#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz s ASP 12 N 0.00 6.50 -0.36 1.08 1.11 -1.26 -3.85 116.67 119.90 3hkz s ASP 12 Ca 0.00 2.61 -0.01 0.00 0.18 0.00 0.00 52.55 55.33 3hkz s ASP 12 Cb 0.00 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 3hkz s ASP 12 CO 0.00 -0.98 0.31 0.18 1.18 0.00 0.00 175.17 175.86 3hkz n LEU 13 N 6.25 -2.98 0.16 1.23 4.77 -1.26 -4.99 117.00 120.17 3hkz n LEU 13 Ca 0.18 -0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 3hkz n LEU 13 Cb 0.40 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.06 3hkz n LEU 13 CO 0.65 0.07 0.51 0.45 -1.33 0.00 0.00 177.39 177.74 3hkz h HIS 14 N -0.46 -0.81 -0.27 -1.77 3.86 -2.02 -3.33 115.15 110.36 3hkz h HIS 14 Ca -0.20 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.07 3hkz h HIS 14 Cb 1.10 0.32 -0.05 0.00 1.06 0.00 0.00 27.41 29.84 3hkz h HIS 14 CO 0.12 -0.38 -0.05 0.27 0.86 0.00 0.00 177.93 178.75 3hkz h PHE 15 N -0.56 -0.10 0.50 2.45 -5.15 -1.94 -1.66 116.94 110.48 3hkz h PHE 15 Ca -0.03 0.02 -0.02 0.00 -0.20 0.00 0.00 57.97 57.74 3hkz h PHE 15 Cb 0.49 0.09 0.00 0.00 0.22 0.00 0.00 35.95 36.75 3hkz h PHE 15 CO -0.20 -0.10 -0.28 -0.91 -2.00 0.00 0.00 178.31 174.83 3hkz h ASN 16 N 0.02 -0.68 -0.86 -0.68 4.21 -1.99 0.42 115.58 116.02 3hkz h ASN 16 Ca 0.13 0.03 0.22 0.00 1.21 0.00 0.00 56.30 57.89 3hkz h ASN 16 Cb 0.19 0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 3hkz h ASN 16 CO -0.26 -0.44 0.59 -0.33 -1.29 0.00 0.00 177.43 175.70 3hkz h GLU 17 N -0.71 0.21 -0.31 0.81 5.08 -1.65 0.61 114.58 118.62 3hkz h GLU 17 Ca -0.07 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3hkz h GLU 17 Cb 0.56 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3hkz h GLU 17 CO 0.09 0.14 -0.02 0.28 -1.00 0.00 0.00 179.01 178.50 3hkz h VAL 18 N 0.22 1.26 0.00 3.13 2.07 -0.81 -3.30 116.25 118.82 3hkz h VAL 18 Ca 0.43 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3hkz h VAL 18 Cb 1.36 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3hkz h VAL 18 CO -0.10 0.32 0.00 0.33 0.02 0.00 0.00 177.57 178.14 3hkz n PHE 19 N -4.53 0.00 -0.37 1.57 -0.00 0.21 -2.26 117.46 112.08 3hkz n PHE 19 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.33 3hkz n PHE 19 Cb 0.28 -0.49 -0.09 0.00 -0.00 0.00 0.00 39.48 39.18 3hkz n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3hkz n ILE 20 N -1.97 -0.60 -0.06 -2.13 2.08 -0.72 -0.28 119.36 115.68 3hkz n ILE 20 Ca 0.00 2.18 -0.04 0.00 0.56 0.00 0.00 62.75 65.45 3hkz n ILE 20 Cb 0.00 -2.70 -0.03 0.00 -0.75 0.00 0.00 39.64 36.16 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 -0.58 -1.42 4.38 4.64 -1.68 0.40 113.55 119.29 3hkz h SER 21 Ca 0.14 0.08 0.42 0.00 -0.47 0.00 0.00 61.79 61.96 3hkz h SER 21 Cb 0.36 0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 62.61 3hkz h SER 21 CO -0.83 -0.11 0.99 -0.07 -0.87 0.00 0.00 176.83 175.94 3hkz h LEU 22 N -0.09 0.11 -3.74 5.97 3.38 -0.29 0.50 115.31 121.15 3hkz h LEU 22 Ca 0.03 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 3hkz h LEU 22 Cb 0.17 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 3hkz h LEU 22 CO -0.20 -0.03 0.27 1.87 0.09 0.00 0.00 178.44 180.44 3hkz n TRP 23 N -4.29 2.45 1.58 1.13 -0.00 0.14 -3.73 117.44 114.71 3hkz n TRP 23 Ca 0.33 -1.23 0.15 0.00 -0.00 0.00 0.00 57.50 56.76 3hkz n TRP 23 Cb 1.46 -0.69 0.78 0.00 -0.00 0.00 0.00 31.31 32.85 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 -0.20 0.65 -2.08 5.87 6.02 0.17 -4.55 117.38 123.26 3hkz n GLN 24 Ca 0.41 -0.06 -0.28 0.00 -0.01 0.00 0.00 57.00 57.06 3hkz n GLN 24 Cb 1.39 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 31.10 3hkz n GLN 24 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3hkz s ASN 25 N -2.39 5.19 0.00 1.08 0.01 -1.24 -4.83 114.94 112.75 3hkz s ASN 25 Ca 0.34 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 3hkz s ASN 25 Cb 0.21 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.30 3hkz s ASN 25 CO 0.44 -2.75 0.00 0.54 -1.51 0.00 0.00 177.10 173.82 3hkz n ARG 26 N 8.74 0.00 -0.07 -0.60 1.74 -1.26 -4.87 116.66 120.33 3hkz n ARG 26 Ca 0.41 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3hkz n ARG 26 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 3hkz n ARG 26 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hkz n LEU 27 N 0.00 -0.56 -4.93 0.55 4.77 -1.26 -5.08 117.00 110.49 3hkz n LEU 27 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 3hkz n LEU 27 Cb 0.00 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3hkz n LEU 27 CO 0.00 0.00 -0.03 0.42 -1.33 0.00 0.00 177.39 176.45 3hkz s THR 28 N -0.13 5.26 -0.40 -5.08 -4.23 -1.26 -4.95 115.64 104.84 3hkz s THR 28 Ca 0.00 -0.50 0.08 0.00 -1.18 0.00 0.00 61.69 60.08 3hkz s THR 28 Cb 0.00 -3.74 0.08 0.00 1.34 0.00 0.00 72.50 70.18 3hkz s THR 28 CO 0.00 -0.14 1.13 -1.14 -0.54 0.00 0.00 174.62 173.93 3hkz n ARG 29 N -0.63 0.05 -0.10 3.99 0.63 -1.26 -0.07 116.66 119.27 3hkz n ARG 29 Ca -0.06 0.47 -0.12 0.00 -0.92 0.00 0.00 57.85 57.23 3hkz n ARG 29 Cb 0.54 -1.84 -0.14 0.00 0.45 0.00 0.00 32.46 31.47 3hkz n ARG 29 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3hkz n TYR 30 N -1.73 0.00 -0.05 -0.14 4.02 -1.26 -3.56 117.16 114.44 3hkz n TYR 30 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.79 3hkz n TYR 30 Cb 0.18 -0.94 0.06 0.00 -0.02 0.00 0.00 39.34 38.62 3hkz n TYR 30 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3hkz h GLU 31 N 0.00 0.71 0.81 -0.72 5.08 -0.87 0.25 114.58 119.84 3hkz h GLU 31 Ca -0.53 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 57.43 3hkz h GLU 31 Cb 2.08 0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.34 3hkz h GLU 31 CO -0.01 0.98 -0.39 0.82 -1.00 0.00 0.00 179.01 179.41 3hkz h ILE 32 N 0.59 0.15 -0.64 3.13 2.04 -1.65 -3.07 117.51 118.06 3hkz h ILE 32 Ca 0.05 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3hkz h ILE 32 Cb 0.92 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 3hkz h ILE 32 CO 0.08 0.01 -0.55 0.00 0.00 0.00 0.00 178.15 177.69 3hkz h ALA 33 N -1.02 -0.66 -0.99 1.87 0.00 -1.55 -0.95 119.26 115.96 3hkz h ALA 33 Ca -0.11 0.05 0.32 0.00 0.00 0.00 0.00 54.91 55.16 3hkz h ALA 33 Cb 0.84 1.23 -0.15 0.00 0.00 0.00 0.00 17.79 19.71 3hkz h ALA 33 CO 0.18 -0.99 0.52 -0.09 0.00 0.00 0.00 179.25 178.88 3hkz h ARG 34 N -0.22 0.28 -0.15 0.00 9.65 -0.47 0.12 114.38 123.59 3hkz h ARG 34 Ca 0.11 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 3hkz h ARG 34 Cb 0.50 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3hkz h ARG 34 CO -0.72 0.19 -0.46 -0.39 2.80 0.00 0.00 179.97 181.39 3hkz h VAL 35 N 0.29 1.34 0.00 0.20 -1.51 -1.07 0.46 116.25 115.96 3hkz h VAL 35 Ca 0.72 -1.73 -0.04 0.00 -1.23 0.00 0.00 66.70 64.42 3hkz h VAL 35 Cb 1.63 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 32.81 3hkz h VAL 35 CO -0.63 0.53 -0.18 0.40 -1.23 0.00 0.00 177.57 176.46 3hkz h ILE 36 N 0.22 1.12 0.10 7.19 1.08 -1.26 1.54 117.51 127.51 3hkz h ILE 36 Ca -0.01 -0.63 -0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3hkz h ILE 36 Cb 1.08 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 3hkz h ILE 36 CO 0.10 0.18 -0.17 0.28 -0.69 0.00 0.00 178.15 177.85 3hkz h SER 37 N 0.00 -0.50 0.03 1.72 0.02 0.63 0.20 113.55 115.66 3hkz h SER 37 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3hkz h SER 37 Cb 0.33 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3hkz h SER 37 CO 0.02 -0.20 -0.08 0.00 -1.14 0.00 0.00 176.83 175.43 3hkz h ALA 38 N -1.34 -0.66 -0.06 3.77 0.00 0.93 -3.06 119.26 118.84 3hkz h ALA 38 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hkz h ALA 38 Cb 0.27 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hkz h ALA 38 CO -0.06 -0.68 0.05 -0.09 0.00 0.00 0.00 179.25 178.47 3hkz h ARG 39 N -0.13 0.00 -0.64 0.00 9.65 0.21 0.16 114.38 123.63 3hkz h ARG 39 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3hkz h ARG 39 Cb 0.12 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 3hkz h ARG 39 CO -0.04 0.00 0.25 0.00 2.80 0.00 0.00 179.97 182.98 3hkz h ALA 40 N 1.96 1.23 0.04 2.80 0.00 -0.85 -2.49 119.26 121.94 3hkz h ALA 40 Ca 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hkz h ALA 40 Cb 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hkz h ALA 40 CO -0.00 0.56 -0.02 1.25 0.00 0.00 0.00 179.25 181.05 3hkz h LEU 41 N 0.93 -0.04 0.00 0.00 5.85 -0.64 -3.12 115.31 118.29 3hkz h LEU 41 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hkz h LEU 41 Cb 0.19 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hkz h LEU 41 CO -0.02 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 3hkz n GLN 42 N -2.50 0.00 0.02 1.25 3.00 -0.76 0.53 117.38 118.92 3hkz n GLN 42 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.80 3hkz n GLN 42 Cb 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.14 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 0.56 -1.66 1.08 3.38 -1.54 -1.12 115.31 116.01 3hkz h LEU 43 Ca 0.00 -0.79 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 3hkz h LEU 43 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hkz h LEU 43 CO 0.00 1.29 0.00 0.00 0.09 0.00 0.00 178.44 179.82 3hkz n ALA 44 N -2.61 2.86 -0.02 1.53 0.00 0.19 -3.22 120.51 119.24 3hkz n ALA 44 Ca -0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 3hkz n ALA 44 Cb 0.73 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 0.16 3.12 0.00 0.00 2.81 0.33 -5.02 117.12 118.51 3hkz n MET 45 Ca 0.07 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3hkz n MET 45 Cb 0.50 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 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 2.72 -0.23 0.00 3.03 0.00 -0.47 -5.03 105.19 105.21 3hkz n GLY 46 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -0.09 -0.68 4.61 0.00 -0.92 -4.68 120.51 118.75 3hkz n ALA 47 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3hkz n ALA 47 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 0.99 -1.05 0.00 0.04 -1.26 -4.50 135.00 129.22 3hkz s PRO 48 Ca 0.00 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 3hkz s PRO 48 Cb 0.00 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.96 3hkz s PRO 48 CO 0.00 -2.66 1.26 0.00 0.04 0.00 0.00 177.00 175.64 3hkz s ALA 49 N -2.65 3.64 -0.17 8.56 0.00 -1.26 -4.96 121.76 124.93 3hkz s ALA 49 Ca 0.67 -3.03 -0.25 0.00 0.00 0.00 0.00 51.96 49.35 3hkz s ALA 49 Cb -0.23 -4.08 -0.11 0.00 0.00 0.00 0.00 23.12 18.70 3hkz s ALA 49 CO 0.58 -2.89 0.78 1.28 0.00 0.00 0.00 175.76 175.51 3hkz n LEU 50 N 6.14 0.40 0.00 0.00 4.32 -1.26 -2.61 117.00 124.00 3hkz n LEU 50 Ca 0.29 0.66 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 3hkz n LEU 50 Cb 0.46 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 3hkz n LEU 50 CO 0.55 -0.72 0.00 -0.38 -1.22 0.00 0.00 177.39 175.63 3hkz n ILE 51 N 1.67 0.00 -2.93 -0.08 2.08 -1.26 -4.86 119.36 113.97 3hkz n ILE 51 Ca 0.15 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.32 3hkz n ILE 51 Cb -0.00 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 38.91 3hkz n ILE 51 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3hkz n ASP 52 N 0.00 -1.31 -4.55 4.38 2.03 -1.07 -5.00 116.55 111.03 3hkz n ASP 52 Ca 0.00 -3.22 -0.47 0.00 0.52 0.00 0.00 54.79 51.62 3hkz n ASP 52 Cb 0.00 0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 41.19 3hkz n ASP 52 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3hkz n ILE 53 N 0.97 1.54 -3.50 5.18 2.08 -1.26 -4.97 119.36 119.39 3hkz n ILE 53 Ca 0.14 -0.38 -0.19 0.00 0.56 0.00 0.00 62.75 62.88 3hkz n ILE 53 Cb 0.63 -0.73 -0.13 0.00 -0.75 0.00 0.00 39.64 38.66 3hkz n ILE 53 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3hkz s ASN 54 N -0.42 1.42 -0.17 4.38 3.84 -1.26 -4.97 114.94 117.75 3hkz s ASN 54 Ca 0.66 -0.24 -0.06 0.00 0.21 0.00 0.00 52.86 53.43 3hkz s ASN 54 Cb -0.82 0.35 0.08 0.00 -0.55 0.00 0.00 41.25 40.32 3hkz s ASN 54 CO 0.56 -0.33 0.35 0.20 -2.79 0.00 0.00 177.10 175.10 3hkz s ASN 55 N 2.32 0.03 -1.74 -4.21 0.01 -1.26 -4.85 114.94 105.24 3hkz s ASN 55 Ca 0.07 0.79 -0.14 0.00 -0.71 0.00 0.00 52.86 52.87 3hkz s ASN 55 Cb -0.16 1.07 0.14 0.00 0.41 0.00 0.00 41.25 42.71 3hkz s ASN 55 CO -0.12 -0.24 0.39 -0.11 -1.51 0.00 0.00 177.10 175.51 3hkz n LEU 56 N 5.37 -0.99 0.00 0.60 7.94 -1.26 -4.79 117.00 123.87 3hkz n LEU 56 Ca -0.07 -1.24 0.00 0.00 -1.11 0.00 0.00 56.01 53.59 3hkz n LEU 56 Cb 0.50 -1.65 0.00 0.00 0.53 0.00 0.00 43.42 42.79 3hkz n LEU 56 CO 0.01 0.26 -0.48 -0.24 -1.11 0.00 0.00 177.39 175.83 3hkz n SER 57 N -2.65 4.29 0.00 1.96 2.88 -1.26 -5.10 113.62 113.75 3hkz n SER 57 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3hkz n SER 57 Cb 0.55 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.23 0.22 -3.99 -3.46 7.64 -1.26 -5.09 113.62 105.44 3hkz n SER 58 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 3hkz n SER 58 Cb 0.48 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 3hkz n SER 58 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3hkz s THR 59 N 2.34 0.16 0.54 0.44 2.01 -1.26 -5.10 115.64 114.77 3hkz s THR 59 Ca 0.00 -1.29 0.08 0.00 0.31 0.00 0.00 61.69 60.79 3hkz s THR 59 Cb 0.00 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.61 3hkz s THR 59 CO 0.00 -0.71 0.58 -1.81 -0.69 0.00 0.00 174.62 171.99 3hkz s ASP 60 N -2.24 4.92 0.00 3.53 -0.00 -1.26 -4.26 116.67 117.36 3hkz s ASP 60 Ca -0.04 -0.99 0.00 0.00 -0.00 0.00 0.00 52.55 51.52 3hkz s ASP 60 Cb -0.00 0.23 0.00 0.00 -0.00 0.00 0.00 42.92 43.15 3hkz s ASP 60 CO -0.06 -1.15 0.00 0.52 -0.00 0.00 0.00 175.17 174.48 3hkz n VAL 61 N -1.96 0.00 0.00 -1.27 0.31 -1.26 -4.13 118.33 110.03 3hkz n VAL 61 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3hkz n VAL 61 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 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 -1.37 2.52 5.41 -1.26 -4.51 119.36 120.15 3hkz n ILE 62 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3hkz n ILE 62 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3hkz n ILE 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3hkz n SER 63 N 0.32 0.00 0.07 4.38 3.41 -1.26 -4.55 113.62 115.98 3hkz n SER 63 Ca 0.00 -1.00 0.13 0.00 -0.26 0.00 0.00 58.87 57.74 3hkz n SER 63 Cb 0.00 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.00 0.39 0.25 -1.33 -5.35 -1.26 -2.35 119.36 109.71 3hkz n ILE 64 Ca 0.00 -0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.38 3hkz n ILE 64 Cb 0.39 -0.31 0.65 0.00 -1.74 0.00 0.00 39.64 38.63 3hkz n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hkz h ALA 65 N 2.60 1.12 0.39 -1.28 0.00 -1.88 -2.45 119.26 117.76 3hkz h ALA 65 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hkz h ALA 65 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hkz h ALA 65 CO 0.00 0.17 -0.19 0.93 0.00 0.00 0.00 179.25 180.16 3hkz h GLU 66 N 0.00 -0.51 -0.87 0.00 5.08 -1.73 -2.12 114.58 114.43 3hkz h GLU 66 Ca -0.00 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3hkz h GLU 66 Cb 0.50 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 3hkz h GLU 66 CO 0.02 -0.32 0.51 1.49 -1.00 0.00 0.00 179.01 179.71 3hkz h GLU 67 N -1.13 0.82 0.00 2.33 4.22 -1.47 0.15 114.58 119.49 3hkz h GLU 67 Ca -0.05 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.34 3hkz h GLU 67 Cb 0.42 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hkz h GLU 67 CO 0.09 0.54 0.00 1.05 -2.18 0.00 0.00 179.01 178.51 3hkz h GLU 68 N 0.84 0.00 -0.37 1.92 4.11 -1.56 -2.51 114.58 117.02 3hkz h GLU 68 Ca 0.42 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.82 3hkz h GLU 68 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3hkz h GLU 68 CO -0.25 0.00 0.12 0.35 0.07 0.00 0.00 179.01 179.29 3hkz h PHE 69 N 0.00 0.59 -0.05 2.06 3.57 -0.00 -3.07 116.94 120.03 3hkz h PHE 69 Ca 0.00 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3hkz h PHE 69 Cb 0.66 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 3hkz h PHE 69 CO 0.00 0.56 -0.04 0.00 -2.23 0.00 0.00 178.31 176.61 3hkz h ARG 70 N 0.44 0.12 -1.87 1.11 3.08 -1.01 -2.69 114.38 113.55 3hkz h ARG 70 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hkz h ARG 70 Cb 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hkz h ARG 70 CO -0.00 0.53 0.00 -2.13 -1.07 0.00 0.00 179.97 177.29 3hkz n ARG 71 N -4.78 0.27 -0.03 0.04 3.00 -1.00 -4.81 116.66 109.36 3hkz n ARG 71 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 3hkz n ARG 71 Cb 0.26 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.36 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 1.39 0.00 0.74 5.14 0.00 -1.02 -4.74 105.19 106.70 3hkz n GLY 72 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.00 0.51 -1.60 1.61 0.24 -1.16 -5.02 118.33 112.91 3hkz n VAL 73 Ca 0.00 -0.09 -0.47 0.00 -2.04 0.00 0.00 64.34 61.74 3hkz n VAL 73 Cb 0.00 -1.63 -0.05 0.00 -1.47 0.00 0.00 33.84 30.70 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 -3.40 3.12 -1.63 1.34 -0.00 -1.26 -4.82 117.00 110.35 3hkz n LEU 74 Ca -0.16 0.60 -0.03 0.00 -0.00 0.00 0.00 56.01 56.42 3hkz n LEU 74 Cb 0.59 -1.41 -0.04 0.00 -0.00 0.00 0.00 43.42 42.56 3hkz n LEU 74 CO 0.01 -0.39 1.16 -0.81 -0.00 0.00 0.00 177.39 177.36 3hkz n PRO 75 N 7.72 1.26 -2.52 1.47 -0.05 -1.26 -4.80 135.00 136.81 3hkz n PRO 75 Ca 0.29 -0.26 -0.41 0.00 -0.05 0.00 0.00 63.50 63.07 3hkz n PRO 75 Cb 0.33 -1.26 -0.03 0.00 -0.05 0.00 0.00 33.50 32.50 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 0.24 3.80 0.07 0.52 1.01 -1.26 -5.00 121.20 120.58 3hkz s ILE 76 Ca 0.17 0.57 -0.23 0.00 0.00 0.00 0.00 60.65 61.16 3hkz s ILE 76 Cb 0.08 -4.78 -0.06 0.00 0.01 0.00 0.00 42.46 37.71 3hkz s ILE 76 CO -0.00 -1.61 0.71 -0.89 0.00 0.00 0.00 174.94 173.15 3hkz s THR 77 N 5.68 4.67 0.14 2.92 2.01 -1.26 -4.72 115.64 125.09 3hkz s THR 77 Ca 0.40 1.51 -0.11 0.00 0.31 0.00 0.00 61.69 63.80 3hkz s THR 77 Cb -0.08 -4.05 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 3hkz s THR 77 CO 0.19 0.44 0.49 -0.63 -0.69 0.00 0.00 174.62 174.42 3hkz s ILE 78 N -0.51 4.97 -0.18 1.82 1.09 -1.14 -5.04 121.20 122.20 3hkz s ILE 78 Ca 0.35 0.58 0.01 0.00 -1.10 0.00 0.00 60.65 60.49 3hkz s ILE 78 Cb -0.21 -3.67 0.04 0.00 -1.06 0.00 0.00 42.46 37.55 3hkz s ILE 78 CO 0.22 0.18 -0.12 -0.13 -0.10 0.00 0.00 174.94 174.99 3hkz s ARG 79 N -2.15 2.17 -0.31 2.79 0.52 -1.26 -3.59 118.95 117.12 3hkz s ARG 79 Ca 0.38 -0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 54.75 3hkz s ARG 79 Cb -0.14 -2.34 0.01 0.00 0.52 0.00 0.00 34.95 33.01 3hkz s ARG 79 CO 0.19 -0.36 0.10 1.03 0.02 0.00 0.00 175.30 176.29 3hkz s ARG 80 N 1.41 3.05 -0.49 3.54 0.52 0.91 -4.94 118.95 122.95 3hkz s ARG 80 Ca 0.01 -0.89 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 3hkz s ARG 80 Cb -0.15 -3.44 0.11 0.00 0.52 0.00 0.00 34.95 31.99 3hkz s ARG 80 CO -0.09 -0.49 0.39 -0.98 0.02 0.00 0.00 175.30 174.15 3hkz s ARG 81 N 1.51 2.72 0.45 3.54 1.70 -1.26 -0.87 118.95 126.74 3hkz s ARG 81 Ca 0.02 -1.66 -0.17 0.00 -0.47 0.00 0.00 55.73 53.45 3hkz s ARG 81 Cb -0.18 -4.06 -0.09 0.00 -0.57 0.00 0.00 34.95 30.06 3hkz s ARG 81 CO 0.03 -1.19 0.91 -0.48 -1.08 0.00 0.00 175.30 173.49 3hkz s LEU 82 N 1.48 3.80 0.49 -1.89 2.34 -0.89 -4.94 118.68 119.07 3hkz s LEU 82 Ca 0.04 1.49 0.15 0.00 0.06 0.00 0.00 54.13 55.87 3hkz s LEU 82 Cb -0.27 -4.38 1.16 0.00 -0.56 0.00 0.00 46.19 42.14 3hkz s LEU 82 CO 0.02 -0.44 2.09 1.55 -1.06 0.00 0.00 176.35 178.51 3hkz h PRO 83 N 1.42 0.04 -0.99 1.48 0.13 -1.97 -2.34 132.00 129.77 3hkz h PRO 83 Ca -0.48 -0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.90 3hkz h PRO 83 Cb 1.18 -0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 3hkz h PRO 83 CO 0.62 0.08 -0.04 -0.97 -0.23 0.00 0.00 178.00 177.46 3hkz h ASN 84 N 0.04 -0.59 0.00 1.44 -0.73 -2.02 -3.45 115.58 110.27 3hkz h ASN 84 Ca 0.01 0.28 0.00 0.00 1.87 0.00 0.00 56.30 58.46 3hkz h ASN 84 Cb 0.10 0.52 0.00 0.00 0.27 0.00 0.00 38.32 39.21 3hkz h ASN 84 CO 0.01 -0.35 0.00 0.61 -0.37 0.00 0.00 177.43 177.33 3hkz n GLY 85 N -1.53 0.83 3.90 1.57 0.00 -0.88 -5.13 105.19 103.95 3hkz n GLY 85 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3hkz n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 86 N 0.00 3.59 -0.31 1.61 3.01 -1.25 -4.90 119.74 121.49 3hkz s LYS 86 Ca 0.00 0.23 0.01 0.00 -1.01 0.00 0.00 55.97 55.20 3hkz s LYS 86 Cb 0.00 -2.40 0.10 0.00 -1.01 0.00 0.00 37.83 34.51 3hkz s LYS 86 CO 0.00 -0.14 0.07 0.42 0.51 0.00 0.00 175.35 176.21 3hkz s ILE 87 N -2.62 1.37 -0.01 2.17 1.01 -1.26 -2.10 121.20 119.77 3hkz s ILE 87 Ca 0.48 -1.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 3hkz s ILE 87 Cb -0.10 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3hkz s ILE 87 CO 0.41 -0.59 1.04 -0.63 0.00 0.00 0.00 174.94 175.17 3hkz s ILE 88 N 1.38 4.65 -0.32 2.92 -1.09 -0.05 -4.79 121.20 123.90 3hkz s ILE 88 Ca 0.08 1.91 0.02 0.00 -2.23 0.00 0.00 60.65 60.43 3hkz s ILE 88 Cb -0.18 -4.22 0.10 0.00 -1.58 0.00 0.00 42.46 36.58 3hkz s ILE 88 CO -0.18 0.11 0.07 -1.48 -1.23 0.00 0.00 174.94 172.24 3hkz s LEU 89 N 1.27 3.44 -0.05 2.97 0.05 -1.26 -0.07 118.68 125.04 3hkz s LEU 89 Ca 0.53 -1.86 -0.20 0.00 0.05 0.00 0.00 54.13 52.65 3hkz s LEU 89 Cb -0.22 -1.24 -0.05 0.00 -2.05 0.00 0.00 46.19 42.63 3hkz s LEU 89 CO 0.26 -0.39 0.57 -1.48 -0.55 0.00 0.00 176.35 174.76 3hkz s LEU 90 N 1.27 4.36 -0.16 1.48 2.34 -1.24 -4.97 118.68 121.77 3hkz s LEU 90 Ca 0.10 1.05 -0.19 0.00 0.06 0.00 0.00 54.13 55.15 3hkz s LEU 90 Cb -0.18 -2.87 -0.17 0.00 -0.56 0.00 0.00 46.19 42.42 3hkz s LEU 90 CO -0.16 0.05 0.34 0.77 -1.06 0.00 0.00 176.35 176.28 3hkz h SER 91 N 6.10 0.00 0.00 1.48 4.64 -1.90 -3.02 113.55 120.85 3hkz h SER 91 Ca -0.44 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 3hkz h SER 91 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3hkz h SER 91 CO 0.72 1.06 0.00 -0.11 -0.87 0.00 0.00 176.83 177.63