#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 1.37 0.93 2.33 0.00 -1.26 -5.15 121.76 119.98 3hkz s ALA 6 Ca 0.00 -2.43 -0.11 0.00 0.00 0.00 0.00 51.96 49.42 3hkz s ALA 6 Cb 0.00 -1.59 0.18 0.00 0.00 0.00 0.00 23.12 21.71 3hkz s ALA 6 CO 0.00 -1.98 1.08 0.94 0.00 0.00 0.00 175.76 175.81 3hkz n GLN 7 N 2.88 -0.87 -3.62 0.00 7.27 -1.26 -5.04 117.38 116.74 3hkz n GLN 7 Ca 0.29 -1.91 -0.12 0.00 0.07 0.00 0.00 57.00 55.33 3hkz n GLN 7 Cb 0.48 -1.04 -0.05 0.00 2.41 0.00 0.00 30.24 32.03 3hkz n GLN 7 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3hkz s GLU 8 N -5.34 1.02 -0.29 3.69 2.12 -1.26 -4.69 118.70 113.95 3hkz s GLU 8 Ca 0.63 -0.47 -0.02 0.00 0.36 0.00 0.00 54.97 55.47 3hkz s GLU 8 Cb -0.02 0.45 0.09 0.00 0.26 0.00 0.00 34.13 34.92 3hkz s GLU 8 CO 0.44 -0.38 0.10 0.42 -0.54 0.00 0.00 175.26 175.30 3hkz s ILE 9 N -3.04 0.48 0.04 -3.70 -1.09 -1.26 -5.07 121.20 107.57 3hkz s ILE 9 Ca -0.02 -1.06 0.02 0.00 -2.23 0.00 0.00 60.65 57.37 3hkz s ILE 9 Cb 0.00 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.51 3hkz s ILE 9 CO -0.06 -0.64 0.04 -0.63 -1.23 0.00 0.00 174.94 172.42 3hkz s ILE 10 N 1.82 4.37 0.03 2.92 1.09 -1.26 -2.33 121.20 127.85 3hkz s ILE 10 Ca 0.08 -0.70 0.02 0.00 -1.10 0.00 0.00 60.65 58.95 3hkz s ILE 10 Cb -0.17 -3.04 -0.02 0.00 -1.06 0.00 0.00 42.46 38.17 3hkz s ILE 10 CO -0.27 0.23 -0.07 -0.76 -0.10 0.00 0.00 174.94 173.97 3hkz s LEU 11 N -2.03 2.22 -0.73 2.97 1.02 -1.00 -5.02 118.68 116.11 3hkz s LEU 11 Ca 0.25 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.92 3hkz s LEU 11 Cb -0.12 -0.17 0.18 0.00 0.02 0.00 0.00 46.19 46.10 3hkz s LEU 11 CO 0.17 -0.16 0.55 -0.94 0.02 0.00 0.00 176.35 175.98 3hkz s SER 12 N -1.35 5.28 0.70 2.29 1.04 -1.26 -1.99 113.70 118.41 3hkz s SER 12 Ca -0.08 -3.43 0.02 0.00 0.48 0.00 0.00 55.95 52.94 3hkz s SER 12 Cb -0.09 -1.79 0.13 0.00 0.10 0.00 0.00 66.02 64.36 3hkz s SER 12 CO 0.00 -0.22 0.96 0.00 0.98 0.00 0.00 173.24 174.97 3hkz s GLU 14 N -5.06 0.19 0.21 0.00 2.02 -0.07 -3.40 118.70 112.59 3hkz s GLU 14 Ca 0.66 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 55.64 3hkz s GLU 14 Cb -0.05 0.05 -0.08 0.00 0.10 0.00 0.00 34.13 34.14 3hkz s GLU 14 CO 0.43 -0.05 1.22 0.42 0.02 0.00 0.00 175.26 177.31 3hkz s ILE 15 N 0.32 3.42 -0.26 -1.63 1.09 -0.89 -3.01 121.20 120.24 3hkz s ILE 15 Ca -0.02 1.22 -0.01 0.00 -1.10 0.00 0.00 60.65 60.74 3hkz s ILE 15 Cb -0.03 -3.78 -0.17 0.00 -1.06 0.00 0.00 42.46 37.42 3hkz s ILE 15 CO -0.01 0.21 -0.22 0.59 -0.10 0.00 0.00 174.94 175.41 3hkz n ASN 16 N 2.30 1.98 -3.73 3.58 4.13 -0.61 -4.04 115.26 118.87 3hkz n ASN 16 Ca 0.04 -0.05 -0.14 0.00 1.68 0.00 0.00 54.58 56.11 3hkz n ASN 16 Cb 0.44 -0.49 -0.09 0.00 -1.54 0.00 0.00 39.78 38.10 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 -6.68 -0.31 -0.70 6.41 1.04 -1.21 -4.71 113.70 107.54 3hkz s SER 17 Ca -0.35 0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.51 3hkz s SER 17 Cb 0.10 0.52 0.17 0.00 0.10 0.00 0.00 66.02 66.90 3hkz s SER 17 CO 0.59 -0.34 0.50 -0.63 0.98 0.00 0.00 173.24 174.34 3hkz s ILE 18 N -0.74 3.27 0.16 -1.02 1.09 -1.26 -3.04 121.20 119.67 3hkz s ILE 18 Ca -0.08 -3.79 0.08 0.00 -1.10 0.00 0.00 60.65 55.75 3hkz s ILE 18 Cb -0.04 -3.14 -0.04 0.00 -1.06 0.00 0.00 42.46 38.19 3hkz s ILE 18 CO 0.03 -0.96 -0.06 -1.61 -0.10 0.00 0.00 174.94 172.24 3hkz s GLU 19 N -0.98 2.19 0.03 2.79 2.02 -1.26 -5.07 118.70 118.42 3hkz s GLU 19 Ca 0.23 -1.15 -0.34 0.00 0.02 0.00 0.00 54.97 53.73 3hkz s GLU 19 Cb -0.12 -2.27 -0.13 0.00 0.10 0.00 0.00 34.13 31.71 3hkz s GLU 19 CO -0.10 0.46 1.71 0.54 0.02 0.00 0.00 175.26 177.89 3hkz n ARG 20 N 0.17 2.06 -2.49 1.61 1.74 -1.26 -3.21 116.66 115.28 3hkz n ARG 20 Ca -0.11 0.75 -0.26 0.00 -0.77 0.00 0.00 57.85 57.46 3hkz n ARG 20 Cb 0.54 -2.54 0.02 0.00 -1.02 0.00 0.00 32.46 29.47 3hkz n ARG 20 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hkz s GLY 21 N 2.41 1.59 0.00 -0.13 0.00 0.17 -4.70 107.32 106.66 3hkz s GLY 21 Ca 0.86 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3hkz s GLY 21 CO 0.46 -0.46 0.92 -1.14 0.00 0.00 0.00 173.10 172.88 3hkz n SER 22 N -2.49 2.57 -1.84 1.64 3.41 -1.26 -4.70 113.62 110.95 3hkz n SER 22 Ca 0.04 -1.55 -0.07 0.00 -0.26 0.00 0.00 58.87 57.03 3hkz n SER 22 Cb 0.57 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3hkz n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hkz n LEU 23 N 1.14 0.00 -4.71 1.04 4.32 -1.26 -5.13 117.00 112.40 3hkz n LEU 23 Ca 0.00 -1.20 -0.42 0.00 -0.02 0.00 0.00 56.01 54.37 3hkz n LEU 23 Cb 0.32 0.72 -0.03 0.00 -1.62 0.00 0.00 43.42 42.81 3hkz n LEU 23 CO 0.00 -0.21 0.72 -0.54 -1.22 0.00 0.00 177.39 176.14 3hkz s LYS 24 N -2.48 4.52 -0.59 3.23 1.02 -1.26 -4.30 119.74 119.88 3hkz s LYS 24 Ca 0.15 1.46 -0.15 0.00 0.02 0.00 0.00 55.97 57.45 3hkz s LYS 24 Cb 0.01 -3.46 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3hkz s LYS 24 CO 0.10 -0.12 0.64 0.09 -0.92 0.00 0.00 175.35 175.15 3hkz n ASN 25 N 4.08 -6.63 -3.62 2.83 3.02 -1.26 -5.03 115.26 108.65 3hkz n ASN 25 Ca 0.07 -0.11 -0.16 0.00 -0.03 0.00 0.00 54.58 54.35 3hkz n ASN 25 Cb 0.50 -3.63 -0.07 0.00 -0.61 0.00 0.00 39.78 35.97 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 -3.41 -0.01 -0.14 3.41 1.98 -1.26 -4.04 118.68 115.20 3hkz s LEU 26 Ca 0.17 0.44 -0.04 0.00 -2.89 0.00 0.00 54.13 51.82 3hkz s LEU 26 Cb -0.03 2.00 0.07 0.00 0.66 0.00 0.00 46.19 48.88 3hkz s LEU 26 CO 0.82 -0.54 0.17 -0.44 -1.89 0.00 0.00 176.35 174.47 3hkz s SER 27 N -1.26 1.25 -0.98 3.68 0.01 -0.80 -0.66 113.70 114.94 3hkz s SER 27 Ca -0.12 -0.03 -0.24 0.00 1.31 0.00 0.00 55.95 56.88 3hkz s SER 27 Cb -0.02 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.46 3hkz s SER 27 CO 0.07 -0.29 1.52 -0.04 0.41 0.00 0.00 173.24 174.91 3hkz s MET 28 N 2.28 3.38 -0.99 12.44 -1.94 -1.20 -2.04 119.30 131.24 3hkz s MET 28 Ca 0.04 -0.90 -0.23 0.00 -1.71 0.00 0.00 55.69 52.89 3hkz s MET 28 Cb -0.14 -5.21 0.05 0.00 2.01 0.00 0.00 34.83 31.53 3hkz s MET 28 CO -0.09 -2.40 1.44 0.08 -0.01 0.00 0.00 175.02 174.04 3hkz s VAL 29 N 5.90 3.90 0.39 -6.03 1.01 -0.68 -4.26 120.40 120.63 3hkz s VAL 29 Ca 0.49 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 3hkz s VAL 29 Cb -0.02 -5.04 -0.09 0.00 0.00 0.00 0.00 36.38 31.23 3hkz s VAL 29 CO -0.06 -1.93 1.07 0.20 0.00 0.00 0.00 175.10 174.38 3hkz s ASN 30 N 4.87 6.74 0.01 3.32 -0.87 -1.17 -3.46 114.94 124.38 3hkz s ASN 30 Ca 0.45 2.11 -0.07 0.00 -1.57 0.00 0.00 52.86 53.78 3hkz s ASN 30 Cb -0.01 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 3hkz s ASN 30 CO -0.07 -0.51 0.14 -0.04 -2.57 0.00 0.00 177.10 174.05 3hkz s MET 31 N -2.38 0.50 -0.02 -0.60 -1.94 0.64 -1.57 119.30 113.93 3hkz s MET 31 Ca 0.57 -0.43 0.07 0.00 -1.71 0.00 0.00 55.69 54.19 3hkz s MET 31 Cb -0.24 0.21 -0.02 0.00 2.01 0.00 0.00 34.83 36.79 3hkz s MET 31 CO 0.31 -0.12 -0.25 -1.54 -0.01 0.00 0.00 175.02 173.41 3hkz s SER 32 N -1.47 2.91 0.00 3.03 1.04 -1.17 -0.32 113.70 117.73 3hkz s SER 32 Ca -0.14 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3hkz s SER 32 Cb -0.07 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.65 3hkz s SER 32 CO 0.01 0.29 0.00 0.00 0.98 0.00 0.00 173.24 174.52 3hkz n ASN 34 N 0.00 5.98 0.00 0.00 3.02 -1.26 -4.70 115.26 118.31 3hkz n ASN 34 Ca 0.00 -3.59 0.00 0.00 -0.03 0.00 0.00 54.58 50.96 3hkz n ASN 34 Cb 0.00 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 3hkz n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkz n GLY 35 N 0.33 3.11 3.61 7.41 0.00 -1.26 -5.02 105.19 113.37 3hkz n GLY 35 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.63 3.15 -0.18 1.61 0.40 -1.26 -4.75 117.98 115.32 3hkz s PHE 36 Ca 0.00 0.86 -0.29 0.00 -0.60 0.00 0.00 56.93 56.90 3hkz s PHE 36 Cb 0.00 -3.44 -0.00 0.00 0.51 0.00 0.00 43.02 40.09 3hkz s PHE 36 CO 0.00 -0.69 1.05 -0.80 0.70 0.00 0.00 175.22 175.48 3hkz s ASN 37 N 1.71 7.13 0.04 1.36 0.01 -1.19 -1.19 114.94 122.81 3hkz s ASN 37 Ca 0.36 1.47 0.08 0.00 -0.71 0.00 0.00 52.86 54.06 3hkz s ASN 37 Cb -0.13 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 3hkz s ASN 37 CO 0.15 -0.60 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.21 3hkz s VAL 38 N 2.81 1.93 -0.29 1.60 1.01 0.56 -3.28 120.40 124.74 3hkz s VAL 38 Ca 0.47 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 3hkz s VAL 38 Cb -0.17 -1.65 0.13 0.00 0.00 0.00 0.00 36.38 34.69 3hkz s VAL 38 CO 0.11 0.31 1.00 -0.94 0.00 0.00 0.00 175.10 175.58 3hkz s SER 39 N -1.18 -0.48 0.04 3.32 1.04 -1.19 0.23 113.70 115.48 3hkz s SER 39 Ca 0.10 0.84 0.01 0.00 0.48 0.00 0.00 55.95 57.38 3hkz s SER 39 Cb -0.09 1.04 -0.04 0.00 0.10 0.00 0.00 66.02 67.03 3hkz s SER 39 CO 0.02 -0.14 0.11 -0.36 0.98 0.00 0.00 173.24 173.85 3hkz s PHE 40 N 0.83 3.30 0.48 5.02 0.40 -1.22 -1.72 117.98 125.07 3hkz s PHE 40 Ca -0.03 0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 56.27 3hkz s PHE 40 Cb -0.04 -1.71 -0.08 0.00 0.51 0.00 0.00 43.02 41.70 3hkz s PHE 40 CO -0.11 0.55 1.06 -0.51 0.70 0.00 0.00 175.22 176.91 3hkz s ASP 41 N -2.10 6.27 0.02 1.36 1.01 0.97 -1.69 116.67 122.50 3hkz s ASP 41 Ca 0.27 2.01 -0.26 0.00 0.71 0.00 0.00 52.55 55.29 3hkz s ASP 41 Cb -0.12 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.30 3hkz s ASP 41 CO 0.19 -0.84 0.59 -0.63 0.21 0.00 0.00 175.17 174.70 3hkz s ILE 42 N -1.87 0.01 0.11 0.77 -1.09 -0.86 -4.54 121.20 113.72 3hkz s ILE 42 Ca 0.67 -0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.97 3hkz s ILE 42 Cb -0.19 -0.97 -0.04 0.00 -1.58 0.00 0.00 42.46 39.68 3hkz s ILE 42 CO 0.23 -0.06 0.28 -0.63 -1.23 0.00 0.00 174.94 173.52 3hkz s ILE 43 N -2.02 5.32 0.04 2.92 1.01 -1.26 -1.91 121.20 125.29 3hkz s ILE 43 Ca -0.07 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 3hkz s ILE 43 Cb -0.01 -3.66 -0.22 0.00 0.01 0.00 0.00 42.46 38.57 3hkz s ILE 43 CO 0.02 0.04 1.15 0.44 0.00 0.00 0.00 174.94 176.59 3hkz h ASP 44 N 2.71 0.69 -0.39 3.58 5.19 -1.93 -3.19 116.42 123.07 3hkz h ASP 44 Ca -0.46 -0.74 0.01 0.00 -0.62 0.00 0.00 57.03 55.22 3hkz h ASP 44 Cb 1.17 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.45 3hkz h ASP 44 CO 0.73 1.33 0.26 0.77 -3.12 0.00 0.00 179.24 179.21 3hkz h SER 45 N 0.12 0.44 0.00 6.45 4.64 -1.95 -2.55 113.55 120.69 3hkz h SER 45 Ca -0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3hkz h SER 45 Cb 1.43 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3hkz h SER 45 CO 0.15 0.32 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 3hkz n ILE 46 N -4.48 0.00 -1.47 0.95 3.06 -1.20 -4.95 119.36 111.27 3hkz n ILE 46 Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 3hkz n ILE 46 Cb 0.07 -0.78 0.00 0.00 0.54 0.00 0.00 39.64 39.47 3hkz n ILE 46 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3hkz n ASN 47 N -0.98 -7.43 0.00 9.51 4.13 -0.96 -4.97 115.26 114.56 3hkz n ASN 47 Ca 0.10 1.01 0.00 0.00 1.68 0.00 0.00 54.58 57.36 3hkz n ASN 47 Cb 0.04 -3.65 0.00 0.00 -1.54 0.00 0.00 39.78 34.64 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 0.60 0.00 -3.71 2.41 5.41 -1.26 -4.95 119.36 117.87 3hkz n ILE 48 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 3hkz n ILE 48 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 3hkz n ILE 48 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3hkz n PHE 49 N 0.00 -1.18 -2.87 1.39 3.01 -1.26 -5.17 117.46 111.38 3hkz n PHE 49 Ca 0.00 -1.16 -0.24 0.00 1.01 0.00 0.00 57.45 57.07 3hkz n PHE 49 Cb 0.00 0.34 0.01 0.00 -0.01 0.00 0.00 39.48 39.83 3hkz n PHE 49 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3hkz s SER 50 N -2.12 5.79 0.39 4.37 0.15 -1.26 -4.98 113.70 116.04 3hkz s SER 50 Ca 0.13 0.36 0.19 0.00 0.70 0.00 0.00 55.95 57.34 3hkz s SER 50 Cb -0.01 -1.56 1.15 0.00 -1.71 0.00 0.00 66.02 63.89 3hkz s SER 50 CO 0.10 -0.77 1.71 1.56 1.20 0.00 0.00 173.24 177.04 3hkz h GLN 51 N 0.29 0.32 -2.29 5.44 1.08 -1.93 -3.25 115.11 114.78 3hkz h GLN 51 Ca -0.46 -0.02 -0.44 0.00 -1.45 0.00 0.00 58.65 56.28 3hkz h GLN 51 Cb 1.25 -0.07 -0.35 0.00 -0.05 0.00 0.00 27.48 28.26 3hkz h GLN 51 CO 0.58 0.21 -0.73 0.21 -0.95 0.00 0.00 178.83 178.15 3hkz s LYS 52 N -5.51 0.46 0.46 1.46 2.20 -1.26 -3.63 119.74 113.94 3hkz s LYS 52 Ca -0.09 -0.74 0.07 0.00 -0.36 0.00 0.00 55.97 54.85 3hkz s LYS 52 Cb 0.27 -0.92 -0.00 0.00 -1.51 0.00 0.00 37.83 35.67 3hkz s LYS 52 CO 0.80 -1.13 0.39 -2.00 -0.36 0.00 0.00 175.35 173.05 3hkz s GLU 53 N 1.68 2.41 -0.13 4.03 2.12 -1.23 -4.86 118.70 122.72 3hkz s GLU 53 Ca 0.14 -1.71 0.00 0.00 0.36 0.00 0.00 54.97 53.76 3hkz s GLU 53 Cb -0.17 -2.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 3hkz s GLU 53 CO -0.15 -0.35 -0.14 0.15 -0.54 0.00 0.00 175.26 174.23 3hkz s LYS 54 N -4.18 3.33 -0.08 4.30 1.02 -1.26 -2.09 119.74 120.77 3hkz s LYS 54 Ca 0.44 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.65 3hkz s LYS 54 Cb -0.02 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.72 3hkz s LYS 54 CO 0.26 0.19 0.22 0.54 -0.92 0.00 0.00 175.35 175.65 3hkz s VAL 55 N 0.39 -0.00 0.01 3.17 0.11 -1.22 -4.28 120.40 118.57 3hkz s VAL 55 Ca -0.11 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 3hkz s VAL 55 Cb -0.16 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3hkz s VAL 55 CO 0.06 0.01 0.19 -0.54 -3.33 0.00 0.00 175.10 171.49 3hkz s LYS 56 N 0.24 3.45 -0.22 1.54 1.02 0.16 -2.78 119.74 123.15 3hkz s LYS 56 Ca -0.01 -0.33 -0.00 0.00 0.02 0.00 0.00 55.97 55.65 3hkz s LYS 56 Cb -0.03 -3.08 0.06 0.00 -0.52 0.00 0.00 37.83 34.26 3hkz s LYS 56 CO -0.01 0.66 -0.03 0.08 -0.92 0.00 0.00 175.35 175.13 3hkz s VAL 57 N -1.37 1.28 0.21 3.17 1.01 -0.84 -0.75 120.40 123.11 3hkz s VAL 57 Ca 0.29 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3hkz s VAL 57 Cb -0.13 -1.59 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 3hkz s VAL 57 CO 0.21 -0.11 0.94 0.27 0.00 0.00 0.00 175.10 176.41 3hkz s ILE 58 N 1.51 4.17 -0.48 2.22 -0.00 -1.23 -2.38 121.20 125.01 3hkz s ILE 58 Ca -0.04 2.08 0.08 0.00 -0.00 0.00 0.00 60.65 62.77 3hkz s ILE 58 Cb -0.18 -4.33 0.30 0.00 -0.00 0.00 0.00 42.46 38.25 3hkz s ILE 58 CO -0.07 0.46 0.74 -0.38 -0.00 0.00 0.00 174.94 175.69 3hkz n ILE 59 N 1.78 1.07 -3.91 8.37 5.41 -0.98 -1.66 119.36 129.44 3hkz n ILE 59 Ca -0.01 -4.84 -0.21 0.00 1.00 0.00 0.00 62.75 58.68 3hkz n ILE 59 Cb 0.47 -1.34 -0.04 0.00 -0.71 0.00 0.00 39.64 38.03 3hkz n ILE 59 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hkz s SER 60 N -2.42 5.39 0.08 4.38 1.04 -0.82 -4.27 113.70 117.09 3hkz s SER 60 Ca 0.41 -0.40 0.25 0.00 0.48 0.00 0.00 55.95 56.69 3hkz s SER 60 Cb 0.25 -1.13 0.59 0.00 0.10 0.00 0.00 66.02 65.82 3hkz s SER 60 CO -0.09 -0.25 1.50 0.29 0.98 0.00 0.00 173.24 175.68 3hkz n LYS 61 N -1.31 0.17 -0.60 4.02 5.02 -1.26 0.11 118.16 124.30 3hkz n LYS 61 Ca -0.04 0.07 -0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3hkz n LYS 61 Cb 0.59 -1.63 0.22 0.00 -0.02 0.00 0.00 35.03 34.19 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 -1.88 3.81 -3.77 4.39 5.03 -1.26 -4.81 115.26 116.76 3hkz n ASN 62 Ca 0.05 -2.67 -0.30 0.00 0.87 0.00 0.00 54.58 52.54 3hkz n ASN 62 Cb 0.40 -0.64 0.01 0.00 -1.02 0.00 0.00 39.78 38.53 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 0.18 -1.09 -1.56 3.52 0.63 -1.26 -4.65 116.66 112.42 3hkz n ARG 63 Ca 0.22 0.58 -0.13 0.00 -0.92 0.00 0.00 57.85 57.60 3hkz n ARG 63 Cb 0.92 -3.07 -0.09 0.00 0.45 0.00 0.00 32.46 30.67 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 -3.52 0.39 -0.37 -0.14 -0.02 -1.26 -4.88 135.00 125.20 3hkz n PRO 64 Ca -0.18 -1.14 -0.12 0.00 -2.02 0.00 0.00 63.50 60.04 3hkz n PRO 64 Cb 0.62 -3.76 -0.00 0.00 -0.02 0.00 0.00 33.50 30.33 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 19.10 -0.64 -2.29 2.55 3.41 -1.26 -4.99 113.62 129.49 3hkz n SER 65 Ca 0.45 0.25 -0.06 0.00 -0.26 0.00 0.00 58.87 59.25 3hkz n SER 65 Cb 0.44 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 3hkz n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hkz n TYR 66 N -0.19 -1.85 -3.93 7.33 4.11 -1.26 -5.16 117.16 116.21 3hkz n TYR 66 Ca 0.04 -1.24 -0.12 0.00 -0.00 0.00 0.00 57.90 56.58 3hkz n TYR 66 Cb 0.10 0.62 -0.02 0.00 -0.00 0.00 0.00 39.34 40.04 3hkz n TYR 66 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 3hkz n SER 67 N -1.33 -1.37 -0.27 9.48 3.41 -1.26 -5.06 113.62 117.21 3hkz n SER 67 Ca -0.06 -2.60 0.01 0.00 -0.26 0.00 0.00 58.87 55.96 3hkz n SER 67 Cb 0.41 2.48 0.05 0.00 -0.26 0.00 0.00 64.21 66.89 3hkz n SER 67 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hkz n HIS 68 N -0.50 0.09 0.14 7.33 8.25 -1.26 -0.33 115.22 128.95 3hkz n HIS 68 Ca -0.01 0.87 0.02 0.00 -0.26 0.00 0.00 57.72 58.34 3hkz n HIS 68 Cb 0.52 -0.81 0.08 0.00 1.12 0.00 0.00 29.99 30.90 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 -5.08 0.00 -4.68 0.41 10.43 -1.26 -4.53 116.55 111.83 3hkz n ASP 69 Ca 0.09 0.39 -0.35 0.00 2.57 0.00 0.00 54.79 57.49 3hkz n ASP 69 Cb 0.31 -0.41 -0.09 0.00 1.84 0.00 0.00 41.12 42.76 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 -2.83 5.61 -0.48 -2.24 1.11 0.55 -4.71 116.67 113.68 3hkz s ASP 70 Ca 0.02 0.16 -0.19 0.00 0.18 0.00 0.00 52.55 52.72 3hkz s ASP 70 Cb 0.02 -1.83 0.05 0.00 1.07 0.00 0.00 42.92 42.23 3hkz s ASP 70 CO 0.06 0.28 0.58 0.12 1.18 0.00 0.00 175.17 177.39 3hkz s PHE 71 N -0.25 3.08 -0.01 4.23 5.36 0.81 -4.81 117.98 126.40 3hkz s PHE 71 Ca 0.08 -0.45 0.03 0.00 -0.96 0.00 0.00 56.93 55.63 3hkz s PHE 71 Cb -0.12 -3.37 -0.01 0.00 -0.34 0.00 0.00 43.02 39.18 3hkz s PHE 71 CO 0.02 -0.93 -0.09 0.00 -1.46 0.00 0.00 175.22 172.75 3hkz n GLY 73 N 2.86 3.06 3.15 0.00 0.00 0.27 -4.97 105.19 109.57 3hkz n GLY 73 Ca -0.13 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 3hkz n GLY 73 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hkz s HIS 74 N -4.81 0.06 0.00 1.61 -3.43 -1.26 -0.70 115.29 106.77 3hkz s HIS 74 Ca 0.03 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.05 3hkz s HIS 74 Cb -0.00 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 3hkz s HIS 74 CO 0.02 -0.37 0.00 0.41 -2.00 0.00 0.00 174.74 172.80 3hkz n GLY 75 N 0.97 1.22 0.15 -1.38 0.00 0.73 -4.20 105.19 102.68 3hkz n GLY 75 Ca -0.20 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 3hkz n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkz n TYR 76 N 0.00 0.02 -4.40 1.61 4.01 -0.22 -0.37 117.16 117.81 3hkz n TYR 76 Ca 0.00 -0.11 -0.23 0.00 -0.16 0.00 0.00 57.90 57.40 3hkz n TYR 76 Cb 0.00 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 38.89 3hkz n TYR 76 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hkz s ILE 77 N -1.39 1.52 -0.11 -0.72 -1.09 -1.26 -1.67 121.20 116.48 3hkz s ILE 77 Ca 0.01 -1.31 -0.05 0.00 -2.23 0.00 0.00 60.65 57.07 3hkz s ILE 77 Cb 0.00 -1.37 0.05 0.00 -1.58 0.00 0.00 42.46 39.56 3hkz s ILE 77 CO 0.00 0.02 0.26 -0.69 -1.23 0.00 0.00 174.94 173.30 3hkz s VAL 78 N -1.00 -0.13 0.12 2.92 1.01 -0.45 -4.86 120.40 118.01 3hkz s VAL 78 Ca 0.05 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.25 3hkz s VAL 78 Cb -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3hkz s VAL 78 CO 0.03 0.07 -0.10 -0.89 0.00 0.00 0.00 175.10 174.21 3hkz s THR 79 N 1.55 1.03 0.00 3.92 2.01 -1.26 -2.06 115.64 120.83 3hkz s THR 79 Ca -0.07 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.02 3hkz s THR 79 Cb -0.11 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.72 3hkz s THR 79 CO -0.09 -0.71 0.00 -1.84 -0.69 0.00 0.00 174.62 171.29 3hkz n GLU 80 N 0.06 0.00 -0.02 4.92 0.28 -1.26 -5.04 120.64 119.58 3hkz n GLU 80 Ca -0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.86 3hkz n GLU 80 Cb 0.60 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.42 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 0.00 0.00 -4.82 -1.84 4.32 -1.26 -4.99 117.00 108.41 3hkz n LEU 81 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.73 3hkz n LEU 81 Cb 0.00 0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 41.86 3hkz n LEU 81 CO 0.00 0.11 -0.07 -1.59 -1.22 0.00 0.00 177.39 174.61 3hkz s LYS 82 N -2.19 2.27 -0.19 3.23 -2.85 -1.26 -4.72 119.74 114.03 3hkz s LYS 82 Ca -0.03 -1.95 0.00 0.00 -1.00 0.00 0.00 55.97 53.00 3hkz s LYS 82 Cb 0.02 -2.01 0.04 0.00 -2.06 0.00 0.00 37.83 33.82 3hkz s LYS 82 CO 0.23 -0.35 -0.09 0.34 0.10 0.00 0.00 175.35 175.58 3hkz s ASP 83 N -4.07 3.19 -0.20 0.03 3.68 0.51 -4.80 116.67 115.01 3hkz s ASP 83 Ca 0.35 -0.79 -0.02 0.00 2.13 0.00 0.00 52.55 54.22 3hkz s ASP 83 Cb 0.01 -1.15 0.00 0.00 -1.45 0.00 0.00 42.92 40.33 3hkz s ASP 83 CO 0.20 -0.15 -0.11 -0.94 0.13 0.00 0.00 175.17 174.30 3hkz s SER 84 N 1.46 3.80 0.67 -0.34 1.04 -0.88 0.79 113.70 120.25 3hkz s SER 84 Ca -0.00 -0.49 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 3hkz s SER 84 Cb -0.16 -1.63 0.05 0.00 0.10 0.00 0.00 66.02 64.38 3hkz s SER 84 CO -0.08 -0.00 0.98 -0.55 0.98 0.00 0.00 173.24 174.57 3hkz s SER 85 N 1.34 5.04 -0.16 7.02 0.15 0.51 -1.34 113.70 126.26 3hkz s SER 85 Ca 0.04 0.54 -0.09 0.00 0.70 0.00 0.00 55.95 57.14 3hkz s SER 85 Cb -0.14 -1.28 0.06 0.00 -1.71 0.00 0.00 66.02 62.95 3hkz s SER 85 CO -0.07 -1.45 0.39 -0.22 1.20 0.00 0.00 173.24 173.10 3hkz s LEU 86 N -5.18 0.01 -0.95 3.45 2.96 -0.67 -2.59 118.68 115.71 3hkz s LEU 86 Ca 0.58 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 55.32 3hkz s LEU 86 Cb -0.11 1.27 0.30 0.00 0.50 0.00 0.00 46.19 48.15 3hkz s LEU 86 CO 0.45 -0.19 1.31 0.59 -1.32 0.00 0.00 176.35 177.19 3hkz n ASN 87 N 4.16 5.78 0.00 3.68 4.13 -0.83 -1.06 115.26 131.12 3hkz n ASN 87 Ca -0.23 -3.45 0.00 0.00 1.68 0.00 0.00 54.58 52.58 3hkz n ASN 87 Cb 0.55 -1.10 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 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 1.07 0.00 0.00 6.41 3.02 -1.26 -4.28 115.26 120.21 3hkz n ASN 88 Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 3hkz n ASN 88 Cb 0.35 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 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 -0.33 1.00 3.67 7.41 0.00 -1.26 -5.13 105.19 110.56 3hkz n GLY 89 Ca 0.00 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3hkz n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hkz n ASN 90 N 0.00 0.77 -4.61 1.61 4.13 -1.26 -5.02 115.26 110.88 3hkz n ASN 90 Ca 0.00 0.56 -0.24 0.00 1.68 0.00 0.00 54.58 56.58 3hkz n ASN 90 Cb 0.00 -1.49 -0.08 0.00 -1.54 0.00 0.00 39.78 36.67 3hkz n ASN 90 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3hkz s LYS 91 N -4.13 2.09 -0.15 3.52 1.02 -1.26 -1.97 119.74 118.87 3hkz s LYS 91 Ca 0.72 -1.64 -0.06 0.00 0.02 0.00 0.00 55.97 55.00 3hkz s LYS 91 Cb -0.28 -1.98 0.06 0.00 -0.52 0.00 0.00 37.83 35.11 3hkz s LYS 91 CO 0.53 0.24 0.32 0.71 -0.92 0.00 0.00 175.35 176.23 3hkz s TYR 92 N -2.45 -0.52 0.14 3.18 2.02 -1.07 -0.02 117.35 118.63 3hkz s TYR 92 Ca 0.33 1.11 0.08 0.00 -0.37 0.00 0.00 57.07 58.21 3hkz s TYR 92 Cb -0.03 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.61 3hkz s TYR 92 CO 0.19 -0.35 -0.18 0.95 -1.57 0.00 0.00 175.55 174.59 3hkz s THR 93 N 1.99 1.64 0.00 -0.71 -4.23 -0.70 0.19 115.64 113.83 3hkz s THR 93 Ca -0.04 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3hkz s THR 93 Cb -0.11 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 3hkz s THR 93 CO -0.10 -0.28 -0.03 -0.89 -0.54 0.00 0.00 174.62 172.78 3hkz s THR 94 N -1.86 0.19 -0.02 3.99 2.01 0.24 -3.19 115.64 117.00 3hkz s THR 94 Ca 0.11 -0.28 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 3hkz s THR 94 Cb -0.07 -0.20 0.02 0.00 0.01 0.00 0.00 72.50 72.27 3hkz s THR 94 CO 0.05 -0.06 0.03 -0.63 -0.69 0.00 0.00 174.62 173.31 3hkz s ILE 95 N -0.34 -0.04 0.18 1.82 1.01 -1.21 0.19 121.20 122.81 3hkz s ILE 95 Ca -0.02 0.14 0.11 0.00 0.00 0.00 0.00 60.65 60.88 3hkz s ILE 95 Cb -0.03 -0.06 -0.04 0.00 0.01 0.00 0.00 42.46 42.33 3hkz s ILE 95 CO -0.00 0.06 -0.24 -0.63 0.00 0.00 0.00 174.94 174.12 3hkz s ILE 96 N 0.71 2.36 0.00 2.92 -1.09 -1.26 -3.18 121.20 121.66 3hkz s ILE 96 Ca -0.06 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.41 3hkz s ILE 96 Cb -0.08 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 3hkz s ILE 96 CO -0.02 -0.07 0.33 -1.20 -1.23 0.00 0.00 174.94 172.75 3hkz n SER 97 N 0.41 0.00 -3.80 3.58 7.64 -1.26 -4.72 113.62 115.47 3hkz n SER 97 Ca -0.14 0.33 -0.10 0.00 1.01 0.00 0.00 58.87 59.97 3hkz n SER 97 Cb 0.55 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 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 -1.86 1.15 -0.22 -3.43 2.96 -1.26 -5.05 118.68 110.97 3hkz s LEU 98 Ca 0.00 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 3hkz s LEU 98 Cb 0.00 1.21 0.03 0.00 0.50 0.00 0.00 46.19 47.93 3hkz s LEU 98 CO 0.00 -0.70 0.16 -1.22 -1.32 0.00 0.00 176.35 173.27 3hkz n TYR 99 N 0.15 -4.16 -4.45 5.38 4.01 -1.26 -5.07 117.16 111.76 3hkz n TYR 99 Ca -0.16 2.23 -0.22 0.00 -0.16 0.00 0.00 57.90 59.59 3hkz n TYR 99 Cb 0.61 -3.86 -0.13 0.00 -0.31 0.00 0.00 39.34 35.65 3hkz n TYR 99 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3hkz s GLY 100 N -0.96 0.95 0.00 2.72 0.00 -1.26 -4.94 107.32 103.83 3hkz s GLY 100 Ca -0.18 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.58 3hkz s GLY 100 CO 0.76 -0.92 0.00 1.04 0.00 0.00 0.00 173.10 173.99 3hkz n LEU 101 N 1.78 0.00 -0.37 0.66 7.99 -1.26 -4.40 117.00 121.41 3hkz n LEU 101 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 3hkz n LEU 101 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 3hkz n LEU 101 CO 0.23 0.00 0.09 0.18 -1.51 0.00 0.00 177.39 176.38 3hkz n LEU 102 N 0.00 0.21 -2.19 2.23 4.77 -1.26 -1.95 117.00 118.81 3hkz n LEU 102 Ca 0.00 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.59 3hkz n LEU 102 Cb 0.00 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3hkz n LEU 102 CO 0.00 0.05 1.38 0.55 -1.33 0.00 0.00 177.39 178.04 3hkz n VAL 103 N 0.13 3.34 -3.86 4.08 3.14 -1.26 -4.95 118.33 118.95 3hkz n VAL 103 Ca 0.00 -2.52 0.00 0.00 -2.96 0.00 0.00 64.34 58.87 3hkz n VAL 103 Cb 0.05 -1.23 0.01 0.00 -1.06 0.00 0.00 33.84 31.61 3hkz n VAL 103 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 3hkz s LYS 104 N -3.12 0.73 -0.25 1.45 -2.85 -0.82 -5.04 119.74 109.84 3hkz s LYS 104 Ca 0.53 -0.46 -0.24 0.00 -1.00 0.00 0.00 55.97 54.81 3hkz s LYS 104 Cb 0.42 0.22 -0.26 0.00 -2.06 0.00 0.00 37.83 36.14 3hkz s LYS 104 CO -0.02 -0.34 1.64 -0.89 0.10 0.00 0.00 175.35 175.84 3hkz n ILE 105 N -0.72 0.61 -2.77 3.79 5.41 -1.26 -4.83 119.36 119.59 3hkz n ILE 105 Ca -0.02 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.81 3hkz n ILE 105 Cb 0.60 -2.03 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 3hkz n ILE 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3hkz s ILE 106 N 6.04 4.30 -0.16 1.39 2.07 -1.26 -4.93 121.20 128.65 3hkz s ILE 106 Ca 0.56 -0.82 -0.01 0.00 -1.41 0.00 0.00 60.65 58.97 3hkz s ILE 106 Cb 0.13 -4.84 0.04 0.00 0.13 0.00 0.00 42.46 37.92 3hkz s ILE 106 CO 0.23 -1.65 -0.01 -0.44 -1.91 0.00 0.00 174.94 171.16 3hkz s SER 107 N 4.00 2.60 0.00 4.50 0.01 -1.26 -5.03 113.70 118.53 3hkz s SER 107 Ca 0.34 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.00 3hkz s SER 107 Cb -0.07 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.44 3hkz s SER 107 CO -0.02 -0.22 0.31 0.59 0.41 0.00 0.00 173.24 174.31 3hkz n ASN 108 N 4.98 0.00 -2.61 2.44 3.02 -1.26 -4.60 115.26 117.23 3hkz n ASN 108 Ca -0.10 -1.16 -0.11 0.00 -0.03 0.00 0.00 54.58 53.19 3hkz n ASN 108 Cb 0.48 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 3hkz n ASN 108 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hkz n LYS 109 N 2.53 1.03 -2.35 3.52 5.02 -1.26 -4.58 118.16 122.07 3hkz n LYS 109 Ca 0.00 -1.37 -0.37 0.00 -2.02 0.00 0.00 58.31 54.55 3hkz n LYS 109 Cb 0.00 0.62 -0.02 0.00 -0.02 0.00 0.00 35.03 35.61 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 -2.64 3.90 -0.06 1.97 2.12 -1.26 -4.45 118.70 118.27 3hkz s GLU 110 Ca 0.05 1.69 -0.23 0.00 0.36 0.00 0.00 54.97 56.84 3hkz s GLU 110 Cb 0.00 -2.45 0.05 0.00 0.26 0.00 0.00 34.13 31.99 3hkz s GLU 110 CO 0.04 -0.41 0.53 -1.54 -0.54 0.00 0.00 175.26 173.33 3hkz s SER 111 N -1.43 -0.48 -0.13 -1.70 1.04 0.50 -4.64 113.70 106.87 3hkz s SER 111 Ca 0.62 0.56 -0.11 0.00 0.48 0.00 0.00 55.95 57.49 3hkz s SER 111 Cb -0.26 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3hkz s SER 111 CO 0.32 -0.48 0.24 -0.36 0.98 0.00 0.00 173.24 173.94 3hkz s PHE 112 N -0.99 3.54 -0.22 5.02 0.40 0.30 -0.19 117.98 125.83 3hkz s PHE 112 Ca -0.10 0.59 -0.03 0.00 -0.60 0.00 0.00 56.93 56.79 3hkz s PHE 112 Cb -0.03 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.33 3hkz s PHE 112 CO 0.06 0.47 -0.06 -1.17 0.70 0.00 0.00 175.22 175.22 3hkz s LEU 113 N -0.26 2.89 -0.44 -0.37 0.20 0.13 -1.94 118.68 118.89 3hkz s LEU 113 Ca 0.16 -0.55 0.08 0.00 0.69 0.00 0.00 54.13 54.50 3hkz s LEU 113 Cb -0.13 -1.69 0.27 0.00 -0.43 0.00 0.00 46.19 44.21 3hkz s LEU 113 CO 0.04 -0.05 0.61 0.54 -0.29 0.00 0.00 176.35 177.20 3hkz n ARG 114 N 4.75 1.16 -2.28 1.98 1.74 -0.67 -0.56 116.66 122.77 3hkz n ARG 114 Ca -0.18 -3.56 -0.40 0.00 -0.77 0.00 0.00 57.85 52.94 3hkz n ARG 114 Cb 0.50 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 3hkz n ARG 114 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3hkz s THR 115 N -1.71 3.09 0.24 0.55 -4.23 0.17 -3.54 115.64 110.21 3hkz s THR 115 Ca 0.37 1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 61.83 3hkz s THR 115 Cb 0.20 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 3hkz s THR 115 CO -0.09 0.22 0.44 -0.94 -0.54 0.00 0.00 174.62 173.71 3hkz s SER 116 N -0.76 -0.04 0.00 3.99 1.04 0.07 -0.14 113.70 117.86 3hkz s SER 116 Ca 0.49 -1.00 0.20 0.00 0.48 0.00 0.00 55.95 56.12 3hkz s SER 116 Cb -0.35 0.56 0.16 0.00 0.10 0.00 0.00 66.02 66.49 3hkz s SER 116 CO 0.46 -1.11 1.13 0.00 0.98 0.00 0.00 173.24 174.70