 0.00 0.00 41.96 40.22 1dkh s TYR 14 CO 0.04 0.55 0.65 -1.54 -1.57 0.00 0.00 175.55 173.67 1dkh s SER 15 N -1.74 6.75 0.21 2.29 1.04 -1.25 -1.41 113.70 119.58 1dkh s SER 15 Ca 0.23 1.14 -0.09 0.00 0.48 0.00 0.00 55.95 57.71 1dkh s SER 15 Cb -0.12 -2.32 0.29 0.00 0.10 0.00 0.00 66.02 63.97 1dkh s SER 15 CO 0.14 -0.11 1.77 0.40 0.98 0.00 0.00 173.24 176.41 1dkh h ILE 16 N 2.10 0.83 -0.68 -1.02 2.04 -1.42 -0.26 117.51 119.10 1dkh h ILE 16 Ca -0.48 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.32 1dkh h ILE 16 Cb 1.18 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 1dkh h ILE 16 CO 0.67 0.09 0.28 -0.74 0.00 0.00 0.00 178.15 178.45 1dkh h HIS 17 N 0.51 0.48 0.17 1.37 -0.00 -0.44 -2.24 115.15 115.01 1dkh h HIS 17 Ca 0.32 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 1dkh h HIS 17 Cb 0.34 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 1dkh h HIS 17 CO -0.13 0.12 -0.08 -0.44 -0.00 0.00 0.00 177.93 177.39 1dkh h ASP 18 N 0.46 -0.20 0.05 3.26 3.45 -1.37 -0.95 116.42 121.13 1dkh h ASP 18 Ca 0.35 -0.13 0.01 0.00 0.43 0.00 0.00 57.03 57.69 1dkh h ASP 18 Cb 0.45 0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.25 1dkh h ASP 18 CO -0.33 0.01 -0.22 0.22 -1.57 0.00 0.00 179.24 177.36 1dkh h TYR 19 N -0.40 -0.63 -0.80 4.55 3.20 -0.92 0.45 116.97 122.42 1dkh h TYR 19 Ca -0.02 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.04 1dkh h TYR 19 Cb 0.31 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1dkh h TYR 19 CO -0.02 -0.24 0.54 -0.07 -1.64 0.00 0.00 178.16 176.73 1dkh h LEU 20 N -0.31 0.33 -1.63 2.82 3.38 -1.45 0.56 115.31 119.02 1dkh h LEU 20 Ca -0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1dkh h LEU 20 Cb 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1dkh h LEU 20 CO -0.12 0.16 -0.20 1.23 0.09 0.00 0.00 178.44 179.59 1dkh h GLY 21 N 0.35 0.00 0.80 0.83 0.00 -0.12 0.25 103.07 105.17 1dkh h GLY 21 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.42 1dkh h GLY 21 CO -0.12 0.00 -1.84 -0.18 0.00 0.00 0.00 176.54 174.40 1dkh n GLN 22 N -3.90 0.65 -0.14 4.80 7.27 0.15 -2.11 117.38 124.11 1dkh n GLN 22 Ca -0.02 0.25 -0.11 0.00 0.07 0.00 0.00 57.00 57.19 1dkh n GLN 22 Cb 0.29 -1.74 -0.02 0.00 2.41 0.00 0.00 30.24 31.18 1dkh n GLN 22 CO 0.00 0.00 0.00 2.35 0.07 0.00 0.00 177.06 179.48 1dkh h TRP 23 N 0.01 0.82 0.00 3.69 7.01 0.42 -2.67 115.95 125.23 1dkh h TRP 23 Ca -0.34 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 60.50 1dkh h TRP 23 Cb 2.05 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.90 1dkh h TRP 23 CO 0.01 0.85 0.00 0.00 -2.79 0.00 0.00 178.44 176.51 1dkh h ALA 24 N 0.86 1.00 -0.46 2.65 0.00 -0.64 -1.34 119.26 121.33 1dkh h ALA 24 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1dkh h ALA 24 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1dkh h ALA 24 CO 0.03 0.00 -0.04 1.03 0.00 0.00 0.00 179.25 180.27 1dkh h SER 25 N 0.00 0.76 0.11 0.00 0.87 -1.07 -2.79 113.55 111.44 1dkh h SER 25 Ca 0.00 -0.20 -0.35 0.00 -1.23 0.00 0.00 61.79 60.00 1dkh h SER 25 Cb 0.72 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1dkh h SER 25 CO 0.00 0.86 -1.95 0.35 -0.53 0.00 0.00 176.83 175.56 1dkh n THR 26 N -4.20 1.75 -0.16 2.23 -2.24 -1.10 -4.22 114.28 106.35 1dkh n THR 26 Ca 0.02 -0.59 0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1dkh n THR 26 Cb 0.32 -1.75 0.43 0.00 -2.10 0.00 0.00 70.33 67.23 1dkh n THR 26 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1dkh h PHE 27 N -0.04 0.61 -0.46 4.78 3.04 -1.30 -3.43 116.94 120.14 1dkh h PHE 27 Ca -0.43 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1dkh h PHE 27 Cb 1.96 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 40.27 1dkh h PHE 27 CO 0.08 0.28 0.00 0.41 -2.02 0.00 0.00 178.31 177.06 1dkh n GLY 28 N -1.48 -0.59 3.20 2.40 0.00 -1.05 -4.53 105.19 103.13 1dkh n GLY 28 Ca 0.12 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1dkh n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dkh s ASP 29 N -4.00 5.64 0.41 1.61 3.68 -1.26 -2.61 116.67 120.14 1dkh s ASP 29 Ca 0.00 -1.96 0.21 0.00 2.13 0.00 0.00 52.55 52.93 1dkh s ASP 29 Cb 0.00 -1.98 1.17 0.00 -1.45 0.00 0.00 42.92 40.66 1dkh s ASP 29 CO 0.00 -0.67 1.74 0.58 0.13 0.00 0.00 175.17 176.95 1dkh h VAL 30 N 6.14 0.43 -3.03 1.11 2.07 -1.64 -3.47 116.25 117.87 1dkh h VAL 30 Ca -0.19 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1dkh h VAL 30 Cb 1.07 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1dkh h VAL 30 CO 0.83 0.06 -0.01 -3.20 0.02 0.00 0.00 177.57 175.28 1dkh n ASN 31 N -4.65 -2.07 -4.04 0.57 5.15 -1.25 -4.80 115.26 104.17 1dkh n ASN 31 Ca 0.28 0.01 -0.34 0.00 -0.60 0.00 0.00 54.58 53.93 1dkh n ASN 31 Cb 1.00 -1.05 -0.09 0.00 -0.53 0.00 0.00 39.78 39.10 1dkh n ASN 31 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1dkh s HIS 32 N -0.71 3.63 0.28 1.20 2.46 -1.26 -4.66 115.29 116.23 1dkh s HIS 32 Ca 0.00 -3.04 0.05 0.00 0.47 0.00 0.00 55.06 52.54 1dkh s HIS 32 Cb -0.00 -3.07 -0.06 0.00 -0.13 0.00 0.00 32.58 29.33 1dkh s HIS 32 CO 0.01 -0.72 -0.00 0.95 -2.47 0.00 0.00 174.74 172.51 1dkh s THR 33 N -0.97 1.31 0.27 0.89 -4.23 -1.26 -4.97 115.64 106.68 1dkh s THR 33 Ca 0.23 -2.05 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 1dkh s THR 33 Cb -0.11 -2.55 -0.13 0.00 1.34 0.00 0.00 72.50 71.05 1dkh s THR 33 CO -0.10 -0.20 1.31 0.59 -0.54 0.00 0.00 174.62 175.68 1dkh n ASN 34 N -0.58 2.51 -1.10 3.99 3.02 -1.26 -1.84 115.26 120.01 1dkh n ASN 34 Ca -0.04 1.17 -0.14 0.00 -0.03 0.00 0.00 54.58 55.53 1dkh n ASN 34 Cb 0.65 -1.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.34 1dkh n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dkh n GLY 35 N 1.62 1.45 0.00 7.41 0.00 -1.26 -4.73 105.19 109.68 1dkh n GLY 35 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1dkh n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dkh n ASN 36 N -0.69 0.17 -4.56 1.61 5.03 -0.76 -5.03 115.26 111.03 1dkh n ASN 36 Ca -0.14 -0.04 -0.40 0.00 0.87 0.00 0.00 54.58 54.87 1dkh n ASN 36 Cb 0.52 0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 39.36 1dkh n ASN 36 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1dkh s VAL 37 N -0.14 3.47 0.00 2.41 1.01 -1.02 -4.79 120.40 121.34 1dkh s VAL 37 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1dkh s VAL 37 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1dkh s VAL 37 CO 0.00 -0.97 0.00 0.35 0.00 0.00 0.00 175.10 174.48 1dkh n THR 38 N 7.11 0.00 0.04 3.92 -2.24 -1.26 -4.97 114.28 116.88 1dkh n THR 38 Ca 0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.93 1dkh n THR 38 Cb 0.51 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 1dkh n THR 38 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1dkh h ASP 39 N 0.00 0.00 0.30 3.42 3.45 -1.99 -3.09 116.42 118.51 1dkh h ASP 39 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1dkh h ASP 39 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1dkh h ASP 39 CO 0.00 0.76 -0.14 0.00 -1.57 0.00 0.00 179.24 178.29 1dkh h ALA 40 N 1.24 -0.40 0.00 3.45 0.00 -1.96 -3.11 119.26 118.48 1dkh h ALA 40 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1dkh h ALA 40 Cb 1.70 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1dkh h ALA 40 CO 0.08 -0.63 0.00 -0.91 0.00 0.00 0.00 179.25 177.79 1dkh h ASN 41 N -0.60 0.00 0.00 0.00 2.35 -1.87 -3.41 115.58 112.04 1dkh h ASN 41 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1dkh h ASN 41 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1dkh h ASN 41 CO 0.07 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.31 1dkh n SER 42 N -2.53 0.00 0.00 5.81 3.41 -1.17 -4.92 113.62 114.22 1dkh n SER 42 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1dkh n SER 42 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1dkh n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dkh n GLY 43 N -0.44 0.36 0.00 5.00 0.00 -1.26 -5.05 105.19 103.79 1dkh n GLY 43 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1dkh n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkh n GLY 44 N 0.00 3.57 0.00 -0.02 0.00 -1.26 -4.80 105.19 102.69 1dkh n GLY 44 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1dkh n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dkh n PHE 45 N 0.01 -1.96 -3.28 1.61 3.01 -1.26 -3.02 117.46 112.57 1dkh n PHE 45 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1dkh n PHE 45 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 1dkh n PHE 45 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1dkh s TYR 46 N 0.91 -1.20 0.00 1.38 6.14 -0.91 -4.86 117.35 118.81 1dkh s TYR 46 Ca 0.00 1.32 0.00 0.00 0.64 0.00 0.00 57.07 59.03 1dkh s TYR 46 Cb 0.00 0.31 0.00 0.00 0.42 0.00 0.00 41.96 42.69 1dkh s TYR 46 CO 0.00 -0.78 0.00 0.41 0.64 0.00 0.00 175.55 175.82 1dkh n GLY 47 N 5.40 1.99 0.00 8.97 0.00 -1.26 -1.96 105.19 118.33 1dkh n GLY 47 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1dkh n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkh n GLY 48 N -0.14 0.04 0.01 -0.02 0.00 -1.23 -3.40 105.19 100.44 1dkh n GLY 48 Ca 0.00 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.48 1dkh n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dkh n SER 49 N 2.52 1.62 -0.48 1.61 2.88 -1.26 -4.60 113.62 115.91 1dkh n SER 49 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1dkh n SER 49 Cb 0.00 1.66 0.00 0.00 -0.75 0.00 0.00 64.21 65.12 1dkh n SER 49 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1dkh n LEU 50 N -2.02 0.00 -4.42 2.46 7.99 -1.26 -4.70 117.00 115.04 1dkh n LEU 50 Ca -0.03 -0.97 -0.23 0.00 -0.01 0.00 0.00 56.01 54.77 1dkh n LEU 50 Cb 0.40 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.63 1dkh n LEU 50 CO 0.31 0.53 -0.15 -0.44 -1.51 0.00 0.00 177.39 176.13 1dkh s SER 51 N -0.58 2.35 0.00 -1.43 0.01 -1.26 -0.11 113.70 112.68 1dkh s SER 51 Ca 0.00 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.53 1dkh s SER 51 Cb 0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1dkh s SER 51 CO 0.00 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1dkh n GLY 52 N -0.80 0.02 0.17 3.44 0.00 -1.22 -3.53 105.19 103.26 1dkh n GLY 52 Ca -0.00 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.31 1dkh n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dkh n SER 53 N 3.00 1.32 -3.75 1.61 3.41 -0.83 -2.13 113.62 116.25 1dkh n SER 53 Ca 0.00 -1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 57.32 1dkh n SER 53 Cb 0.00 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 1dkh n SER 53 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dkh s GLN 54 N -0.39 0.40 0.01 4.33 -0.21 -1.24 -2.99 119.66 119.58 1dkh s GLN 54 Ca 0.05 0.51 0.05 0.00 0.02 0.00 0.00 55.36 55.98 1dkh s GLN 54 Cb 0.04 0.18 -0.02 0.00 1.00 0.00 0.00 33.01 34.21 1dkh s GLN 54 CO 0.06 -0.06 -0.15 -0.47 -2.12 0.00 0.00 175.29 172.55 1dkh s TYR 55 N 0.28 1.35 -0.29 0.91 5.04 -0.96 -2.15 117.35 121.53 1dkh s TYR 55 Ca -0.01 -0.29 -0.14 0.00 -2.44 0.00 0.00 57.07 54.20 1dkh s TYR 55 Cb -0.03 -0.85 0.12 0.00 0.35 0.00 0.00 41.96 41.55 1dkh s TYR 55 CO -0.00 0.00 0.75 0.00 -1.34 0.00 0.00 175.55 174.96 1dkh s ALA 56 N -0.52 -2.08 0.33 3.97 0.00 -1.17 -1.51 121.76 120.77 1dkh s ALA 56 Ca 0.05 2.33 0.05 0.00 0.00 0.00 0.00 51.96 54.39 1dkh s ALA 56 Cb -0.07 -1.66 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 1dkh s ALA 56 CO 0.00 -0.64 0.03 -1.50 0.00 0.00 0.00 175.76 173.65 1dkh s ILE 57 N 2.15 1.39 0.08 0.00 2.07 -1.18 -4.32 121.20 121.38 1dkh s ILE 57 Ca -0.08 -2.02 0.01 0.00 -1.41 0.00 0.00 60.65 57.15 1dkh s ILE 57 Cb -0.07 -2.75 -0.04 0.00 0.13 0.00 0.00 42.46 39.73 1dkh s ILE 57 CO -0.19 -0.06 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.78 1dkh s SER 58 N -3.51 0.98 0.22 4.50 1.04 -1.26 -2.79 113.70 112.89 1dkh s SER 58 Ca 0.35 -0.91 -0.32 0.00 0.48 0.00 0.00 55.95 55.55 1dkh s SER 58 Cb 0.08 0.10 -0.14 0.00 0.10 0.00 0.00 66.02 66.16 1dkh s SER 58 CO 0.15 -0.43 1.37 -0.24 0.98 0.00 0.00 173.24 175.07 1dkh n SER 59 N 0.28 2.50 -2.43 7.02 2.88 -0.25 -4.87 113.62 118.75 1dkh n SER 59 Ca -0.15 1.14 -0.32 0.00 -1.33 0.00 0.00 58.87 58.21 1dkh n SER 59 Cb 0.60 -1.38 0.04 0.00 -0.75 0.00 0.00 64.21 62.71 1dkh n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1dkh n THR 60 N 1.96 3.15 0.00 2.46 -2.24 -1.26 -3.00 114.28 115.35 1dkh n THR 60 Ca 0.13 -3.92 0.00 0.00 -2.27 0.00 0.00 64.05 57.98 1dkh n THR 60 Cb 0.30 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1dkh n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dkh n ALA 61 N -0.70 1.64 -0.05 6.98 0.00 -1.26 -4.83 120.51 122.29 1dkh n ALA 61 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1dkh n ALA 61 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1dkh n ALA 61 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1dkh n ASN 62 N -1.22 0.47 0.00 0.00 6.94 -1.26 -5.00 115.26 115.19 1dkh n ASN 62 Ca 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 54.58 53.82 1dkh n ASN 62 Cb 0.05 0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1dkh n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dkh n GLN 63 N -0.44 0.00 -0.11 -3.83 1.13 -1.16 -4.72 117.38 108.26 1dkh n GLN 63 Ca 0.00 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 1dkh n GLN 63 Cb 0.01 -1.65 -0.08 0.00 0.11 0.00 0.00 30.24 28.63 1dkh n GLN 63 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1dkh n VAL 64 N -1.04 1.21 -1.95 5.09 3.14 -1.26 -4.68 118.33 118.83 1dkh n VAL 64 Ca 0.00 -0.30 -0.40 0.00 -2.96 0.00 0.00 64.34 60.68 1dkh n VAL 64 Cb 0.00 -1.80 -0.00 0.00 -1.06 0.00 0.00 33.84 30.97 1dkh n VAL 64 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1dkh s THR 65 N -2.40 2.38 0.05 1.55 -1.32 -1.26 -0.66 115.64 113.98 1dkh s THR 65 Ca -0.31 0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.52 1dkh s THR 65 Cb 0.12 -3.22 0.01 0.00 -1.51 0.00 0.00 72.50 67.89 1dkh s THR 65 CO 0.38 0.07 0.09 0.00 -2.21 0.00 0.00 174.62 172.95 1dkh n ALA 66 N 0.27 -0.16 -2.71 11.08 0.00 -0.48 -1.09 120.51 127.41 1dkh n ALA 66 Ca 0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1dkh n ALA 66 Cb 0.42 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 1dkh n ALA 66 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1dkh s PHE 67 N -6.66 0.26 -0.20 0.00 -0.12 -1.12 -2.68 117.98 107.46 1dkh s PHE 67 Ca 0.03 -0.64 -0.06 0.00 -0.05 0.00 0.00 56.93 56.21 1dkh s PHE 67 Cb -0.00 -0.02 0.09 0.00 -0.63 0.00 0.00 43.02 42.46 1dkh s PHE 67 CO 0.02 -0.67 0.39 0.08 -0.05 0.00 0.00 175.22 175.00 1dkh s VAL 68 N -3.92 -0.62 -0.20 -2.49 1.01 -1.08 -3.12 120.40 109.98 1dkh s VAL 68 Ca 0.12 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 1dkh s VAL 68 Cb 0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1dkh s VAL 68 CO -0.04 0.05 0.39 0.00 0.00 0.00 0.00 175.10 175.50 1dkh s ALA 69 N 2.58 3.56 0.00 5.51 0.00 -0.57 -2.54 121.76 130.30 1dkh s ALA 69 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1dkh s ALA 69 Cb -0.12 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1dkh s ALA 69 CO -0.13 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1dkh n GLY 70 N 3.91 2.35 1.40 0.00 0.00 0.86 -2.25 105.19 111.46 1dkh n GLY 70 Ca -0.08 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1dkh n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkh n GLY 71 N 5.00 1.01 2.65 -0.02 0.00 -1.16 -2.04 105.19 110.63 1dkh n GLY 71 Ca 0.00 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 1dkh n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dkh s ASN 72 N -4.00 2.92 -0.31 1.61 3.04 -0.09 -4.32 114.94 113.79 1dkh s ASN 72 Ca 0.00 -0.91 0.03 0.00 0.04 0.00 0.00 52.86 52.02 1dkh s ASN 72 Cb 0.00 -0.45 0.09 0.00 -1.54 0.00 0.00 41.25 39.35 1dkh s ASN 72 CO 0.00 -0.36 0.02 -0.76 -3.04 0.00 0.00 177.10 172.97 1dkh s LEU 73 N 1.98 3.89 -0.03 3.21 1.43 -0.91 0.76 118.68 129.02 1dkh s LEU 73 Ca 0.03 -1.84 -0.19 0.00 -1.03 0.00 0.00 54.13 51.09 1dkh s LEU 73 Cb -0.17 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1dkh s LEU 73 CO -0.15 -0.34 0.55 -0.89 0.23 0.00 0.00 176.35 175.74 1dkh s THR 74 N 1.11 5.00 0.00 5.49 2.01 -0.12 -3.56 115.64 125.56 1dkh s THR 74 Ca 0.06 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1dkh s THR 74 Cb -0.19 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.44 1dkh s THR 74 CO -0.10 0.41 0.00 0.00 -0.69 0.00 0.00 174.62 174.24 1dkh n TYR 75 N 2.88 -3.02 -2.71 4.92 9.36 0.85 -2.00 117.16 127.44 1dkh n TYR 75 Ca -0.08 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.08 1dkh n TYR 75 Cb 0.51 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.29 1dkh n TYR 75 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1dkh n THR 76 N -1.11 0.00 0.00 2.97 -2.24 -1.26 -4.90 114.28 107.73 1dkh n THR 76 Ca 0.00 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1dkh n THR 76 Cb 0.00 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1dkh n THR 76 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1dkh n LEU 77 N 1.45 0.00 -0.00 3.22 7.94 -1.26 -2.77 117.00 125.58 1dkh n LEU 77 Ca 0.05 0.75 0.04 0.00 -1.11 0.00 0.00 56.01 55.74 1dkh n LEU 77 Cb 0.68 -0.35 -0.06 0.00 0.53 0.00 0.00 43.42 44.21 1dkh n LEU 77 CO -0.05 -0.35 -0.56 0.49 -1.11 0.00 0.00 177.39 175.81 1dkh n PHE 78 N -2.58 0.00 -1.61 1.96 3.72 -1.26 0.11 117.46 117.80 1dkh n PHE 78 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1dkh n PHE 78 Cb 0.00 -0.17 0.05 0.00 -0.94 0.00 0.00 39.48 38.42 1dkh n PHE 78 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1dkh n ASN 79 N -1.74 0.78 -4.68 4.37 3.02 -1.26 -4.22 115.26 111.54 1dkh n ASN 79 Ca -0.01 0.81 -0.45 0.00 -0.03 0.00 0.00 54.58 54.90 1dkh n ASN 79 Cb 0.20 -1.39 -0.04 0.00 -0.61 0.00 0.00 39.78 37.94 1dkh n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1dkh n GLU 80 N -0.96 2.48 -3.47 3.52 1.02 -1.26 -2.74 120.64 119.23 1dkh n GLU 80 Ca 0.13 0.91 -0.23 0.00 -0.02 0.00 0.00 57.16 57.95 1dkh n GLU 80 Cb 0.47 -2.78 -0.01 0.00 -0.02 0.00 0.00 31.44 29.10 1dkh n GLU 80 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1dkh s PRO 81 N 3.38 3.41 0.54 3.49 0.02 -1.26 -4.95 135.00 139.63 1dkh s PRO 81 Ca 0.87 -0.48 -0.21 0.00 0.02 0.00 0.00 61.00 61.20 1dkh s PRO 81 Cb -0.58 -2.71 -0.06 0.00 0.02 0.00 0.00 34.50 31.16 1dkh s PRO 81 CO 0.44 0.16 1.07 0.00 -0.33 0.00 0.00 177.00 178.34 1dkh n ALA 82 N -1.72 0.52 -1.50 -1.55 0.00 -1.11 -4.24 120.51 110.91 1dkh n ALA 82 Ca -0.05 0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1dkh n ALA 82 Cb 0.57 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.86 1dkh n ALA 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dkh n HIS 83 N -1.23 -0.50 -3.39 0.00 8.25 0.30 -4.73 115.22 113.90 1dkh n HIS 83 Ca 0.12 0.21 -0.19 0.00 -0.26 0.00 0.00 57.72 57.60 1dkh n HIS 83 Cb 0.45 -0.33 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 1dkh n HIS 83 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1dkh s THR 84 N -0.31 -0.31 0.61 1.59 -4.23 -1.22 -4.80 115.64 106.96 1dkh s THR 84 Ca 0.07 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.58 1dkh s THR 84 Cb -0.01 -0.86 -0.10 0.00 1.34 0.00 0.00 72.50 72.88 1dkh s THR 84 CO 0.17 -0.57 0.29 -0.11 -0.54 0.00 0.00 174.62 173.85 1dkh n LEU 85 N 4.73 -0.71 -3.68 4.79 7.94 -1.26 -4.41 117.00 124.40 1dkh n LEU 85 Ca 0.05 0.65 -0.01 0.00 -1.11 0.00 0.00 56.01 55.60 1dkh n LEU 85 Cb 0.45 -1.08 -0.01 0.00 0.53 0.00 0.00 43.42 43.31 1dkh n LEU 85 CO 0.05 -3.67 0.91 -0.72 -1.11 0.00 0.00 177.39 172.86 1dkh s TYR 86 N -1.85 -0.08 0.00 1.96 -0.85 -0.85 -3.98 117.35 111.70 1dkh s TYR 86 Ca 0.63 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 57.07 1dkh s TYR 86 Cb -0.42 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.50 1dkh s TYR 86 CO 0.60 -0.51 0.00 0.41 -1.52 0.00 0.00 175.55 174.52 1dkh n GLY 87 N -0.48 0.32 2.76 5.49 0.00 0.18 -0.95 105.19 112.52 1dkh n GLY 87 Ca -0.07 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 1dkh n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dkh s GLN 88 N -0.52 1.94 0.05 1.61 -0.44 0.23 -0.90 119.66 121.63 1dkh s GLN 88 Ca 0.00 -2.86 -0.30 0.00 -2.50 0.00 0.00 55.36 49.69 1dkh s GLN 88 Cb 0.00 -2.83 -0.09 0.00 -1.64 0.00 0.00 33.01 28.45 1dkh s GLN 88 CO 0.00 -1.28 1.95 -0.11 0.50 0.00 0.00 175.29 176.34 1dkh n LEU 89 N 2.43 4.12 -0.01 3.68 -0.00 -0.45 -0.91 117.00 125.86 1dkh n LEU 89 Ca 0.20 0.92 -0.00 0.00 -0.00 0.00 0.00 56.01 57.12 1dkh n LEU 89 Cb 0.38 -1.52 -0.01 0.00 -0.00 0.00 0.00 43.42 42.26 1dkh n LEU 89 CO 0.23 0.19 -0.54 -0.67 -0.00 0.00 0.00 177.39 176.60 1dkh n ASP 90 N 7.14 4.68 -3.91 1.96 4.64 -0.87 -1.99 116.55 128.20 1dkh n ASP 90 Ca 0.20 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.52 1dkh n ASP 90 Cb 0.40 0.64 -0.08 0.00 -1.04 0.00 0.00 41.12 41.04 1dkh n ASP 90 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1dkh s SER 91 N -2.96 0.19 -0.14 1.67 1.04 -1.24 -0.97 113.70 111.29 1dkh s SER 91 Ca -0.01 -0.68 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 1dkh s SER 91 Cb 0.00 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.48 1dkh s SER 91 CO 0.05 -0.66 0.31 -0.76 0.98 0.00 0.00 173.24 173.16 1dkh s LEU 92 N -2.72 0.04 -0.03 2.42 1.02 -1.03 -0.10 118.68 118.27 1dkh s LEU 92 Ca 0.03 0.68 0.01 0.00 0.02 0.00 0.00 54.13 54.88 1dkh s LEU 92 Cb 0.04 0.96 0.01 0.00 0.02 0.00 0.00 46.19 47.22 1dkh s LEU 92 CO -0.09 -0.19 -0.05 -0.94 0.02 0.00 0.00 176.35 175.09 1dkh s SER 93 N 1.65 0.82 -0.10 2.29 1.04 -1.05 0.13 113.70 118.48 1dkh s SER 93 Ca -0.07 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 1dkh s SER 93 Cb -0.10 -0.31 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 1dkh s SER 93 CO -0.10 -0.01 -0.05 -0.36 0.98 0.00 0.00 173.24 173.69 1dkh s PHE 94 N 0.57 2.99 0.00 5.02 0.40 -0.39 -2.65 117.98 123.92 1dkh s PHE 94 Ca -0.07 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1dkh s PHE 94 Cb -0.11 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.63 1dkh s PHE 94 CO -0.00 0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.56 1dkh n GLY 95 N 2.61 1.45 3.31 4.36 0.00 -1.09 -0.54 105.19 115.28 1dkh n GLY 95 Ca -0.18 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1dkh n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dkh s ASP 96 N 0.51 2.68 -0.21 1.61 1.01 -1.06 -1.38 116.67 119.82 1dkh s ASP 96 Ca 0.00 -0.71 -0.09 0.00 0.71 0.00 0.00 52.55 52.46 1dkh s ASP 96 Cb 0.00 -0.15 0.03 0.00 1.01 0.00 0.00 42.92 43.81 1dkh s ASP 96 CO 0.00 0.07 0.18 0.61 0.21 0.00 0.00 175.17 176.24 1dkh n GLY 97 N 0.98 -4.99 3.69 0.21 0.00 0.17 -1.52 105.19 103.73 1dkh n GLY 97 Ca -0.19 1.42 -0.39 0.00 0.00 0.00 0.00 46.02 46.86 1dkh n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dkh s LEU 98 N -0.89 4.22 0.03 0.99 2.96 -1.26 0.76 118.68 125.49 1dkh s LEU 98 Ca -0.21 0.83 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1dkh s LEU 98 Cb 0.01 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1dkh s LEU 98 CO 0.77 -0.11 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.69 1dkh s SER 99 N 0.89 0.69 0.00 3.68 1.04 0.11 -4.94 113.70 115.17 1dkh s SER 99 Ca 0.27 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1dkh s SER 99 Cb -0.16 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1dkh s SER 99 CO 0.11 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1dkh n GLY 100 N 1.93 -0.42 1.55 7.32 0.00 -1.26 -0.61 105.19 113.71 1dkh n GLY 100 Ca -0.20 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1dkh n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkh n GLY 101 N 0.00 0.77 1.73 -0.02 0.00 0.41 -4.68 105.19 103.40 1dkh n GLY 101 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1dkh n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dkh n ASP 102 N 1.55 0.01 -0.23 1.61 2.03 -1.26 -4.81 116.55 115.46 1dkh n ASP 102 Ca 0.00 0.03 0.12 0.00 0.52 0.00 0.00 54.79 55.46 1dkh n ASP 102 Cb 0.45 0.02 0.18 0.00 -0.72 0.00 0.00 41.12 41.05 1dkh n ASP 102 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1dkh n THR 103 N -2.58 0.00 -3.94 5.18 -2.24 -1.26 -4.91 114.28 104.52 1dkh n THR 103 Ca 0.00 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1dkh n THR 103 Cb 0.00 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 1dkh n THR 103 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1dkh s SER 104 N -2.66 0.13 1.20 3.42 1.04 -1.26 -5.17 113.70 110.40 1dkh s SER 104 Ca 0.18 -0.82 -0.18 0.00 0.48 0.00 0.00 55.95 55.61 1dkh s SER 104 Cb 0.18 0.36 0.28 0.00 0.10 0.00 0.00 66.02 66.95 1dkh s SER 104 CO 0.62 -0.79 1.07 -2.16 0.98 0.00 0.00 173.24 172.96 1dkh s PRO 105 N -3.93 -1.21 0.24 4.02 0.04 -1.26 -1.15 135.00 131.75 1dkh s PRO 105 Ca 0.12 0.16 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 1dkh s PRO 105 Cb 0.05 -1.58 -0.08 0.00 0.04 0.00 0.00 34.50 32.93 1dkh s PRO 105 CO -0.05 -3.75 0.69 0.71 0.04 0.00 0.00 177.00 174.64 1dkh s TYR 106 N -2.82 3.55 0.06 0.56 1.51 -1.26 0.16 117.35 119.11 1dkh s TYR 106 Ca 0.69 1.26 -0.20 0.00 -1.01 0.00 0.00 57.07 57.82 1dkh s TYR 106 Cb -0.14 -2.54 0.04 0.00 -0.11 0.00 0.00 41.96 39.22 1dkh s TYR 106 CO 0.58 0.27 0.46 0.45 -1.11 0.00 0.00 175.55 176.20 1dkh s SER 107 N -1.88 -0.35 -0.18 2.29 0.15 0.22 -4.81 113.70 109.15 1dkh s SER 107 Ca 0.46 0.02 -0.11 0.00 0.70 0.00 0.00 55.95 57.02 1dkh s SER 107 Cb -0.14 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1dkh s SER 107 CO 0.20 -0.73 0.19 -0.63 1.20 0.00 0.00 173.24 173.47 1dkh s ILE 108 N -2.72 5.38 0.10 6.45 -1.09 -1.26 0.09 121.20 128.16 1dkh s ILE 108 Ca -0.04 0.31 -0.18 0.00 -2.23 0.00 0.00 60.65 58.52 1dkh s ILE 108 Cb -0.00 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 37.30 1dkh s ILE 108 CO -0.04 0.45 1.58 -0.61 -1.23 0.00 0.00 174.94 175.09 1dkh h GLN 109 N 6.45 0.50 -2.29 2.79 4.15 0.65 -3.38 115.11 123.97 1dkh h GLN 109 Ca -0.43 -0.13 -0.59 0.00 0.77 0.00 0.00 58.65 58.27 1dkh h GLN 109 Cb 1.16 -0.06 -0.40 0.00 0.21 0.00 0.00 27.48 28.39 1dkh h GLN 109 CO 0.74 0.59 -0.85 0.28 -1.93 0.00 0.00 178.83 177.66 1dkh n VAL 110 N -4.64 0.49 -1.63 2.39 0.31 -0.57 -5.00 118.33 109.68 1dkh n VAL 110 Ca -0.02 -4.40 -0.48 0.00 -0.01 0.00 0.00 64.34 59.42 1dkh n VAL 110 Cb 0.21 -1.98 -0.05 0.00 -0.91 0.00 0.00 33.84 31.11 1dkh n VAL 110 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1dkh n PRO 111 N 1.59 1.69 -0.12 5.55 -0.04 -1.26 -2.55 135.00 139.86 1dkh n PRO 111 Ca 0.25 0.61 -0.20 0.00 -0.04 0.00 0.00 63.50 64.12 1dkh n PRO 111 Cb 0.46 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 1dkh n PRO 111 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1dkh n ASP 112 N 2.90 2.03 -2.91 3.54 10.43 0.30 -4.61 116.55 128.23 1dkh n ASP 112 Ca 0.17 0.03 -0.10 0.00 2.57 0.00 0.00 54.79 57.46 1dkh n ASP 112 Cb 0.25 -0.50 0.01 0.00 1.84 0.00 0.00 41.12 42.72 1dkh n ASP 112 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1dkh s VAL 113 N -2.46 0.00 0.00 2.53 0.11 -0.45 -1.98 120.40 118.14 1dkh s VAL 113 Ca -0.32 -1.12 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1dkh s VAL 113 Cb 0.10 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.05 1dkh s VAL 113 CO 0.50 0.00 0.00 -1.54 -3.33 0.00 0.00 175.10 170.73 1dkh n SER 114 N -1.50 0.00 -4.47 3.54 3.41 -0.67 -1.27 113.62 112.67 1dkh n SER 114 Ca -0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.23 1dkh n SER 114 Cb 0.60 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.43 1dkh n SER 114 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1dkh s PHE 115 N -0.84 2.61 -0.05 7.33 0.40 0.36 -2.36 117.98 125.44 1dkh s PHE 115 Ca 0.00 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1dkh s PHE 115 Cb 0.00 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 42.03 1dkh s PHE 115 CO 0.00 0.24 -0.10 0.20 0.70 0.00 0.00 175.22 176.27 1dkh s GLY 116 N -1.27 0.63 0.00 4.36 0.00 -0.05 -2.48 107.32 108.51 1dkh s GLY 116 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1dkh s GLY 116 CO 0.04 0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.88 1dkh n GLY 117 N 3.70 1.31 0.11 0.20 0.00 -0.15 -0.25 105.19 110.12 1dkh n GLY 117 Ca -0.22 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1dkh n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dkh n LEU 118 N -0.06 0.50 -1.51 0.99 4.32 -0.77 -3.63 117.00 116.85 1dkh n LEU 118 Ca 0.00 0.66 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1dkh n LEU 118 Cb 0.12 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 1dkh n LEU 118 CO 0.00 -0.63 0.00 -3.20 -1.22 0.00 0.00 177.39 172.34 1dkh n ASN 119 N -2.10 -0.47 -4.61 -1.43 5.15 -1.19 -4.80 115.26 105.82 1dkh n ASN 119 Ca 0.01 0.23 -0.43 0.00 -0.60 0.00 0.00 54.58 53.79 1dkh n ASN 119 Cb 0.15 -0.59 -0.02 0.00 -0.53 0.00 0.00 39.78 38.79 1dkh n ASN 119 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1dkh s LEU 120 N -2.83 3.68 -0.18 1.20 1.43 -0.84 -4.91 118.68 116.22 1dkh s LEU 120 Ca 0.00 0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 53.62 1dkh s LEU 120 Cb 0.00 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 1dkh s LEU 120 CO 0.00 -1.22 0.14 -0.44 0.23 0.00 0.00 176.35 175.06 1dkh s SER 121 N 2.52 6.26 -0.09 2.29 0.01 -1.26 -1.34 113.70 122.08 1dkh s SER 121 Ca 0.49 0.29 -0.03 0.00 1.31 0.00 0.00 55.95 58.01 1dkh s SER 121 Cb -0.09 -2.09 0.04 0.00 0.21 0.00 0.00 66.02 64.09 1dkh s SER 121 CO 0.29 0.22 0.07 -0.55 0.41 0.00 0.00 173.24 173.68 1dkh s SER 122 N 0.10 1.65 0.41 2.44 0.15 -0.08 -4.76 113.70 113.60 1dkh s SER 122 Ca 0.10 -0.21 -0.15 0.00 0.70 0.00 0.00 55.95 56.39 1dkh s SER 122 Cb -0.11 -0.19 -0.08 0.00 -1.71 0.00 0.00 66.02 63.92 1dkh s SER 122 CO -0.01 -0.29 0.83 -0.76 1.20 0.00 0.00 173.24 174.22 1dkh s LEU 123 N 2.15 3.88 0.13 3.45 1.43 -1.26 0.52 118.68 128.97 1dkh s LEU 123 Ca 0.04 1.35 0.15 0.00 -1.03 0.00 0.00 54.13 54.64 1dkh s LEU 123 Cb -0.14 -4.21 0.67 0.00 0.03 0.00 0.00 46.19 42.54 1dkh s LEU 123 CO -0.05 -0.37 1.45 1.67 0.23 0.00 0.00 176.35 179.28 1dkh n GLN 124 N -0.97 0.08 -0.03 1.70 7.27 -1.26 -2.27 117.38 121.90 1dkh n GLN 124 Ca 0.04 0.43 -0.13 0.00 0.07 0.00 0.00 57.00 57.42 1dkh n GLN 124 Cb 0.54 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.50 1dkh n GLN 124 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1dkh h ALA 125 N 2.22 0.55 0.17 1.69 0.00 -1.92 -3.32 119.26 118.64 1dkh h ALA 125 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1dkh h ALA 125 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dkh h ALA 125 CO 0.00 0.69 -0.08 1.96 0.00 0.00 0.00 179.25 181.82 1dkh h GLN 126 N 0.53 -0.22 0.00 0.00 4.20 -1.86 -3.49 115.11 114.27 1dkh h GLN 126 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1dkh h GLN 126 Cb 1.17 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1dkh h GLN 126 CO 0.12 -0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.54 1dkh n GLY 127 N 0.98 -1.60 0.00 3.46 0.00 -1.19 -4.22 105.19 102.62 1dkh n GLY 127 Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1dkh n GLY 127 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1dkh n HIS 128 N -0.39 0.00 -1.23 1.61 -0.00 -1.26 0.40 115.22 114.35 1dkh n HIS 128 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1dkh n HIS 128 Cb 0.00 -0.12 0.23 0.00 -0.00 0.00 0.00 29.99 30.10 1dkh n HIS 128 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1dkh n ASP 129 N -1.94 3.55 0.00 0.26 9.92 -1.26 -4.70 116.55 122.38 1dkh n ASP 129 Ca 0.00 -3.47 0.00 0.00 -0.53 0.00 0.00 54.79 50.79 1dkh n ASP 129 Cb 0.00 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 1dkh n ASP 129 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dkh n GLY 130 N -0.79 1.14 0.82 0.44 0.00 1.32 -5.02 105.19 103.11 1dkh n GLY 130 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1dkh n GLY 130 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1dkh n VAL 131 N 0.00 0.00 0.06 1.61 3.14 -1.26 -4.82 118.33 117.05 1dkh n VAL 131 Ca 0.00 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.55 1dkh n VAL 131 Cb 0.00 0.00 0.67 0.00 -1.06 0.00 0.00 33.84 33.45 1dkh n VAL 131 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1dkh h VAL 132 N 0.00 0.80 0.06 1.55 -1.51 -1.86 0.77 116.25 116.06 1dkh h VAL 132 Ca 0.00 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1dkh h VAL 132 Cb 0.00 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1dkh h VAL 132 CO 0.00 0.00 -0.03 -0.74 -1.23 0.00 0.00 177.57 175.57 1dkh h HIS 133 N 0.01 -0.08 -0.54 5.19 6.17 -1.91 -2.71 115.15 121.29 1dkh h HIS 133 Ca 0.20 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.33 1dkh h HIS 133 Cb 0.77 0.02 -0.05 0.00 2.52 0.00 0.00 27.41 30.67 1dkh h HIS 133 CO -0.00 0.07 0.25 1.96 0.71 0.00 0.00 177.93 180.92 1dkh h GLN 134 N -0.21 0.46 0.00 5.26 4.20 0.17 0.15 115.11 125.14 1dkh h GLN 134 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1dkh h GLN 134 Cb 0.18 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1dkh h GLN 134 CO 0.01 0.30 0.00 0.28 -0.67 0.00 0.00 178.83 178.76 1dkh n VAL 135 N -4.92 0.00 -0.34 -0.54 0.31 0.12 -0.93 118.33 112.02 1dkh n VAL 135 Ca 0.06 1.31 0.20 0.00 -0.01 0.00 0.00 64.34 65.89 1dkh n VAL 135 Cb 0.18 -2.25 0.42 0.00 -0.91 0.00 0.00 33.84 31.28 1dkh n VAL 135 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1dkh h VAL 136 N 0.00 0.49 -0.20 2.52 2.07 -1.49 0.01 116.25 119.65 1dkh h VAL 136 Ca 0.00 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1dkh h VAL 136 Cb 0.00 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 1dkh h VAL 136 CO 0.00 0.09 -0.35 0.22 0.02 0.00 0.00 177.57 177.55 1dkh h TYR 137 N 0.51 0.74 0.11 1.57 3.20 -0.65 -2.23 116.97 120.22 1dkh h TYR 137 Ca 0.66 -0.26 0.02 0.00 3.14 0.00 0.00 58.73 62.29 1dkh h TYR 137 Cb 1.36 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.44 1dkh h TYR 137 CO -0.01 1.00 -0.39 0.78 -1.64 0.00 0.00 178.16 177.90 1dkh h GLY 138 N 0.26 -0.77 -0.85 1.82 0.00 0.57 -1.20 103.07 102.91 1dkh h GLY 138 Ca 0.01 0.47 0.16 0.00 0.00 0.00 0.00 47.33 47.97 1dkh h GLY 138 CO 0.08 -0.26 -0.31 1.41 0.00 0.00 0.00 176.54 177.45 1dkh h LEU 139 N -0.62 -1.15 -1.16 3.11 3.38 -1.03 1.51 115.31 119.35 1dkh h LEU 139 Ca 0.03 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1dkh h LEU 139 Cb 0.65 0.65 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1dkh h LEU 139 CO -0.24 -0.30 0.06 0.23 0.09 0.00 0.00 178.44 178.28 1dkh n MET 140 N -5.52 0.11 -0.05 1.13 2.81 -0.49 -0.46 117.12 114.65 1dkh n MET 140 Ca 0.11 0.60 0.03 0.00 -1.81 0.00 0.00 57.70 56.64 1dkh n MET 140 Cb 0.42 -1.93 0.06 0.00 -0.71 0.00 0.00 33.22 31.06 1dkh n MET 140 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1dkh n SER 141 N -2.12 2.04 -0.01 7.83 3.41 0.50 -1.97 113.62 123.31 1dkh n SER 141 Ca -0.01 -1.63 -0.00 0.00 -0.26 0.00 0.00 58.87 56.96 1dkh n SER 141 Cb 0.08 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1dkh n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dkh n GLY 142 N 0.24 0.37 3.12 5.00 0.00 0.39 -4.05 105.19 110.26 1dkh n GLY 142 Ca 0.05 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1dkh n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dkh s ASP 143 N -3.00 4.67 0.00 1.61 3.68 -1.03 -4.91 116.67 117.70 1dkh s ASP 143 Ca 0.00 -1.34 0.21 0.00 2.13 0.00 0.00 52.55 53.55 1dkh s ASP 143 Cb 0.00 -1.63 0.68 0.00 -1.45 0.00 0.00 42.92 40.52 1dkh s ASP 143 CO 0.00 -0.23 1.51 0.35 0.13 0.00 0.00 175.17 176.94 1dkh n THR 144 N 4.52 0.26 0.14 1.71 -2.24 -1.26 -3.19 114.28 114.22 1dkh n THR 144 Ca -0.13 -0.42 -0.13 0.00 -2.27 0.00 0.00 64.05 61.09 1dkh n THR 144 Cb 0.43 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 1dkh n THR 144 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1dkh h GLY 145 N 4.92 -0.48 -0.10 3.38 0.00 -1.97 -0.15 103.07 108.67 1dkh h GLY 145 Ca 0.00 0.28 0.24 0.00 0.00 0.00 0.00 47.33 47.84 1dkh h GLY 145 CO 0.00 -0.21 0.60 0.00 0.00 0.00 0.00 176.54 176.92 1dkh h ALA 146 N 0.25 1.77 0.02 3.60 0.00 -1.90 0.12 119.26 123.11 1dkh h ALA 146 Ca 0.01 0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1dkh h ALA 146 Cb 0.47 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.27 1dkh h ALA 146 CO -0.10 -0.23 -1.05 1.25 0.00 0.00 0.00 179.25 179.13 1dkh h LEU 147 N 0.62 0.78 -0.54 0.00 7.12 -1.67 -2.74 115.31 118.88 1dkh h LEU 147 Ca 0.63 -0.65 -0.15 0.00 0.13 0.00 0.00 57.88 57.84 1dkh h LEU 147 Cb 1.16 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 1dkh h LEU 147 CO -0.46 1.45 -0.50 -0.33 -0.13 0.00 0.00 178.44 178.47 1dkh h GLU 148 N 0.32 0.59 -0.03 1.25 5.08 0.43 0.14 114.58 122.36 1dkh h GLU 148 Ca -0.12 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1dkh h GLU 148 Cb 1.70 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.94 1dkh h GLU 148 CO 0.20 0.96 -0.24 1.15 -1.00 0.00 0.00 179.01 180.07 1dkh h THR 149 N 0.47 0.44 0.00 1.13 2.02 -0.89 0.76 112.91 116.83 1dkh h THR 149 Ca 0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 1dkh h THR 149 Cb 1.04 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1dkh h THR 149 CO 0.10 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.80 1dkh h ALA 150 N 0.50 1.11 -0.08 6.16 0.00 -1.21 -1.00 119.26 124.74 1dkh h ALA 150 Ca 0.07 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1dkh h ALA 150 Cb 0.46 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1dkh h ALA 150 CO -0.24 0.23 -0.67 -0.07 0.00 0.00 0.00 179.25 178.51 1dkh h LEU 151 N 0.00 0.73 -1.09 0.00 -0.00 0.55 -1.94 115.31 113.56 1dkh h LEU 151 Ca -0.00 -0.67 0.01 0.00 -0.00 0.00 0.00 57.88 57.22 1dkh h LEU 151 Cb 0.59 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.99 1dkh h LEU 151 CO 0.02 1.29 0.62 0.78 -0.00 0.00 0.00 178.44 181.15 1dkh h ASN 152 N 0.23 1.07 -0.54 -0.43 2.35 0.10 0.15 115.58 118.50 1dkh h ASN 152 Ca -0.06 -0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1dkh h ASN 152 Cb 1.32 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 39.36 1dkh h ASN 152 CO 0.14 0.77 0.16 1.23 -1.65 0.00 0.00 177.43 178.07 1dkh h GLY 153 N 1.26 0.71 1.39 2.83 0.00 -0.82 1.44 103.07 109.87 1dkh h GLY 153 Ca 0.34 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.41 1dkh h GLY 153 CO -0.08 -0.04 -0.69 -2.22 0.00 0.00 0.00 176.54 173.52 1dkh h ILE 154 N 0.32 1.32 0.00 2.60 1.08 -0.42 -3.13 117.51 119.28 1dkh h ILE 154 Ca 0.27 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 62.77 1dkh h ILE 154 Cb 0.34 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1dkh h ILE 154 CO -0.31 0.61 -0.05 0.18 -0.69 0.00 0.00 178.15 177.89 1dkh n LEU 155 N -3.91 0.72 0.07 1.44 4.77 0.39 -3.98 117.00 116.50 1dkh n LEU 155 Ca -0.05 0.54 -0.06 0.00 -0.03 0.00 0.00 56.01 56.40 1dkh n LEU 155 Cb 0.69 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1dkh n LEU 155 CO 0.50 -0.15 0.51 -2.24 -1.33 0.00 0.00 177.39 174.67 1dkh h ASP 156 N 0.00 -0.55 0.00 -1.43 2.03 0.20 -0.03 116.42 116.63 1dkh h ASP 156 Ca 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1dkh h ASP 156 Cb 0.71 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1dkh h ASP 156 CO 0.00 -0.22 0.00 0.47 -1.03 0.00 0.00 179.24 178.46 1dkh n ASP 157 N -3.51 0.00 0.00 4.15 8.00 -1.26 -0.74 116.55 123.19 1dkh n ASP 157 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1dkh n ASP 157 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1dkh n ASP 157 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1dkh n TYR 158 N -0.38 0.00 -0.79 1.24 4.02 -0.11 -5.01 117.16 116.12 1dkh n TYR 158 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1dkh n TYR 158 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1dkh n TYR 158 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dkh n GLY 159 N 0.50 0.56 3.39 2.72 0.00 0.08 -5.05 105.19 107.39 1dkh n GLY 159 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1dkh n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dkh s LEU 160 N 0.00 1.82 0.20 0.99 1.43 -0.69 -5.05 118.68 117.37 1dkh s LEU 160 Ca 0.00 -1.69 -0.12 0.00 -1.03 0.00 0.00 54.13 51.29 1dkh s LEU 160 Cb 0.00 0.23 -0.00 0.00 0.03 0.00 0.00 46.19 46.45 1dkh s LEU 160 CO 0.00 -0.98 0.38 -0.94 0.23 0.00 0.00 176.35 175.04 1dkh s SER 161 N -3.47 -0.06 0.00 2.29 1.04 -1.26 -3.67 113.70 108.58 1dkh s SER 161 Ca 0.33 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1dkh s SER 161 Cb 0.03 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1dkh s SER 161 CO 0.20 -1.00 0.00 1.33 0.98 0.00 0.00 173.24 174.76 1dkh n VAL 162 N -0.29 0.00 0.21 5.02 0.24 -1.26 -1.10 118.33 121.15 1dkh n VAL 162 Ca -0.06 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.30 1dkh n VAL 162 Cb 0.63 -0.48 0.11 0.00 -1.47 0.00 0.00 33.84 32.62 1dkh n VAL 162 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1dkh n ASN 163 N -0.45 2.49 -2.98 -1.34 4.13 -1.26 0.32 115.26 116.16 1dkh n ASN 163 Ca 0.00 -1.73 -0.09 0.00 1.68 0.00 0.00 54.58 54.44 1dkh n ASN 163 Cb 0.00 -0.11 0.04 0.00 -1.54 0.00 0.00 39.78 38.17 1dkh n ASN 163 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1dkh n SER 164 N 0.69 0.54 -4.94 6.41 7.64 -0.26 -4.80 113.62 118.90 1dkh n SER 164 Ca 0.10 -1.45 -0.26 0.00 1.01 0.00 0.00 58.87 58.27 1dkh n SER 164 Cb 0.38 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1dkh n SER 164 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1dkh s THR 165 N -0.95 5.29 0.16 0.44 -4.23 -1.26 -2.55 115.64 112.54 1dkh s THR 165 Ca 0.25 -0.60 -0.16 0.00 -1.18 0.00 0.00 61.69 60.00 1dkh s THR 165 Cb -0.01 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.14 1dkh s THR 165 CO 0.16 -0.12 1.71 -0.26 -0.54 0.00 0.00 174.62 175.58 1dkh h PHE 166 N 2.09 0.02 0.01 3.99 -1.00 -1.07 0.71 116.94 121.70 1dkh h PHE 166 Ca -0.48 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.33 1dkh h PHE 166 Cb 1.19 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.77 1dkh h PHE 166 CO 0.54 -0.04 -0.32 -0.44 -1.61 0.00 0.00 178.31 176.44 1dkh h ASP 167 N 0.13 -0.97 -0.91 2.17 3.32 0.57 0.17 116.42 120.89 1dkh h ASP 167 Ca 0.18 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.42 1dkh h ASP 167 Cb 0.24 0.37 -0.11 0.00 0.22 0.00 0.00 39.33 40.04 1dkh h ASP 167 CO -0.28 -0.31 -0.53 0.00 -1.72 0.00 0.00 179.24 176.39 1dkh n GLN 168 N -4.24 -0.40 -0.27 3.56 6.02 -0.01 -0.04 117.38 122.00 1dkh n GLN 168 Ca -0.04 1.38 0.06 0.00 -0.01 0.00 0.00 57.00 58.39 1dkh n GLN 168 Cb 0.24 -2.03 0.20 0.00 1.02 0.00 0.00 30.24 29.67 1dkh n GLN 168 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1dkh h VAL 169 N 0.00 0.69 0.20 5.09 2.07 0.99 -3.10 116.25 122.19 1dkh h VAL 169 Ca 0.15 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1dkh h VAL 169 Cb 0.38 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1dkh h VAL 169 CO -0.86 0.10 -0.29 0.00 0.02 0.00 0.00 177.57 176.54 1dkh h ALA 170 N 1.55 -0.91 -0.62 1.67 0.00 0.25 -3.12 119.26 118.09 1dkh h ALA 170 Ca 0.44 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1dkh h ALA 170 Cb 0.64 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1dkh h ALA 170 CO -0.38 -0.95 -0.38 0.00 0.00 0.00 0.00 179.25 177.54 1dkh h ALA 171 N -1.16 -0.36 0.00 0.00 0.00 -1.42 0.51 119.26 116.82 1dkh h ALA 171 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dkh h ALA 171 Cb 0.46 1.23 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1dkh h ALA 171 CO -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.53 1dkh n ALA 172 N -3.15 0.84 0.05 0.00 0.00 -1.18 -2.80 120.51 114.27 1dkh n ALA 172 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1dkh n ALA 172 Cb 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1dkh n ALA 172 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1dkh n THR 173 N 0.44 0.12 1.36 0.00 -1.04 0.18 -5.06 114.28 110.28 1dkh n THR 173 Ca 0.00 0.04 0.13 0.00 -2.04 0.00 0.00 64.05 62.19 1dkh n THR 173 Cb 0.00 -0.76 0.41 0.00 -1.82 0.00 0.00 70.33 68.16 1dkh n THR 173 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43