#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz s ALA 6 N 0.00 2.41 -0.13 3.52 0.00 -1.26 -4.96 121.76 121.35 3hkz s ALA 6 Ca 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 3hkz s ALA 6 Cb 0.00 -4.37 0.04 0.00 0.00 0.00 0.00 23.12 18.78 3hkz s ALA 6 CO 0.00 -3.76 -0.00 -0.65 0.00 0.00 0.00 175.76 171.34 3hkz s GLN 7 N 6.13 0.84 1.01 0.00 -0.21 -1.26 -5.15 119.66 121.02 3hkz s GLN 7 Ca 0.51 -0.17 -0.13 0.00 0.02 0.00 0.00 55.36 55.59 3hkz s GLN 7 Cb -0.07 -1.52 0.19 0.00 1.00 0.00 0.00 33.01 32.61 3hkz s GLN 7 CO 0.09 -0.42 1.11 -2.00 -2.12 0.00 0.00 175.29 171.96 3hkz s GLU 8 N 1.86 0.35 -0.33 2.91 2.12 -1.26 -4.85 118.70 119.51 3hkz s GLU 8 Ca 0.03 0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.71 3hkz s GLU 8 Cb -0.14 -1.74 0.15 0.00 0.26 0.00 0.00 34.13 32.65 3hkz s GLU 8 CO -0.07 -2.74 0.36 0.42 -0.54 0.00 0.00 175.26 172.69 3hkz s ILE 9 N -3.08 -0.43 -0.14 -3.70 1.01 -1.25 -5.07 121.20 108.53 3hkz s ILE 9 Ca 0.66 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 3hkz s ILE 9 Cb -0.16 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 3hkz s ILE 9 CO 0.56 -0.47 -0.03 -0.63 0.00 0.00 0.00 174.94 174.36 3hkz s ILE 10 N 1.98 3.94 -0.04 2.92 1.09 -1.26 -2.44 121.20 127.40 3hkz s ILE 10 Ca 0.13 -0.35 0.04 0.00 -1.10 0.00 0.00 60.65 59.37 3hkz s ILE 10 Cb -0.14 -2.71 -0.00 0.00 -1.06 0.00 0.00 42.46 38.55 3hkz s ILE 10 CO -0.19 0.51 -0.15 -0.76 -0.10 0.00 0.00 174.94 174.25 3hkz s LEU 11 N 0.13 1.90 -0.22 2.97 1.02 -1.24 -4.95 118.68 118.30 3hkz s LEU 11 Ca -0.01 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 53.80 3hkz s LEU 11 Cb -0.14 -0.88 -0.00 0.00 0.02 0.00 0.00 46.19 45.20 3hkz s LEU 11 CO 0.03 0.14 -0.06 -0.94 0.02 0.00 0.00 176.35 175.54 3hkz s SER 12 N 0.03 4.17 0.00 2.29 1.04 -1.26 0.17 113.70 120.14 3hkz s SER 12 Ca -0.03 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3hkz s SER 12 Cb -0.10 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.31 3hkz s SER 12 CO 0.02 -0.03 0.00 0.00 0.98 0.00 0.00 173.24 174.21 3hkz s GLU 14 N -0.68 0.31 0.08 0.00 2.02 -1.26 -2.88 118.70 116.28 3hkz s GLU 14 Ca 0.00 0.06 -0.31 0.00 0.02 0.00 0.00 54.97 54.74 3hkz s GLU 14 Cb 0.00 -0.47 -0.08 0.00 0.10 0.00 0.00 34.13 33.68 3hkz s GLU 14 CO 0.00 -0.12 1.48 0.42 0.02 0.00 0.00 175.26 177.06 3hkz s ILE 15 N 0.94 3.26 -0.17 -1.63 1.09 -0.19 -4.07 121.20 120.43 3hkz s ILE 15 Ca -0.10 0.80 -0.17 0.00 -1.10 0.00 0.00 60.65 60.08 3hkz s ILE 15 Cb -0.13 -3.51 -0.06 0.00 -1.06 0.00 0.00 42.46 37.70 3hkz s ILE 15 CO -0.02 0.03 -0.34 0.59 -0.10 0.00 0.00 174.94 175.10 3hkz n ASN 16 N 4.77 1.91 -4.40 3.58 4.13 -0.29 -3.61 115.26 121.36 3hkz n ASN 16 Ca 0.13 0.32 -0.20 0.00 1.68 0.00 0.00 54.58 56.52 3hkz n ASN 16 Cb 0.42 -0.73 -0.10 0.00 -1.54 0.00 0.00 39.78 37.82 3hkz n ASN 16 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3hkz s SER 17 N -5.98 2.09 -0.32 6.41 1.04 -1.26 -4.68 113.70 111.01 3hkz s SER 17 Ca -0.28 -1.34 0.16 0.00 0.48 0.00 0.00 55.95 54.97 3hkz s SER 17 Cb 0.04 -0.03 0.46 0.00 0.10 0.00 0.00 66.02 66.60 3hkz s SER 17 CO 0.42 -0.60 1.02 -0.38 0.98 0.00 0.00 173.24 174.69 3hkz n ILE 18 N -0.60 1.36 -2.24 -1.02 5.41 -1.26 -3.10 119.36 117.91 3hkz n ILE 18 Ca -0.02 -3.39 -0.43 0.00 1.00 0.00 0.00 62.75 59.91 3hkz n ILE 18 Cb 0.66 0.40 -0.02 0.00 -0.71 0.00 0.00 39.64 39.97 3hkz n ILE 18 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3hkz s GLU 19 N -3.37 3.61 -0.49 0.38 2.02 -1.20 -4.87 118.70 114.77 3hkz s GLU 19 Ca 0.32 1.22 -0.38 0.00 0.02 0.00 0.00 54.97 56.15 3hkz s GLU 19 Cb 0.42 -4.05 -0.15 0.00 0.10 0.00 0.00 34.13 30.45 3hkz s GLU 19 CO -0.01 -1.52 2.24 0.54 0.02 0.00 0.00 175.26 176.52 3hkz n ARG 20 N 7.98 0.53 0.00 1.61 1.74 -1.26 -3.05 116.66 124.21 3hkz n ARG 20 Ca 0.18 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 3hkz n ARG 20 Cb 0.47 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 3hkz n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkz n GLY 21 N 6.89 -0.55 0.01 -0.13 0.00 -0.97 -4.92 105.19 105.52 3hkz n GLY 21 Ca 0.49 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 45.26 3hkz n GLY 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hkz n SER 22 N 0.00 0.62 -4.81 1.61 3.41 -1.26 -4.91 113.62 108.27 3hkz n SER 22 Ca 0.00 -0.34 -0.22 0.00 -0.26 0.00 0.00 58.87 58.05 3hkz n SER 22 Cb 0.00 0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 3hkz n SER 22 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hkz s LEU 23 N -3.27 3.32 -0.10 1.04 1.02 -1.26 -5.09 118.68 114.33 3hkz s LEU 23 Ca 0.09 -0.81 -0.30 0.00 0.02 0.00 0.00 54.13 53.13 3hkz s LEU 23 Cb 0.16 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 3hkz s LEU 23 CO 0.75 -0.53 1.15 -0.54 0.02 0.00 0.00 176.35 177.20 3hkz s LYS 24 N -4.01 4.34 -0.96 1.70 1.02 -1.26 -3.19 119.74 117.37 3hkz s LYS 24 Ca 0.44 1.58 -0.05 0.00 0.02 0.00 0.00 55.97 57.96 3hkz s LYS 24 Cb -0.01 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 3hkz s LYS 24 CO 0.25 -0.48 0.83 0.09 -0.92 0.00 0.00 175.35 175.12 3hkz n ASN 25 N 5.53 -4.39 -4.12 2.83 3.02 -1.26 -5.02 115.26 111.85 3hkz n ASN 25 Ca 0.11 -0.41 -0.14 0.00 -0.03 0.00 0.00 54.58 54.11 3hkz n ASN 25 Cb 0.46 -3.83 -0.11 0.00 -0.61 0.00 0.00 39.78 35.70 3hkz n ASN 25 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3hkz s LEU 26 N -5.50 2.31 -0.30 3.41 1.98 -1.19 -2.48 118.68 116.90 3hkz s LEU 26 Ca 0.32 -0.65 -0.09 0.00 -2.89 0.00 0.00 54.13 50.82 3hkz s LEU 26 Cb -0.14 -0.28 0.14 0.00 0.66 0.00 0.00 46.19 46.57 3hkz s LEU 26 CO 0.53 -0.20 0.65 -0.44 -1.89 0.00 0.00 176.35 175.00 3hkz s SER 27 N -1.89 -1.17 0.27 3.68 0.01 -0.55 -2.29 113.70 111.75 3hkz s SER 27 Ca -0.03 1.50 -0.29 0.00 1.31 0.00 0.00 55.95 58.43 3hkz s SER 27 Cb -0.08 2.29 -0.14 0.00 0.21 0.00 0.00 66.02 68.30 3hkz s SER 27 CO 0.00 -0.22 1.14 0.23 0.41 0.00 0.00 173.24 174.80 3hkz n MET 28 N 5.44 1.52 -3.99 12.44 2.81 -1.17 -2.77 117.12 131.41 3hkz n MET 28 Ca -0.11 0.54 -0.33 0.00 -1.81 0.00 0.00 57.70 55.99 3hkz n MET 28 Cb 0.49 -2.00 -0.14 0.00 -0.71 0.00 0.00 33.22 30.86 3hkz n MET 28 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hkz s VAL 29 N -0.74 2.54 0.39 2.03 1.01 -1.18 -3.28 120.40 121.17 3hkz s VAL 29 Ca 0.63 -1.73 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 3hkz s VAL 29 Cb -0.71 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 3hkz s VAL 29 CO 0.57 -0.22 0.74 0.20 0.00 0.00 0.00 175.10 176.40 3hkz s ASN 30 N 1.17 6.52 -0.29 3.32 0.01 -1.18 -2.17 114.94 122.33 3hkz s ASN 30 Ca -0.03 1.08 -0.17 0.00 -0.71 0.00 0.00 52.86 53.04 3hkz s ASN 30 Cb -0.20 -2.30 0.13 0.00 0.41 0.00 0.00 41.25 39.29 3hkz s ASN 30 CO -0.04 -0.37 0.92 -0.04 -1.51 0.00 0.00 177.10 176.06 3hkz s MET 31 N -3.78 0.46 -0.21 -0.60 -1.94 -0.92 -1.13 119.30 111.18 3hkz s MET 31 Ca 0.50 0.77 -0.08 0.00 -1.71 0.00 0.00 55.69 55.17 3hkz s MET 31 Cb -0.10 0.11 -0.04 0.00 2.01 0.00 0.00 34.83 36.80 3hkz s MET 31 CO 0.31 -0.09 0.09 -1.54 -0.01 0.00 0.00 175.02 173.77 3hkz s SER 32 N 1.30 5.69 0.00 3.03 1.04 -1.26 -0.10 113.70 123.40 3hkz s SER 32 Ca -0.08 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3hkz s SER 32 Cb -0.04 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.08 3hkz s SER 32 CO -0.15 0.11 0.00 0.00 0.98 0.00 0.00 173.24 174.18 3hkz n ASN 34 N 0.00 7.14 0.00 0.00 4.13 -1.26 -4.56 115.26 120.71 3hkz n ASN 34 Ca 0.00 -3.81 0.00 0.00 1.68 0.00 0.00 54.58 52.45 3hkz n ASN 34 Cb 0.00 -1.00 0.00 0.00 -1.54 0.00 0.00 39.78 37.24 3hkz n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hkz n GLY 35 N -0.49 1.07 3.90 7.41 0.00 -1.26 -5.03 105.19 110.79 3hkz n GLY 35 Ca 0.51 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 3hkz n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hkz s PHE 36 N -3.86 3.55 -0.27 1.61 0.40 -1.26 -4.56 117.98 113.58 3hkz s PHE 36 Ca 0.00 0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 56.60 3hkz s PHE 36 Cb 0.00 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 3hkz s PHE 36 CO 0.00 0.65 0.16 -0.80 0.70 0.00 0.00 175.22 175.94 3hkz s ASN 37 N -1.89 5.82 -0.23 1.36 -0.87 -1.08 0.30 114.94 118.35 3hkz s ASN 37 Ca 0.27 -0.06 0.01 0.00 -1.57 0.00 0.00 52.86 51.50 3hkz s ASN 37 Cb -0.13 -2.08 0.06 0.00 -0.02 0.00 0.00 41.25 39.09 3hkz s ASN 37 CO 0.18 -0.05 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.91 3hkz s VAL 38 N 1.73 1.57 0.03 1.60 1.01 0.85 -3.09 120.40 124.10 3hkz s VAL 38 Ca 0.07 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.87 3hkz s VAL 38 Cb -0.16 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3hkz s VAL 38 CO 0.09 -0.05 -0.05 -0.94 0.00 0.00 0.00 175.10 174.15 3hkz s SER 39 N 1.39 0.56 0.57 3.32 1.04 -1.21 -2.16 113.70 117.19 3hkz s SER 39 Ca -0.05 -0.55 0.06 0.00 0.48 0.00 0.00 55.95 55.88 3hkz s SER 39 Cb -0.18 0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.06 3hkz s SER 39 CO -0.06 -0.27 0.47 -0.36 0.98 0.00 0.00 173.24 174.00 3hkz s PHE 40 N -1.56 1.45 0.08 5.02 0.40 -0.92 -2.71 117.98 119.74 3hkz s PHE 40 Ca -0.12 -0.87 0.06 0.00 -0.60 0.00 0.00 56.93 55.41 3hkz s PHE 40 Cb -0.09 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 3hkz s PHE 40 CO -0.01 -0.64 -0.09 -0.51 0.70 0.00 0.00 175.22 174.67 3hkz s ASP 41 N -4.37 4.43 -0.26 1.36 1.01 -0.97 -3.10 116.67 114.78 3hkz s ASP 41 Ca 0.36 -0.34 -0.22 0.00 0.71 0.00 0.00 52.55 53.07 3hkz s ASP 41 Cb -0.03 -0.88 0.07 0.00 1.01 0.00 0.00 42.92 43.09 3hkz s ASP 41 CO 0.23 0.20 0.67 -0.63 0.21 0.00 0.00 175.17 175.85 3hkz s ILE 42 N -1.16 -0.00 0.14 0.77 -1.09 -1.11 -4.82 121.20 113.92 3hkz s ILE 42 Ca 0.20 0.00 -0.13 0.00 -2.23 0.00 0.00 60.65 58.50 3hkz s ILE 42 Cb -0.11 -0.94 -0.07 0.00 -1.58 0.00 0.00 42.46 39.76 3hkz s ILE 42 CO 0.12 0.00 0.52 -0.63 -1.23 0.00 0.00 174.94 173.72 3hkz s ILE 43 N 0.63 4.91 0.26 2.92 1.09 -1.26 -1.49 121.20 128.26 3hkz s ILE 43 Ca -0.02 0.72 -0.02 0.00 -1.10 0.00 0.00 60.65 60.23 3hkz s ILE 43 Cb -0.05 -3.71 0.11 0.00 -1.06 0.00 0.00 42.46 37.76 3hkz s ILE 43 CO -0.03 0.24 1.76 0.44 -0.10 0.00 0.00 174.94 177.24 3hkz h ASP 44 N 3.53 0.77 1.38 3.58 3.32 -1.81 -2.46 116.42 124.74 3hkz h ASP 44 Ca -0.49 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.38 3hkz h ASP 44 Cb 1.19 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3hkz h ASP 44 CO 0.66 0.83 0.00 0.77 -1.72 0.00 0.00 179.24 179.78 3hkz h SER 45 N 0.75 0.00 0.29 6.45 4.64 -1.95 -2.38 113.55 121.35 3hkz h SER 45 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3hkz h SER 45 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3hkz h SER 45 CO 0.02 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.60 3hkz n ILE 46 N -3.09 0.54 -1.27 0.95 2.08 -0.93 -5.01 119.36 112.63 3hkz n ILE 46 Ca 0.02 0.13 0.10 0.00 0.56 0.00 0.00 62.75 63.57 3hkz n ILE 46 Cb 0.39 -0.87 -0.06 0.00 -0.75 0.00 0.00 39.64 38.35 3hkz n ILE 46 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3hkz n ASN 47 N -1.28 -6.87 0.00 4.38 4.13 -0.90 -4.99 115.26 109.73 3hkz n ASN 47 Ca 0.08 1.37 0.00 0.00 1.68 0.00 0.00 54.58 57.70 3hkz n ASN 47 Cb 0.12 -4.25 0.00 0.00 -1.54 0.00 0.00 39.78 34.11 3hkz n ASN 47 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3hkz n ILE 48 N -3.55 0.00 -4.00 2.41 -0.00 -1.26 -4.81 119.36 108.15 3hkz n ILE 48 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.58 3hkz n ILE 48 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.14 3hkz n ILE 48 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 3hkz s PHE 49 N 2.79 0.55 0.61 1.39 0.40 -1.26 -5.15 117.98 117.31 3hkz s PHE 49 Ca 0.00 -0.92 -0.19 0.00 -0.60 0.00 0.00 56.93 55.23 3hkz s PHE 49 Cb 0.00 0.19 -0.03 0.00 0.51 0.00 0.00 43.02 43.69 3hkz s PHE 49 CO 0.00 -1.12 1.24 0.45 0.70 0.00 0.00 175.22 176.49 3hkz s SER 50 N -3.09 5.02 0.04 1.36 0.15 -1.26 -5.00 113.70 110.92 3hkz s SER 50 Ca 0.24 2.48 -0.17 0.00 0.70 0.00 0.00 55.95 59.20 3hkz s SER 50 Cb -0.01 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.61 3hkz s SER 50 CO 0.13 -1.71 1.26 1.56 1.20 0.00 0.00 173.24 175.67 3hkz h GLN 51 N 0.82 -0.43 -4.61 5.44 4.20 -1.95 -3.36 115.11 115.22 3hkz h GLN 51 Ca -0.51 0.03 -0.70 0.00 0.06 0.00 0.00 58.65 57.53 3hkz h GLN 51 Cb 1.31 0.10 -0.27 0.00 0.30 0.00 0.00 27.48 28.92 3hkz h GLN 51 CO 0.55 -0.28 -0.55 0.21 -0.67 0.00 0.00 178.83 178.08 3hkz s LYS 52 N -4.32 2.69 0.25 1.46 2.20 -1.26 -4.22 119.74 116.55 3hkz s LYS 52 Ca -0.08 -1.18 0.03 0.00 -0.36 0.00 0.00 55.97 54.38 3hkz s LYS 52 Cb 0.02 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 3hkz s LYS 52 CO 0.28 -0.72 0.10 -1.91 -0.36 0.00 0.00 175.35 172.74 3hkz n GLU 53 N 4.90 0.68 -4.21 4.03 2.13 -1.24 -4.91 120.64 122.01 3hkz n GLU 53 Ca -0.12 -2.17 -0.17 0.00 0.66 0.00 0.00 57.16 55.36 3hkz n GLU 53 Cb 0.45 1.23 -0.13 0.00 0.27 0.00 0.00 31.44 33.26 3hkz n GLU 53 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3hkz s LYS 54 N -2.97 0.70 -0.28 5.31 1.02 -1.26 -1.02 119.74 121.24 3hkz s LYS 54 Ca 0.14 -0.65 -0.24 0.00 0.02 0.00 0.00 55.97 55.23 3hkz s LYS 54 Cb 0.01 -0.63 0.10 0.00 -0.52 0.00 0.00 37.83 36.79 3hkz s LYS 54 CO 0.10 0.15 0.88 0.54 -0.92 0.00 0.00 175.35 176.10 3hkz s VAL 55 N -0.90 0.00 0.15 3.17 0.11 -1.14 -4.46 120.40 117.33 3hkz s VAL 55 Ca -0.02 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.93 3hkz s VAL 55 Cb -0.07 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.71 3hkz s VAL 55 CO 0.01 0.00 0.48 -0.54 -3.33 0.00 0.00 175.10 171.71 3hkz s LYS 56 N 0.38 3.80 -0.64 1.54 1.02 -1.11 0.89 119.74 125.62 3hkz s LYS 56 Ca 0.01 0.23 0.06 0.00 0.02 0.00 0.00 55.97 56.29 3hkz s LYS 56 Cb -0.05 -2.85 0.21 0.00 -0.52 0.00 0.00 37.83 34.62 3hkz s LYS 56 CO -0.04 0.45 0.60 0.28 -0.92 0.00 0.00 175.35 175.73 3hkz n VAL 57 N 0.43 1.66 -1.70 3.17 0.31 0.44 -2.40 118.33 120.24 3hkz n VAL 57 Ca -0.04 -4.89 -0.43 0.00 -0.01 0.00 0.00 64.34 58.97 3hkz n VAL 57 Cb 0.52 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 3hkz n VAL 57 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3hkz n ILE 58 N 1.46 0.11 -3.62 2.52 -0.00 -0.49 -3.59 119.36 115.76 3hkz n ILE 58 Ca 0.25 -0.02 -0.29 0.00 -0.00 0.00 0.00 62.75 62.69 3hkz n ILE 58 Cb 0.40 -1.92 -0.12 0.00 -0.00 0.00 0.00 39.64 38.00 3hkz n ILE 58 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 3hkz s ILE 59 N 1.61 1.05 0.16 7.28 1.01 -1.02 -1.36 121.20 129.94 3hkz s ILE 59 Ca 0.78 -2.46 0.05 0.00 0.00 0.00 0.00 60.65 59.02 3hkz s ILE 59 Cb -0.55 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 3hkz s ILE 59 CO 0.35 -0.97 -0.10 -0.55 0.00 0.00 0.00 174.94 173.67 3hkz s SER 60 N 0.38 1.96 -0.39 3.58 0.15 0.14 -3.94 113.70 115.59 3hkz s SER 60 Ca 0.20 -1.03 0.06 0.00 0.70 0.00 0.00 55.95 55.88 3hkz s SER 60 Cb -0.19 -0.04 0.67 0.00 -1.71 0.00 0.00 66.02 64.75 3hkz s SER 60 CO -0.03 -0.31 1.84 0.29 1.20 0.00 0.00 173.24 176.23 3hkz n LYS 61 N -0.25 2.68 -0.08 5.44 5.02 -1.26 0.97 118.16 130.68 3hkz n LYS 61 Ca -0.09 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 3hkz n LYS 61 Cb 0.61 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 3hkz n LYS 61 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hkz n ASN 62 N -0.75 0.15 -3.50 4.39 5.03 -1.26 -5.01 115.26 114.31 3hkz n ASN 62 Ca 0.51 -1.25 -0.22 0.00 0.87 0.00 0.00 54.58 54.49 3hkz n ASN 62 Cb 1.54 -0.04 0.05 0.00 -1.02 0.00 0.00 39.78 40.31 3hkz n ASN 62 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3hkz n ARG 63 N -0.05 -2.72 -1.51 3.52 0.63 -1.26 -4.80 116.66 110.47 3hkz n ARG 63 Ca 0.00 0.68 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 3hkz n ARG 63 Cb 0.52 -5.12 -0.07 0.00 0.45 0.00 0.00 32.46 28.24 3hkz n ARG 63 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hkz n PRO 64 N -3.82 0.85 -1.01 -0.14 -0.02 -1.26 -4.80 135.00 124.79 3hkz n PRO 64 Ca -0.14 0.11 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 3hkz n PRO 64 Cb 0.63 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 3hkz n PRO 64 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hkz n SER 65 N 12.70 -0.88 -3.83 2.55 3.41 -1.26 -4.99 113.62 121.32 3hkz n SER 65 Ca 0.45 0.81 -0.09 0.00 -0.26 0.00 0.00 58.87 59.78 3hkz n SER 65 Cb 0.33 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 3hkz n SER 65 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3hkz s TYR 66 N -0.71 0.21 0.01 7.33 1.13 -1.26 -5.13 117.35 118.94 3hkz s TYR 66 Ca 0.46 -0.62 -0.12 0.00 -1.41 0.00 0.00 57.07 55.38 3hkz s TYR 66 Cb -0.67 0.39 0.01 0.00 -1.10 0.00 0.00 41.96 40.59 3hkz s TYR 66 CO 0.40 -1.13 0.26 -1.12 -2.51 0.00 0.00 175.55 171.45 3hkz s SER 67 N -3.00 -0.09 0.00 -0.18 0.01 -1.26 -5.05 113.70 104.12 3hkz s SER 67 Ca 0.19 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.33 3hkz s SER 67 Cb -0.03 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.50 3hkz s SER 67 CO 0.09 -0.50 0.00 1.41 0.41 0.00 0.00 173.24 174.66 3hkz n HIS 68 N 1.02 0.00 0.82 2.43 8.25 -1.26 -1.39 115.22 125.09 3hkz n HIS 68 Ca -0.21 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.37 3hkz n HIS 68 Cb 0.57 0.00 0.50 0.00 1.12 0.00 0.00 29.99 32.18 3hkz n HIS 68 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3hkz n ASP 69 N 0.00 0.00 -4.89 0.41 10.43 -1.26 -4.78 116.55 116.46 3hkz n ASP 69 Ca 0.00 0.45 -0.32 0.00 2.57 0.00 0.00 54.79 57.49 3hkz n ASP 69 Cb 0.00 -0.48 -0.05 0.00 1.84 0.00 0.00 41.12 42.43 3hkz n ASP 69 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3hkz s ASP 70 N -2.96 6.50 -0.47 -2.24 1.11 -0.48 -4.75 116.67 113.38 3hkz s ASP 70 Ca 0.12 0.59 -0.16 0.00 0.18 0.00 0.00 52.55 53.28 3hkz s ASP 70 Cb 0.15 -2.09 0.06 0.00 1.07 0.00 0.00 42.92 42.11 3hkz s ASP 70 CO 0.41 0.10 0.42 0.12 1.18 0.00 0.00 175.17 177.40 3hkz s PHE 71 N -1.57 3.21 -0.00 4.23 5.36 -0.40 -4.92 117.98 123.88 3hkz s PHE 71 Ca 0.38 -0.77 0.05 0.00 -0.96 0.00 0.00 56.93 55.63 3hkz s PHE 71 Cb -0.13 -3.13 -0.01 0.00 -0.34 0.00 0.00 43.02 39.41 3hkz s PHE 71 CO 0.23 -0.80 -0.15 0.00 -1.46 0.00 0.00 175.22 173.04 3hkz s GLY 73 N -0.48 -0.35 0.05 0.00 0.00 -0.86 -4.98 107.32 100.70 3hkz s GLY 73 Ca 0.05 1.58 0.09 0.00 0.00 0.00 0.00 44.72 46.45 3hkz s GLY 73 CO -0.00 0.69 -0.26 -2.38 0.00 0.00 0.00 173.10 171.15 3hkz s HIS 74 N -2.07 2.33 0.00 1.90 -3.43 -1.26 -1.60 115.29 111.15 3hkz s HIS 74 Ca 0.02 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.87 3hkz s HIS 74 Cb -0.01 -1.39 0.00 0.00 -1.43 0.00 0.00 32.58 29.75 3hkz s HIS 74 CO -0.04 0.13 0.00 0.41 -2.00 0.00 0.00 174.74 173.24 3hkz n GLY 75 N 1.77 0.96 3.53 -1.38 0.00 0.11 -4.20 105.19 105.97 3hkz n GLY 75 Ca -0.17 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 3hkz n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkz s TYR 76 N -2.73 2.01 0.28 1.61 2.02 0.36 0.15 117.35 121.05 3hkz s TYR 76 Ca 0.00 -0.98 0.09 0.00 -0.37 0.00 0.00 57.07 55.81 3hkz s TYR 76 Cb 0.00 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 3hkz s TYR 76 CO 0.00 0.04 0.04 0.42 -1.57 0.00 0.00 175.55 174.48 3hkz s ILE 77 N -3.13 3.43 -0.30 2.71 -1.09 -1.26 -0.42 121.20 121.14 3hkz s ILE 77 Ca 0.30 -1.83 -0.08 0.00 -2.23 0.00 0.00 60.65 56.80 3hkz s ILE 77 Cb 0.07 -2.91 0.17 0.00 -1.58 0.00 0.00 42.46 38.20 3hkz s ILE 77 CO 0.14 -0.33 0.75 -0.69 -1.23 0.00 0.00 174.94 173.57 3hkz s VAL 78 N -2.33 -0.82 0.08 2.92 1.01 -0.56 -4.81 120.40 115.89 3hkz s VAL 78 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 3hkz s VAL 78 Cb -0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3hkz s VAL 78 CO 0.21 0.00 0.02 -0.89 0.00 0.00 0.00 175.10 174.44 3hkz s THR 79 N 2.82 0.18 0.19 3.92 2.01 -1.26 -2.15 115.64 121.34 3hkz s THR 79 Ca 0.06 -1.79 0.00 0.00 0.31 0.00 0.00 61.69 60.27 3hkz s THR 79 Cb -0.12 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.71 3hkz s THR 79 CO -0.18 -0.80 0.00 -1.84 -0.69 0.00 0.00 174.62 171.11 3hkz n GLU 80 N 0.03 0.00 0.00 4.92 0.28 -1.26 -5.06 120.64 119.55 3hkz n GLU 80 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3hkz n GLU 80 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 3hkz n GLU 80 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3hkz n LEU 81 N -2.87 0.00 -4.77 -1.84 4.32 -1.26 -5.06 117.00 105.51 3hkz n LEU 81 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 3hkz n LEU 81 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3hkz n LEU 81 CO 0.00 0.00 -0.17 -1.59 -1.22 0.00 0.00 177.39 174.41 3hkz s LYS 82 N -1.00 2.56 -0.12 3.23 -2.85 -1.26 -4.73 119.74 115.57 3hkz s LYS 82 Ca 0.00 -1.37 -0.05 0.00 -1.00 0.00 0.00 55.97 53.55 3hkz s LYS 82 Cb 0.00 -2.33 -0.04 0.00 -2.06 0.00 0.00 37.83 33.40 3hkz s LYS 82 CO 0.00 0.19 0.08 0.34 0.10 0.00 0.00 175.35 176.06 3hkz s ASP 83 N -3.87 5.89 -0.01 0.03 3.68 0.10 -4.81 116.67 117.68 3hkz s ASP 83 Ca 0.37 0.30 0.05 0.00 2.13 0.00 0.00 52.55 55.40 3hkz s ASP 83 Cb -0.05 -1.85 -0.01 0.00 -1.45 0.00 0.00 42.92 39.55 3hkz s ASP 83 CO 0.24 0.36 -0.18 -0.94 0.13 0.00 0.00 175.17 174.78 3hkz s SER 84 N -0.75 2.07 0.11 -0.34 1.04 -0.91 -1.32 113.70 113.60 3hkz s SER 84 Ca 0.13 -0.33 0.10 0.00 0.48 0.00 0.00 55.95 56.33 3hkz s SER 84 Cb -0.12 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 3hkz s SER 84 CO 0.03 0.21 -0.25 -0.55 0.98 0.00 0.00 173.24 173.65 3hkz s SER 85 N -0.46 3.40 -0.00 7.02 0.15 -0.32 -1.49 113.70 122.00 3hkz s SER 85 Ca 0.07 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.04 3hkz s SER 85 Cb -0.07 -0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 63.95 3hkz s SER 85 CO -0.01 0.19 -0.02 -0.22 1.20 0.00 0.00 173.24 174.39 3hkz s LEU 86 N -1.92 1.99 -0.81 3.45 2.96 0.44 -2.19 118.68 122.59 3hkz s LEU 86 Ca 0.14 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3hkz s LEU 86 Cb -0.10 -0.08 0.30 0.00 0.50 0.00 0.00 46.19 46.80 3hkz s LEU 86 CO 0.06 0.02 1.17 0.59 -1.32 0.00 0.00 176.35 176.86 3hkz n ASN 87 N 3.06 5.24 0.00 3.68 4.13 -1.14 0.14 115.26 130.37 3hkz n ASN 87 Ca -0.13 -3.53 0.00 0.00 1.68 0.00 0.00 54.58 52.60 3hkz n ASN 87 Cb 0.59 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 3hkz n ASN 87 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hkz n ASN 88 N 0.58 0.00 0.00 6.41 3.02 -1.26 -4.20 115.26 119.82 3hkz n ASN 88 Ca 0.32 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 3hkz n ASN 88 Cb 0.36 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3hkz n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkz n GLY 89 N -0.35 1.73 3.79 7.41 0.00 -1.26 -5.14 105.19 111.37 3hkz n GLY 89 Ca 0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3hkz n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hkz s ASN 90 N 1.04 6.61 -0.01 1.61 -0.87 -1.26 -4.96 114.94 117.09 3hkz s ASN 90 Ca 0.00 1.98 -0.02 0.00 -1.57 0.00 0.00 52.86 53.26 3hkz s ASN 90 Cb 0.00 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.62 3hkz s ASN 90 CO 0.00 -0.60 0.14 -0.54 -2.57 0.00 0.00 177.10 173.53 3hkz s LYS 91 N -2.80 3.27 -0.03 -0.60 1.02 -1.26 -2.86 119.74 116.49 3hkz s LYS 91 Ca 0.62 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 56.23 3hkz s LYS 91 Cb -0.19 -2.99 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3hkz s LYS 91 CO 0.24 0.66 -0.05 0.71 -0.92 0.00 0.00 175.35 175.99 3hkz s TYR 92 N -1.27 0.66 0.40 3.18 2.02 -0.93 -2.29 117.35 119.12 3hkz s TYR 92 Ca 0.25 -0.15 0.08 0.00 -0.37 0.00 0.00 57.07 56.87 3hkz s TYR 92 Cb -0.12 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 3hkz s TYR 92 CO 0.17 -0.11 0.33 0.95 -1.57 0.00 0.00 175.55 175.31 3hkz s THR 93 N 0.49 2.76 -0.29 -0.71 -4.23 -1.10 -1.17 115.64 111.39 3hkz s THR 93 Ca -0.06 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 3hkz s THR 93 Cb -0.10 -3.02 0.19 0.00 1.34 0.00 0.00 72.50 70.91 3hkz s THR 93 CO -0.00 -0.04 0.57 -0.89 -0.54 0.00 0.00 174.62 173.72 3hkz s THR 94 N -2.46 -0.95 -0.18 3.99 2.01 -0.44 -3.36 115.64 114.25 3hkz s THR 94 Ca 0.46 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 3hkz s THR 94 Cb -0.03 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.50 3hkz s THR 94 CO 0.27 -0.03 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.40 3hkz s ILE 95 N 2.81 2.63 0.16 1.82 1.09 -1.18 -0.72 121.20 127.80 3hkz s ILE 95 Ca 0.14 -0.76 -0.03 0.00 -1.10 0.00 0.00 60.65 58.90 3hkz s ILE 95 Cb -0.12 -2.14 -0.05 0.00 -1.06 0.00 0.00 42.46 39.09 3hkz s ILE 95 CO -0.24 0.50 0.38 -0.63 -0.10 0.00 0.00 174.94 174.85 3hkz s ILE 96 N 1.19 5.18 0.00 2.92 -1.09 -1.26 -2.62 121.20 125.52 3hkz s ILE 96 Ca 0.02 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 3hkz s ILE 96 Cb -0.14 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 3hkz s ILE 96 CO -0.06 -0.04 0.32 -1.20 -1.23 0.00 0.00 174.94 172.73 3hkz n SER 97 N -0.18 0.00 -4.39 3.58 7.64 -1.26 -4.68 113.62 114.32 3hkz n SER 97 Ca -0.03 0.32 -0.26 0.00 1.01 0.00 0.00 58.87 59.91 3hkz n SER 97 Cb 0.52 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 3hkz n SER 97 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3hkz s LEU 98 N -1.27 2.42 -0.22 -3.43 2.96 -1.26 -4.97 118.68 112.91 3hkz s LEU 98 Ca 0.00 -0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 53.06 3hkz s LEU 98 Cb 0.00 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.62 3hkz s LEU 98 CO 0.00 0.09 0.01 -1.22 -1.32 0.00 0.00 176.35 173.91 3hkz n TYR 99 N 0.38 -2.93 -5.19 5.38 0.53 -1.26 -5.06 117.16 109.01 3hkz n TYR 99 Ca -0.14 1.33 -0.31 0.00 -1.02 0.00 0.00 57.90 57.76 3hkz n TYR 99 Cb 0.56 -3.33 -0.17 0.00 -1.03 0.00 0.00 39.34 35.37 3hkz n TYR 99 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 3hkz s GLY 100 N -1.14 1.29 0.00 2.72 0.00 -1.26 -4.82 107.32 104.11 3hkz s GLY 100 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3hkz s GLY 100 CO 0.57 -0.35 0.00 1.04 0.00 0.00 0.00 173.10 174.36 3hkz n LEU 101 N 3.44 0.00 -0.17 0.66 7.99 -1.26 -4.51 117.00 123.15 3hkz n LEU 101 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 3hkz n LEU 101 Cb 0.53 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 3hkz n LEU 101 CO 0.27 0.00 0.43 0.18 -1.51 0.00 0.00 177.39 176.76 3hkz n LEU 102 N 0.00 0.36 -2.19 2.23 4.77 -1.26 -2.83 117.00 118.08 3hkz n LEU 102 Ca 0.00 -0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.54 3hkz n LEU 102 Cb 0.00 -0.16 0.15 0.00 -2.33 0.00 0.00 43.42 41.08 3hkz n LEU 102 CO 0.00 0.09 1.28 0.55 -1.33 0.00 0.00 177.39 177.98 3hkz n VAL 103 N -0.32 3.28 -3.80 4.08 3.14 -1.26 -4.93 118.33 118.52 3hkz n VAL 103 Ca 0.00 -2.29 0.00 0.00 -2.96 0.00 0.00 64.34 59.09 3hkz n VAL 103 Cb 0.09 -0.66 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 3hkz n VAL 103 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 3hkz n LYS 104 N -1.08 0.00 -2.93 1.45 2.85 -1.13 -5.08 118.16 112.25 3hkz n LYS 104 Ca 0.59 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 57.41 3hkz n LYS 104 Cb 1.35 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.70 3hkz n LYS 104 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3hkz s ILE 105 N -2.00 4.64 -0.37 0.58 1.01 -1.26 -4.99 121.20 118.81 3hkz s ILE 105 Ca 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 60.65 59.40 3hkz s ILE 105 Cb 0.00 -4.73 0.08 0.00 0.01 0.00 0.00 42.46 37.82 3hkz s ILE 105 CO 0.00 -1.46 0.13 -0.51 0.00 0.00 0.00 174.94 173.10 3hkz s ILE 106 N 3.03 3.32 -0.09 2.92 1.10 -1.26 -5.06 121.20 125.16 3hkz s ILE 106 Ca 0.28 -1.68 -0.00 0.00 -0.51 0.00 0.00 60.65 58.74 3hkz s ILE 106 Cb -0.10 -3.10 0.02 0.00 0.15 0.00 0.00 42.46 39.44 3hkz s ILE 106 CO -0.03 -0.43 -0.07 -0.44 -2.11 0.00 0.00 174.94 171.87 3hkz s SER 107 N 1.61 1.90 0.00 4.50 0.01 -1.26 -5.03 113.70 115.43 3hkz s SER 107 Ca 0.02 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.04 3hkz s SER 107 Cb -0.21 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.29 3hkz s SER 107 CO -0.02 -0.11 0.34 0.59 0.41 0.00 0.00 173.24 174.46 3hkz n ASN 108 N 4.74 0.00 -0.97 2.44 4.13 -1.26 -4.56 115.26 119.78 3hkz n ASN 108 Ca -0.14 -1.29 0.00 0.00 1.68 0.00 0.00 54.58 54.83 3hkz n ASN 108 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3hkz n ASN 108 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3hkz n LYS 109 N 2.65 0.38 -1.92 3.52 5.02 -1.26 -4.41 118.16 122.14 3hkz n LYS 109 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3hkz n LYS 109 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3hkz n LYS 109 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3hkz s GLU 110 N -1.51 4.20 0.05 1.97 2.12 -1.26 -4.20 118.70 120.08 3hkz s GLU 110 Ca 0.00 2.43 -0.02 0.00 0.36 0.00 0.00 54.97 57.73 3hkz s GLU 110 Cb 0.00 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 3hkz s GLU 110 CO 0.00 -0.47 0.01 -1.54 -0.54 0.00 0.00 175.26 172.73 3hkz s SER 111 N 0.14 0.38 -0.20 -1.70 1.04 0.39 -4.72 113.70 109.02 3hkz s SER 111 Ca 0.57 -0.85 -0.05 0.00 0.48 0.00 0.00 55.95 56.10 3hkz s SER 111 Cb -0.44 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 3hkz s SER 111 CO 0.51 -0.57 0.00 -0.36 0.98 0.00 0.00 173.24 173.79 3hkz s PHE 112 N -3.50 3.04 -0.37 5.02 0.40 0.27 0.07 117.98 122.91 3hkz s PHE 112 Ca 0.03 -0.49 -0.08 0.00 -0.60 0.00 0.00 56.93 55.79 3hkz s PHE 112 Cb 0.05 -2.09 0.05 0.00 0.51 0.00 0.00 43.02 41.53 3hkz s PHE 112 CO -0.09 -0.27 0.18 -1.17 0.70 0.00 0.00 175.22 174.57 3hkz s LEU 113 N 1.07 4.70 -0.24 -0.37 0.20 -0.63 -0.68 118.68 122.73 3hkz s LEU 113 Ca 0.02 -1.28 -0.01 0.00 0.69 0.00 0.00 54.13 53.56 3hkz s LEU 113 Cb -0.14 -1.93 0.03 0.00 -0.43 0.00 0.00 46.19 43.71 3hkz s LEU 113 CO 0.01 -0.41 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.44 3hkz s ARG 114 N 1.42 2.81 -0.05 1.98 0.52 -0.46 -2.02 118.95 123.15 3hkz s ARG 114 Ca 0.01 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 3hkz s ARG 114 Cb -0.21 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 3hkz s ARG 114 CO 0.03 -0.38 -0.16 0.95 0.02 0.00 0.00 175.30 175.77 3hkz s THR 115 N 1.30 2.93 0.17 0.02 -4.23 0.23 -1.39 115.64 114.66 3hkz s THR 115 Ca 0.00 -0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 3hkz s THR 115 Cb -0.16 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 3hkz s THR 115 CO -0.06 0.58 0.17 -0.94 -0.54 0.00 0.00 174.62 173.83 3hkz s SER 116 N -0.63 0.17 0.00 3.99 1.04 -1.01 -1.28 113.70 115.98 3hkz s SER 116 Ca 0.09 -1.16 0.32 0.00 0.48 0.00 0.00 55.95 55.68 3hkz s SER 116 Cb -0.11 0.38 1.81 0.00 0.10 0.00 0.00 66.02 68.19 3hkz s SER 116 CO 0.01 -0.83 2.17 0.00 0.98 0.00 0.00 173.24 175.57