#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz n ASP 12 N 0.00 0.00 -2.65 1.08 9.92 -1.26 -4.60 116.55 119.04 3hkz n ASP 12 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3hkz n ASP 12 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3hkz n ASP 12 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hkz n LEU 13 N 0.00 0.00 0.00 0.64 4.77 -1.26 -4.88 117.00 116.27 3hkz n LEU 13 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hkz n LEU 13 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hkz n LEU 13 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.47 3hkz n HIS 14 N -0.57 0.00 0.00 -1.77 8.25 -1.26 -3.88 115.22 115.99 3hkz n HIS 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hkz n HIS 14 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hkz n HIS 14 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 3hkz n PHE 15 N 0.00 0.00 0.00 4.41 1.16 -1.26 -0.80 117.46 120.97 3hkz n PHE 15 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3hkz n PHE 15 Cb 0.00 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 37.85 3hkz n PHE 15 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3hkz n ASN 16 N -0.32 0.00 0.09 5.98 4.13 -1.26 0.14 115.26 124.02 3hkz n ASN 16 Ca 0.00 0.63 0.20 0.00 1.68 0.00 0.00 54.58 57.09 3hkz n ASN 16 Cb 0.00 -0.13 0.68 0.00 -1.54 0.00 0.00 39.78 38.79 3hkz n ASN 16 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3hkz h GLU 17 N 0.00 0.00 0.07 3.52 5.08 -1.08 0.24 114.58 122.41 3hkz h GLU 17 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3hkz h GLU 17 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3hkz h GLU 17 CO 0.00 0.00 -2.20 0.28 -1.00 0.00 0.00 179.01 176.09 3hkz n VAL 18 N -3.46 1.66 0.00 3.13 0.31 -1.12 -4.32 118.33 114.52 3hkz n VAL 18 Ca 0.08 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 3hkz n VAL 18 Cb 0.74 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 3hkz n VAL 18 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3hkz n PHE 19 N -3.40 0.00 0.00 3.52 7.35 0.12 -0.55 117.46 124.50 3hkz n PHE 19 Ca -0.38 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.31 3hkz n PHE 19 Cb 1.02 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.72 3hkz n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3hkz n ILE 20 N -0.97 0.00 0.02 -2.13 2.08 -0.78 -0.49 119.36 117.09 3hkz n ILE 20 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 3hkz n ILE 20 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 38.76 3hkz n ILE 20 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 3hkz h SER 21 N 0.00 0.00 0.23 4.38 4.64 -1.73 -2.77 113.55 118.30 3hkz h SER 21 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3hkz h SER 21 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3hkz h SER 21 CO 0.00 0.97 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.68 3hkz h LEU 22 N 0.00 0.00 -4.78 5.97 3.38 0.18 -2.85 115.31 117.20 3hkz h LEU 22 Ca -0.16 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.10 3hkz h LEU 22 Cb 1.88 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 42.31 3hkz h LEU 22 CO 0.10 0.18 0.44 1.87 0.09 0.00 0.00 178.44 181.12 3hkz n TRP 23 N -4.15 3.13 -0.05 1.13 -0.00 -0.02 -4.17 117.44 113.31 3hkz n TRP 23 Ca -0.02 -2.61 0.02 0.00 -0.00 0.00 0.00 57.50 54.90 3hkz n TRP 23 Cb 0.26 -0.82 -0.16 0.00 -0.00 0.00 0.00 31.31 30.58 3hkz n TRP 23 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 3hkz n GLN 24 N -0.54 0.70 -1.49 5.87 6.02 -1.08 -4.81 117.38 122.06 3hkz n GLN 24 Ca 0.49 -0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 57.24 3hkz n GLN 24 Cb 0.40 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 3hkz n GLN 24 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3hkz n ASN 25 N -2.44 0.83 -2.33 1.08 3.02 -1.26 -4.71 115.26 109.46 3hkz n ASN 25 Ca -0.15 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.12 3hkz n ASN 25 Cb 0.79 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3hkz n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hkz n ARG 26 N 7.62 -0.81 -1.32 3.52 3.00 -1.26 -4.93 116.66 122.48 3hkz n ARG 26 Ca 0.35 0.85 0.00 0.00 -0.01 0.00 0.00 57.85 59.04 3hkz n ARG 26 Cb 0.47 -0.63 0.00 0.00 0.00 0.00 0.00 32.46 32.30 3hkz n ARG 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hkz n LEU 27 N 1.93 -3.50 -4.74 0.55 4.32 -1.26 -5.02 117.00 109.29 3hkz n LEU 27 Ca 0.00 1.00 -0.32 0.00 -0.02 0.00 0.00 56.01 56.67 3hkz n LEU 27 Cb 0.07 -1.74 0.11 0.00 -1.62 0.00 0.00 43.42 40.24 3hkz n LEU 27 CO 0.00 -0.86 0.71 0.42 -1.22 0.00 0.00 177.39 176.44 3hkz s THR 28 N -0.19 2.84 0.39 -5.08 -4.23 -1.26 -4.81 115.64 103.30 3hkz s THR 28 Ca 0.00 0.30 0.21 0.00 -1.18 0.00 0.00 61.69 61.02 3hkz s THR 28 Cb 0.00 -2.67 0.39 0.00 1.34 0.00 0.00 72.50 71.57 3hkz s THR 28 CO 0.00 -0.33 1.66 0.03 -0.54 0.00 0.00 174.62 175.44 3hkz h ARG 29 N -1.10 0.22 0.05 3.99 3.08 -2.00 -1.87 114.38 116.75 3hkz h ARG 29 Ca -0.44 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.50 3hkz h ARG 29 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3hkz h ARG 29 CO 0.49 0.14 -0.44 1.88 -1.07 0.00 0.00 179.97 180.97 3hkz h TYR 30 N 0.22 0.21 -0.85 3.04 -1.99 -2.00 -3.03 116.97 112.57 3hkz h TYR 30 Ca 0.75 -0.15 0.21 0.00 2.00 0.00 0.00 58.73 61.54 3hkz h TYR 30 Cb 2.01 -0.01 -0.13 0.00 2.00 0.00 0.00 36.73 40.61 3hkz h TYR 30 CO -0.01 1.17 0.27 0.93 -0.00 0.00 0.00 178.16 180.52 3hkz h GLU 31 N -0.75 0.27 -0.33 4.88 5.08 -1.83 0.16 114.58 122.07 3hkz h GLU 31 Ca -0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3hkz h GLU 31 Cb 1.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3hkz h GLU 31 CO 0.04 0.18 0.15 0.82 -1.00 0.00 0.00 179.01 179.20 3hkz h ILE 32 N 0.28 1.17 0.45 3.13 2.04 -1.39 -3.10 117.51 120.09 3hkz h ILE 32 Ca 0.52 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3hkz h ILE 32 Cb 1.01 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3hkz h ILE 32 CO -0.59 0.18 -0.21 0.00 0.00 0.00 0.00 178.15 177.53 3hkz h ALA 33 N 1.00 -1.08 -0.03 1.87 0.00 -1.26 -3.15 119.26 116.60 3hkz h ALA 33 Ca 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hkz h ALA 33 Cb 0.15 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hkz h ALA 33 CO -0.01 -1.03 0.59 -2.13 0.00 0.00 0.00 179.25 176.67 3hkz n ARG 34 N -3.73 0.02 -0.13 0.00 3.00 0.50 0.47 116.66 116.79 3hkz n ARG 34 Ca -0.07 0.56 -0.24 0.00 -0.00 0.00 0.00 57.85 58.09 3hkz n ARG 34 Cb 0.24 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.09 3hkz n ARG 34 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3hkz n VAL 35 N -1.71 1.51 0.13 5.15 0.24 -1.18 -3.31 118.33 119.16 3hkz n VAL 35 Ca 0.01 -0.48 0.20 0.00 -2.04 0.00 0.00 64.34 62.02 3hkz n VAL 35 Cb 0.60 -1.65 0.76 0.00 -1.47 0.00 0.00 33.84 32.08 3hkz n VAL 35 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3hkz h ILE 36 N -0.50 0.35 -0.38 1.34 1.08 0.06 0.51 117.51 119.97 3hkz h ILE 36 Ca -0.64 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.82 3hkz h ILE 36 Cb 1.76 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 3hkz h ILE 36 CO -0.26 0.00 0.21 0.28 -0.69 0.00 0.00 178.15 177.69 3hkz h SER 37 N 0.00 0.47 0.00 1.72 0.02 -0.29 -2.52 113.55 112.95 3hkz h SER 37 Ca 0.17 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3hkz h SER 37 Cb 0.98 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3hkz h SER 37 CO -0.00 0.42 0.00 0.00 -1.14 0.00 0.00 176.83 176.11 3hkz n ALA 38 N -2.25 -0.05 0.07 3.77 0.00 0.16 -3.54 120.51 118.68 3hkz n ALA 38 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3hkz n ALA 38 Cb 0.08 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.65 3hkz n ALA 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hkz n ARG 39 N -1.69 0.03 0.07 0.00 3.00 0.01 0.18 116.66 118.27 3hkz n ARG 39 Ca 0.00 0.36 -0.22 0.00 -0.00 0.00 0.00 57.85 58.00 3hkz n ARG 39 Cb 0.00 -1.92 -0.15 0.00 0.00 0.00 0.00 32.46 30.39 3hkz n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hkz h ALA 40 N 0.93 0.18 -0.72 5.13 0.00 -1.57 -3.05 119.26 120.15 3hkz h ALA 40 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 3hkz h ALA 40 Cb 0.64 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hkz h ALA 40 CO 0.00 1.05 0.00 -0.11 0.00 0.00 0.00 179.25 180.19 3hkz n LEU 41 N -3.56 0.18 -0.03 0.00 7.94 0.48 -2.60 117.00 119.40 3hkz n LEU 41 Ca -0.23 0.76 0.03 0.00 -1.11 0.00 0.00 56.01 55.46 3hkz n LEU 41 Cb 1.07 -0.38 0.05 0.00 0.53 0.00 0.00 43.42 44.69 3hkz n LEU 41 CO 0.51 -0.38 0.10 0.00 -1.11 0.00 0.00 177.39 176.52 3hkz n GLN 42 N -1.64 -0.01 0.09 1.96 3.00 -0.33 0.00 117.38 120.46 3hkz n GLN 42 Ca 0.00 0.15 -0.04 0.00 -0.01 0.00 0.00 57.00 57.09 3hkz n GLN 42 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 30.24 29.96 3hkz n GLN 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3hkz h LEU 43 N 0.00 -0.25 0.00 1.08 3.38 -1.55 -3.00 115.31 114.97 3hkz h LEU 43 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hkz h LEU 43 Cb 0.21 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hkz h LEU 43 CO -0.09 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.50 3hkz n ALA 44 N -2.50 1.31 -1.37 1.53 0.00 0.10 -1.89 120.51 117.68 3hkz n ALA 44 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 3hkz n ALA 44 Cb 0.12 -0.87 0.15 0.00 0.00 0.00 0.00 19.45 18.85 3hkz n ALA 44 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hkz n MET 45 N -0.76 2.31 0.00 0.00 2.81 -0.23 -5.04 117.12 116.21 3hkz n MET 45 Ca 0.00 -3.20 0.00 0.00 -1.81 0.00 0.00 57.70 52.69 3hkz n MET 45 Cb 0.00 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 30.40 3hkz n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hkz n GLY 46 N -1.07 2.53 1.59 3.03 0.00 -0.79 -4.96 105.19 105.52 3hkz n GLY 46 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3hkz n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkz n ALA 47 N 9.85 -1.08 -1.86 4.61 0.00 -1.26 -4.52 120.51 126.26 3hkz n ALA 47 Ca 0.00 0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 3hkz n ALA 47 Cb 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 3hkz n ALA 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hkz s PRO 48 N -0.04 3.79 -1.25 0.00 0.04 -1.26 -4.71 135.00 131.56 3hkz s PRO 48 Ca 0.00 0.86 -0.18 0.00 0.04 0.00 0.00 61.00 61.72 3hkz s PRO 48 Cb 0.00 -2.11 0.09 0.00 0.04 0.00 0.00 34.50 32.51 3hkz s PRO 48 CO 0.00 -0.41 1.65 0.00 0.04 0.00 0.00 177.00 178.29 3hkz s ALA 49 N -2.88 3.38 0.06 8.56 0.00 -1.26 -4.96 121.76 124.65 3hkz s ALA 49 Ca 0.57 -2.93 -0.26 0.00 0.00 0.00 0.00 51.96 49.34 3hkz s ALA 49 Cb -0.10 -4.54 -0.14 0.00 0.00 0.00 0.00 23.12 18.34 3hkz s ALA 49 CO 0.42 -3.24 0.62 1.28 0.00 0.00 0.00 175.76 174.84 3hkz n LEU 50 N 7.96 -0.37 0.00 0.00 4.32 -1.26 -2.20 117.00 125.46 3hkz n LEU 50 Ca 0.45 0.83 0.00 0.00 -0.02 0.00 0.00 56.01 57.27 3hkz n LEU 50 Cb 0.46 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 3hkz n LEU 50 CO 0.73 -1.70 0.00 -0.38 -1.22 0.00 0.00 177.39 174.82 3hkz n ILE 51 N 0.65 0.00 -2.73 -0.08 5.41 -1.26 -4.78 119.36 116.57 3hkz n ILE 51 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.85 3hkz n ILE 51 Cb 0.11 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.06 3hkz n ILE 51 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3hkz n ASP 52 N 0.00 -2.79 -4.75 4.38 2.03 -0.93 -4.94 116.55 109.55 3hkz n ASP 52 Ca 0.00 -2.38 -0.37 0.00 0.52 0.00 0.00 54.79 52.56 3hkz n ASP 52 Cb 0.00 1.45 0.04 0.00 -0.72 0.00 0.00 41.12 41.88 3hkz n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hkz s ILE 53 N 0.85 2.42 -0.44 5.18 1.01 -1.26 -4.91 121.20 124.06 3hkz s ILE 53 Ca 0.28 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.28 3hkz s ILE 53 Cb 0.06 -3.13 0.21 0.00 0.01 0.00 0.00 42.46 39.61 3hkz s ILE 53 CO -0.08 -0.03 0.54 -3.20 0.00 0.00 0.00 174.94 172.16 3hkz n ASN 54 N -1.32 -1.17 -3.74 3.58 2.85 -1.26 -4.98 115.26 109.22 3hkz n ASN 54 Ca 0.12 -2.69 -0.24 0.00 -0.11 0.00 0.00 54.58 51.66 3hkz n ASN 54 Cb 0.48 0.17 -0.17 0.00 1.24 0.00 0.00 39.78 41.49 3hkz n ASN 54 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3hkz s ASN 55 N -0.39 1.97 -1.46 1.20 0.01 -1.26 -4.76 114.94 110.25 3hkz s ASN 55 Ca 0.33 -0.31 -0.05 0.00 -0.71 0.00 0.00 52.86 52.11 3hkz s ASN 55 Cb 0.10 -0.44 0.02 0.00 0.41 0.00 0.00 41.25 41.34 3hkz s ASN 55 CO -0.15 -0.24 0.49 -0.11 -1.51 0.00 0.00 177.10 175.57 3hkz n LEU 56 N 5.15 -2.19 0.00 0.60 7.94 -1.26 -4.89 117.00 122.34 3hkz n LEU 56 Ca -0.07 -0.26 0.00 0.00 -1.11 0.00 0.00 56.01 54.56 3hkz n LEU 56 Cb 0.49 -2.67 0.00 0.00 0.53 0.00 0.00 43.42 41.77 3hkz n LEU 56 CO 0.11 0.15 0.00 -0.24 -1.11 0.00 0.00 177.39 176.30 3hkz n SER 57 N -2.37 0.00 0.00 1.96 2.88 -1.26 -5.12 113.62 109.71 3hkz n SER 57 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3hkz n SER 57 Cb 0.60 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 3hkz n SER 57 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3hkz n SER 58 N -2.25 0.00 0.00 -3.46 7.64 -1.26 -5.14 113.62 109.15 3hkz n SER 58 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hkz n SER 58 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hkz n SER 58 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3hkz n THR 59 N 0.00 0.00 -2.85 0.44 -1.04 -1.26 -5.16 114.28 104.40 3hkz n THR 59 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 3hkz n THR 59 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 3hkz n THR 59 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hkz s ASP 60 N 0.00 4.64 0.00 8.00 -0.00 -1.26 -4.50 116.67 123.55 3hkz s ASP 60 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 52.55 51.82 3hkz s ASP 60 Cb 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 42.92 43.27 3hkz s ASP 60 CO 0.00 -1.68 0.00 0.52 -0.00 0.00 0.00 175.17 174.01 3hkz n VAL 61 N -2.57 0.00 0.00 -1.27 0.31 -1.26 -4.42 118.33 109.12 3hkz n VAL 61 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 3hkz n VAL 61 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 3hkz n VAL 61 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3hkz n ILE 62 N 0.00 0.00 0.31 2.52 2.08 -1.26 -3.69 119.36 119.32 3hkz n ILE 62 Ca 0.00 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.35 3hkz n ILE 62 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.84 3hkz n ILE 62 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3hkz n SER 63 N 0.13 0.94 -1.66 4.38 3.41 -1.26 -3.83 113.62 115.73 3hkz n SER 63 Ca 0.00 -0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 57.94 3hkz n SER 63 Cb 0.00 1.08 0.06 0.00 -0.26 0.00 0.00 64.21 65.09 3hkz n SER 63 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hkz n ILE 64 N -1.32 2.24 -0.03 -1.33 -5.35 -1.24 -1.51 119.36 110.82 3hkz n ILE 64 Ca 0.01 -1.11 0.04 0.00 -0.27 0.00 0.00 62.75 61.42 3hkz n ILE 64 Cb 0.15 -0.99 -0.12 0.00 -1.74 0.00 0.00 39.64 36.94 3hkz n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hkz n ALA 65 N 0.03 2.31 -0.07 -1.28 0.00 -1.25 -4.47 120.51 115.77 3hkz n ALA 65 Ca 0.27 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.96 3hkz n ALA 65 Cb 0.85 -0.40 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 3hkz n ALA 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hkz h GLU 66 N 0.00 0.05 0.00 0.00 5.08 -1.50 0.54 114.58 118.75 3hkz h GLU 66 Ca -0.12 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3hkz h GLU 66 Cb 1.08 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3hkz h GLU 66 CO 0.01 1.04 0.00 -1.91 -1.00 0.00 0.00 179.01 177.15 3hkz n GLU 67 N -4.40 0.15 -0.02 2.33 0.00 -1.12 0.84 120.64 118.42 3hkz n GLU 67 Ca -0.23 0.42 0.09 0.00 0.00 0.00 0.00 57.16 57.44 3hkz n GLU 67 Cb 0.65 -1.81 -0.17 0.00 0.00 0.00 0.00 31.44 30.12 3hkz n GLU 67 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 3hkz n GLU 68 N -2.09 0.66 -0.07 5.31 0.28 -1.22 -2.78 120.64 120.73 3hkz n GLU 68 Ca 0.02 -0.17 -0.12 0.00 -0.16 0.00 0.00 57.16 56.73 3hkz n GLU 68 Cb 0.19 -1.53 -0.05 0.00 1.43 0.00 0.00 31.44 31.48 3hkz n GLU 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3hkz h PHE 69 N 0.00 0.43 0.00 -1.84 3.57 0.13 -3.11 116.94 116.12 3hkz h PHE 69 Ca -0.06 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.35 3hkz h PHE 69 Cb 1.15 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3hkz h PHE 69 CO 0.00 0.62 0.00 0.54 -2.23 0.00 0.00 178.31 177.24 3hkz n ARG 70 N -4.64 0.00 0.13 1.11 1.74 0.25 -2.39 116.66 112.86 3hkz n ARG 70 Ca -0.04 0.64 0.10 0.00 -0.77 0.00 0.00 57.85 57.78 3hkz n ARG 70 Cb 0.27 -1.36 0.16 0.00 -1.02 0.00 0.00 32.46 30.50 3hkz n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3hkz n ARG 71 N -2.06 0.02 -1.39 5.56 3.00 -1.12 -4.71 116.66 115.96 3hkz n ARG 71 Ca 0.00 0.97 -0.02 0.00 -0.00 0.00 0.00 57.85 58.80 3hkz n ARG 71 Cb 0.00 -2.54 -0.01 0.00 0.00 0.00 0.00 32.46 29.91 3hkz n ARG 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hkz n GLY 72 N -1.58 0.46 0.12 5.14 0.00 -1.01 -4.97 105.19 103.36 3hkz n GLY 72 Ca 0.09 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 3hkz n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hkz n VAL 73 N -3.29 1.54 -1.64 1.61 0.24 -1.21 -4.89 118.33 110.69 3hkz n VAL 73 Ca -0.02 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.34 61.15 3hkz n VAL 73 Cb 0.22 -1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 3hkz n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hkz n LEU 74 N -3.14 3.89 -1.82 1.34 -0.00 -1.25 -4.84 117.00 111.18 3hkz n LEU 74 Ca -0.35 0.73 -0.11 0.00 -0.00 0.00 0.00 56.01 56.27 3hkz n LEU 74 Cb 1.06 -1.52 -0.01 0.00 -0.00 0.00 0.00 43.42 42.94 3hkz n LEU 74 CO 0.37 -0.04 1.22 -0.81 -0.00 0.00 0.00 177.39 178.13 3hkz n PRO 75 N 7.80 1.59 -3.17 1.47 -0.05 -1.26 -4.83 135.00 136.55 3hkz n PRO 75 Ca 0.23 -0.99 -0.43 0.00 -0.05 0.00 0.00 63.50 62.26 3hkz n PRO 75 Cb 0.41 -1.48 -0.07 0.00 -0.05 0.00 0.00 33.50 32.30 3hkz n PRO 75 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3hkz s ILE 76 N -1.02 4.91 0.22 0.52 1.01 -1.26 -4.98 121.20 120.60 3hkz s ILE 76 Ca 0.27 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 3hkz s ILE 76 Cb 0.18 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 3hkz s ILE 76 CO -0.02 -0.51 1.13 -0.89 0.00 0.00 0.00 174.94 174.64 3hkz s THR 77 N 2.62 3.62 -0.15 2.92 2.01 -1.24 -4.54 115.64 120.87 3hkz s THR 77 Ca 0.20 1.48 -0.10 0.00 0.31 0.00 0.00 61.69 63.58 3hkz s THR 77 Cb -0.15 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 3hkz s THR 77 CO 0.17 0.29 0.18 -0.63 -0.69 0.00 0.00 174.62 173.95 3hkz s ILE 78 N -0.59 5.40 0.22 1.82 1.09 -1.14 -4.99 121.20 123.01 3hkz s ILE 78 Ca 0.48 0.31 0.05 0.00 -1.10 0.00 0.00 60.65 60.40 3hkz s ILE 78 Cb -0.31 -3.50 -0.03 0.00 -1.06 0.00 0.00 42.46 37.56 3hkz s ILE 78 CO 0.38 0.50 0.25 -0.13 -0.10 0.00 0.00 174.94 175.83 3hkz s ARG 79 N -0.15 3.14 -0.44 2.79 0.52 -1.26 -2.57 118.95 120.98 3hkz s ARG 79 Ca 0.13 -0.88 0.05 0.00 -0.52 0.00 0.00 55.73 54.52 3hkz s ARG 79 Cb -0.12 -2.73 0.19 0.00 0.52 0.00 0.00 34.95 32.81 3hkz s ARG 79 CO 0.02 0.44 0.49 0.54 0.02 0.00 0.00 175.30 176.81 3hkz n ARG 80 N -1.02 0.38 -1.99 3.54 1.74 0.56 -4.97 116.66 114.90 3hkz n ARG 80 Ca -0.08 -2.82 -0.43 0.00 -0.77 0.00 0.00 57.85 53.75 3hkz n ARG 80 Cb 0.57 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3hkz n ARG 80 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3hkz s ARG 81 N 0.11 3.39 0.67 5.56 1.70 -1.26 -2.74 118.95 126.37 3hkz s ARG 81 Ca 0.33 1.50 -0.07 0.00 -0.47 0.00 0.00 55.73 57.01 3hkz s ARG 81 Cb 0.06 -4.19 0.04 0.00 -0.57 0.00 0.00 34.95 30.29 3hkz s ARG 81 CO -0.15 -1.80 0.99 -0.51 -1.08 0.00 0.00 175.30 172.75 3hkz s LEU 82 N 6.74 2.96 0.62 -1.89 1.43 -0.66 -4.93 118.68 122.95 3hkz s LEU 82 Ca 0.80 0.63 0.40 0.00 -1.03 0.00 0.00 54.13 54.94 3hkz s LEU 82 Cb -0.23 -3.35 2.03 0.00 0.03 0.00 0.00 46.19 44.66 3hkz s LEU 82 CO 0.34 -1.40 2.23 1.55 0.23 0.00 0.00 176.35 179.30 3hkz h PRO 83 N -0.48 0.00 -1.52 1.29 0.13 -1.93 -2.46 132.00 127.02 3hkz h PRO 83 Ca -0.45 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.13 3hkz h PRO 83 Cb 1.29 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 3hkz h PRO 83 CO 0.61 0.00 1.07 -0.91 -0.23 0.00 0.00 178.00 178.55 3hkz h ASN 84 N 0.00 0.08 0.00 1.44 2.35 -1.98 -3.44 115.58 114.03 3hkz h ASN 84 Ca -0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hkz h ASN 84 Cb 0.19 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3hkz h ASN 84 CO 0.00 -0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.36 3hkz n GLY 85 N -1.76 0.69 3.59 2.83 0.00 -0.93 -5.02 105.19 104.59 3hkz n GLY 85 Ca 0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 3hkz n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hkz s LYS 86 N -0.19 3.91 -0.81 1.61 2.47 -1.26 -4.95 119.74 120.52 3hkz s LYS 86 Ca 0.00 -0.32 -0.03 0.00 -1.56 0.00 0.00 55.97 54.06 3hkz s LYS 86 Cb 0.00 -3.67 0.20 0.00 -1.46 0.00 0.00 37.83 32.90 3hkz s LYS 86 CO 0.00 -0.21 0.68 0.42 0.16 0.00 0.00 175.35 176.40 3hkz s ILE 87 N 1.78 4.24 0.19 5.43 1.09 -1.26 -1.66 121.20 131.01 3hkz s ILE 87 Ca 0.07 -3.53 -0.33 0.00 -1.10 0.00 0.00 60.65 55.77 3hkz s ILE 87 Cb -0.16 -3.67 -0.13 0.00 -1.06 0.00 0.00 42.46 37.44 3hkz s ILE 87 CO 0.11 -1.02 1.57 -0.38 -0.10 0.00 0.00 174.94 175.12 3hkz n ILE 88 N 2.75 0.25 -3.78 2.92 2.08 -1.11 -4.71 119.36 117.76 3hkz n ILE 88 Ca 0.17 -0.06 -0.28 0.00 0.56 0.00 0.00 62.75 63.14 3hkz n ILE 88 Cb 0.38 -1.63 -0.16 0.00 -0.75 0.00 0.00 39.64 37.47 3hkz n ILE 88 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 3hkz s LEU 89 N 0.70 1.49 -0.01 1.39 0.05 -1.26 -0.32 118.68 120.72 3hkz s LEU 89 Ca 0.75 -0.92 -0.02 0.00 0.05 0.00 0.00 54.13 54.00 3hkz s LEU 89 Cb -0.63 -0.72 -0.04 0.00 -2.05 0.00 0.00 46.19 42.75 3hkz s LEU 89 CO 0.40 -0.30 0.14 -1.48 -0.55 0.00 0.00 176.35 174.56 3hkz s LEU 90 N 1.76 4.15 0.00 1.48 2.34 -1.06 -4.98 118.68 122.37 3hkz s LEU 90 Ca -0.02 0.25 0.00 0.00 0.06 0.00 0.00 54.13 54.43 3hkz s LEU 90 Cb -0.17 -2.45 0.00 0.00 -0.56 0.00 0.00 46.19 43.01 3hkz s LEU 90 CO -0.08 0.27 0.28 -1.54 -1.06 0.00 0.00 176.35 174.21 3hkz n SER 91 N 1.06 0.00 0.00 1.48 3.41 -1.26 -2.86 113.62 115.45 3hkz n SER 91 Ca -0.12 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3hkz n SER 91 Cb 0.53 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hkz n SER 91 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77