#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkc n ASP 5 N 0.00 0.00 0.00 0.00 5.75 -1.26 -5.16 116.55 115.88 3hkc n ASP 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3hkc n ASP 5 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3hkc n ASP 5 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3hkc n MET 6 N 0.08 0.00 -2.19 0.11 2.81 -1.26 -5.09 117.12 111.58 3hkc n MET 6 Ca 0.00 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 3hkc n MET 6 Cb 0.00 -0.87 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 3hkc n MET 6 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3hkc n GLU 7 N -0.75 -5.37 -3.64 0.03 0.28 -1.26 -4.73 120.64 105.20 3hkc n GLU 7 Ca 0.00 3.81 -0.25 0.00 -0.16 0.00 0.00 57.16 60.56 3hkc n GLU 7 Cb 0.00 -4.36 -0.17 0.00 1.43 0.00 0.00 31.44 28.34 3hkc n GLU 7 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3hkc s VAL 8 N -0.53 -0.00 1.17 3.84 -7.23 -1.26 -4.31 120.40 112.07 3hkc s VAL 8 Ca 0.00 -0.12 -0.13 0.00 -1.81 0.00 0.00 61.98 59.91 3hkc s VAL 8 Cb 0.00 -0.57 0.29 0.00 0.56 0.00 0.00 36.38 36.65 3hkc s VAL 8 CO 0.00 -0.20 1.03 0.27 -0.31 0.00 0.00 175.10 175.89 3hkc s ILE 9 N 2.10 1.98 -0.39 -0.62 -0.00 -1.23 -4.95 121.20 118.10 3hkc s ILE 9 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.72 3hkc s ILE 9 Cb -0.16 -2.12 0.16 0.00 -0.00 0.00 0.00 42.46 40.35 3hkc s ILE 9 CO -0.08 0.00 0.45 -0.70 -0.00 0.00 0.00 174.94 174.61 3hkc s GLU 10 N -4.54 0.70 0.52 0.37 2.12 -1.26 -3.33 118.70 113.29 3hkc s GLU 10 Ca 0.68 -0.75 -0.20 0.00 0.36 0.00 0.00 54.97 55.06 3hkc s GLU 10 Cb -0.24 -0.52 -0.07 0.00 0.26 0.00 0.00 34.13 33.56 3hkc s GLU 10 CO 0.64 -1.20 1.10 -0.48 -0.54 0.00 0.00 175.26 174.77 3hkc s LEU 11 N 1.48 3.80 -0.07 2.70 2.34 -1.26 -4.87 118.68 122.80 3hkc s LEU 11 Ca 0.17 2.09 -0.05 0.00 0.06 0.00 0.00 54.13 56.40 3hkc s LEU 11 Cb -0.12 -4.56 0.02 0.00 -0.56 0.00 0.00 46.19 40.97 3hkc s LEU 11 CO -0.04 -1.04 0.11 -3.20 -1.06 0.00 0.00 176.35 171.12 3hkc n ASN 12 N -1.13 -5.40 -4.69 1.48 4.05 -1.26 -3.62 115.26 104.68 3hkc n ASN 12 Ca 0.11 1.60 -0.35 0.00 0.45 0.00 0.00 54.58 56.39 3hkc n ASN 12 Cb 0.51 -5.14 -0.09 0.00 1.23 0.00 0.00 39.78 36.29 3hkc n ASN 12 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3hkc s LYS 13 N -0.67 3.00 0.43 1.20 1.02 -1.26 -1.67 119.74 121.79 3hkc s LYS 13 Ca -0.13 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 55.50 3hkc s LYS 13 Cb 0.01 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 3hkc s LYS 13 CO 0.34 0.70 0.13 0.00 -0.92 0.00 0.00 175.35 175.61 3hkc h THR 15 N 1.70 0.00 -2.02 0.00 1.03 -2.05 -3.34 112.91 108.23 3hkc h THR 15 Ca -0.35 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.49 3hkc h THR 15 Cb 1.28 0.00 -0.42 0.00 -1.07 0.00 0.00 68.15 67.94 3hkc h THR 15 CO 0.56 0.00 -0.76 -1.54 -0.01 0.00 0.00 175.52 173.77 3hkc n SER 16 N -3.98 3.89 -3.59 0.00 3.41 -1.26 -5.06 113.62 107.02 3hkc n SER 16 Ca -0.08 -3.55 0.02 0.00 -0.26 0.00 0.00 58.87 54.99 3hkc n SER 16 Cb 0.27 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.67 3hkc n SER 16 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hkc s GLY 17 N -3.33 -0.42 -0.11 5.00 0.00 -1.25 -5.17 107.32 102.03 3hkc s GLY 17 Ca 0.46 1.00 -0.09 0.00 0.00 0.00 0.00 44.72 46.10 3hkc s GLY 17 CO -0.13 0.23 0.30 1.62 0.00 0.00 0.00 173.10 175.11 3hkc s GLN 18 N -2.21 0.32 0.44 2.90 0.74 -1.26 -1.66 119.66 118.92 3hkc s GLN 18 Ca 0.14 0.47 0.06 0.00 0.05 0.00 0.00 55.36 56.07 3hkc s GLN 18 Cb 0.05 0.09 -0.05 0.00 1.10 0.00 0.00 33.01 34.20 3hkc s GLN 18 CO -0.05 -0.08 0.06 -1.12 -0.55 0.00 0.00 175.29 173.55 3hkc s SER 19 N 0.50 4.07 0.00 6.67 0.01 -0.67 -5.04 113.70 119.24 3hkc s SER 19 Ca -0.03 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.86 3hkc s SER 19 Cb -0.04 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.02 3hkc s SER 19 CO -0.03 -0.59 0.00 2.22 0.41 0.00 0.00 173.24 175.25 3hkc n PHE 20 N -1.12 0.00 -1.71 2.43 1.16 -1.24 -4.27 117.46 112.70 3hkc n PHE 20 Ca -0.07 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.21 3hkc n PHE 20 Cb 0.66 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.63 3hkc n PHE 20 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 3hkc s GLU 21 N 0.00 1.86 -0.40 3.97 -1.05 -1.21 -4.91 118.70 116.95 3hkc s GLU 21 Ca 0.00 0.32 0.07 0.00 -0.15 0.00 0.00 54.97 55.21 3hkc s GLU 21 Cb 0.00 -1.92 0.22 0.00 -0.44 0.00 0.00 34.13 31.99 3hkc s GLU 21 CO 0.00 -1.71 0.48 1.55 0.95 0.00 0.00 175.26 176.54 3hkc n VAL 22 N -3.44 -0.82 -1.68 1.83 3.14 -1.26 -3.52 118.33 112.58 3hkc n VAL 22 Ca 0.07 -3.67 -0.45 0.00 -2.96 0.00 0.00 64.34 57.33 3hkc n VAL 22 Cb 0.59 -1.67 -0.04 0.00 -1.06 0.00 0.00 33.84 31.66 3hkc n VAL 22 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3hkc n ILE 23 N 1.89 0.33 -0.05 1.55 5.41 -1.26 -4.89 119.36 122.34 3hkc n ILE 23 Ca 0.23 -0.06 -0.06 0.00 1.00 0.00 0.00 62.75 63.86 3hkc n ILE 23 Cb 0.52 -1.87 -0.05 0.00 -0.71 0.00 0.00 39.64 37.53 3hkc n ILE 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3hkc n LEU 24 N 5.30 2.20 -3.73 1.39 0.00 -1.26 -4.76 117.00 116.14 3hkc n LEU 24 Ca 0.19 -0.04 -0.23 0.00 0.00 0.00 0.00 56.01 55.93 3hkc n LEU 24 Cb 0.32 -0.20 -0.17 0.00 0.00 0.00 0.00 43.42 43.37 3hkc n LEU 24 CO 0.67 0.54 -0.37 -0.54 0.00 0.00 0.00 177.39 177.70 3hkc s LYS 25 N -2.19 0.40 0.07 1.96 1.02 -1.26 -4.95 119.74 114.79 3hkc s LYS 25 Ca -0.11 0.10 -0.18 0.00 0.02 0.00 0.00 55.97 55.81 3hkc s LYS 25 Cb 0.03 -1.06 -0.10 0.00 -0.52 0.00 0.00 37.83 36.18 3hkc s LYS 25 CO 0.25 -0.38 0.40 -2.30 -0.92 0.00 0.00 175.35 172.40 3hkc n PRO 26 N 5.18 0.00 -0.30 -1.68 -0.02 -1.26 -4.82 135.00 132.10 3hkc n PRO 26 Ca -0.06 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.53 3hkc n PRO 26 Cb 0.50 -0.65 0.25 0.00 -0.02 0.00 0.00 33.50 33.57 3hkc n PRO 26 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hkc h PRO 27 N 0.98 0.10 -5.28 0.52 0.13 -2.02 -3.47 132.00 122.96 3hkc h PRO 27 Ca -0.20 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 3hkc h PRO 27 Cb 0.78 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3hkc h PRO 27 CO 0.33 0.06 -0.81 0.43 -0.23 0.00 0.00 178.00 177.78 3hkc n SER 28 N -5.36 -7.90 0.00 1.44 7.64 -1.26 -5.01 113.62 103.16 3hkc n SER 28 Ca 0.20 1.00 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3hkc n SER 28 Cb 0.65 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.72 3hkc n SER 28 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3hkc n PHE 29 N 0.30 0.00 0.00 1.43 3.01 -1.26 -5.30 117.46 115.65 3hkc n PHE 29 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 3hkc n PHE 29 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3hkc n PHE 29 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hkc n ASP 30 N 0.00 0.00 0.00 4.37 9.92 -1.26 -5.31 116.55 124.27 3hkc n ASP 30 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3hkc n ASP 30 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3hkc n ASP 30 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 3hkc n PRO 45 N 0.00 0.00 -0.01 -0.24 -0.04 -1.26 -5.24 135.00 128.22 3hkc n PRO 45 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3hkc n PRO 45 Cb 0.00 0.00 0.73 0.00 -0.04 0.00 0.00 33.50 34.19 3hkc n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hkc n SER 46 N 0.00 0.54 -3.16 3.54 2.88 -1.26 -5.04 113.62 111.13 3hkc n SER 46 Ca 0.00 -1.25 -0.23 0.00 -1.33 0.00 0.00 58.87 56.06 3hkc n SER 46 Cb 0.00 -0.01 0.02 0.00 -0.75 0.00 0.00 64.21 63.47 3hkc n SER 46 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3hkc n LEU 47 N -0.55 -2.19 0.00 2.46 -0.00 -1.26 -5.03 117.00 110.44 3hkc n LEU 47 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 3hkc n LEU 47 Cb 0.19 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 3hkc n LEU 47 CO 0.16 -1.90 0.00 1.21 -0.00 0.00 0.00 177.39 176.86 3hkc n GLU 48 N 1.90 0.00 0.00 1.96 4.07 -1.26 -4.77 120.64 122.53 3hkc n GLU 48 Ca -0.01 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 3hkc n GLU 48 Cb 0.44 -0.72 0.00 0.00 -0.06 0.00 0.00 31.44 31.10 3hkc n GLU 48 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3hkc n GLU 49 N -1.73 0.00 -2.12 5.31 2.13 -1.26 -4.06 120.64 118.91 3hkc n GLU 49 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 3hkc n GLU 49 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 3hkc n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3hkc n ILE 50 N 0.00 3.27 0.50 6.31 5.41 -1.26 -3.40 119.36 130.19 3hkc n ILE 50 Ca 0.00 -3.22 0.06 0.00 1.00 0.00 0.00 62.75 60.59 3hkc n ILE 50 Cb 0.00 -2.39 0.05 0.00 -0.71 0.00 0.00 39.64 36.59 3hkc n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hkc n GLN 51 N 7.61 0.70 0.00 0.38 -0.00 -1.26 -4.45 117.38 120.36 3hkc n GLN 51 Ca 0.49 -1.21 0.02 0.00 -0.00 0.00 0.00 57.00 56.30 3hkc n GLN 51 Cb 0.44 -1.23 0.11 0.00 -0.00 0.00 0.00 30.24 29.56 3hkc n GLN 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3hkc n LYS 52 N 0.66 0.89 -0.09 2.61 5.02 -1.22 -2.03 118.16 124.00 3hkc n LYS 52 Ca 0.07 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.20 3hkc n LYS 52 Cb 0.30 -1.07 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 3hkc n LYS 52 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hkc h LYS 53 N 0.00 0.00 0.00 1.97 3.11 -1.87 -3.36 116.57 116.41 3hkc h LYS 53 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3hkc h LYS 53 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 3hkc h LYS 53 CO 0.00 0.71 0.00 1.47 -2.81 0.00 0.00 179.45 178.82 3hkc n LEU 54 N -4.50 0.00 -0.11 5.20 -0.00 -0.86 -1.73 117.00 115.00 3hkc n LEU 54 Ca -0.24 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.64 3hkc n LEU 54 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.84 3hkc n LEU 54 CO 0.17 0.00 -1.20 -1.84 -0.00 0.00 0.00 177.39 174.52 3hkc n GLU 55 N -0.69 0.74 0.00 1.47 0.28 -1.12 -4.12 120.64 117.20 3hkc n GLU 55 Ca 0.06 0.09 0.03 0.00 -0.16 0.00 0.00 57.16 57.18 3hkc n GLU 55 Cb 0.03 -1.46 0.15 0.00 1.43 0.00 0.00 31.44 31.59 3hkc n GLU 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hkc n ALA 56 N -3.01 1.40 -0.02 -1.84 0.00 -0.71 0.50 120.51 116.83 3hkc n ALA 56 Ca -0.37 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 52.98 3hkc n ALA 56 Cb 0.99 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 3hkc n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkc n ALA 57 N -1.39 1.65 0.23 0.00 0.00 -0.96 -3.88 120.51 116.16 3hkc n ALA 57 Ca 0.02 -0.82 0.12 0.00 0.00 0.00 0.00 53.44 52.77 3hkc n ALA 57 Cb 0.06 -0.74 0.17 0.00 0.00 0.00 0.00 19.45 18.95 3hkc n ALA 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hkc h GLU 58 N 0.00 0.00 -0.82 0.00 4.81 -0.88 -2.71 114.58 114.98 3hkc h GLU 58 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3hkc h GLU 58 Cb 1.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.30 3hkc h GLU 58 CO 0.06 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.43 3hkc n GLU 59 N -3.07 2.33 0.01 1.92 4.07 0.18 -2.95 120.64 123.13 3hkc n GLU 59 Ca 0.04 -1.09 -0.01 0.00 -0.06 0.00 0.00 57.16 56.03 3hkc n GLU 59 Cb 0.53 -1.74 -0.00 0.00 -0.06 0.00 0.00 31.44 30.16 3hkc n GLU 59 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3hkc n ARG 60 N 0.22 0.03 0.04 5.31 1.74 -1.08 -4.21 116.66 118.71 3hkc n ARG 60 Ca 0.10 0.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.21 3hkc n ARG 60 Cb 0.56 -0.54 0.11 0.00 -1.02 0.00 0.00 32.46 31.57 3hkc n ARG 60 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3hkc n ARG 61 N -3.21 0.03 -0.11 5.56 0.63 -1.04 0.10 116.66 118.62 3hkc n ARG 61 Ca -0.02 0.41 -0.23 0.00 -0.92 0.00 0.00 57.85 57.09 3hkc n ARG 61 Cb 0.37 -1.77 -0.10 0.00 0.45 0.00 0.00 32.46 31.42 3hkc n ARG 61 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3hkc n LYS 62 N -1.55 0.56 0.26 -0.14 3.00 -1.15 -3.54 118.16 115.59 3hkc n LYS 62 Ca -0.00 0.42 0.10 0.00 -0.00 0.00 0.00 58.31 58.83 3hkc n LYS 62 Cb 0.18 -1.62 0.68 0.00 0.00 0.00 0.00 35.03 34.27 3hkc n LYS 62 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 3hkc h TYR 63 N -1.00 0.00 0.26 5.64 3.20 -0.62 1.68 116.97 126.13 3hkc h TYR 63 Ca -0.44 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.09 3hkc h TYR 63 Cb 1.34 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.65 3hkc h TYR 63 CO -0.04 0.09 -1.49 0.37 -1.64 0.00 0.00 178.16 175.45 3hkc h GLN 64 N 0.00 0.54 0.09 1.82 4.15 -0.54 -3.21 115.11 117.95 3hkc h GLN 64 Ca -0.00 -0.92 -0.00 0.00 0.77 0.00 0.00 58.65 58.49 3hkc h GLN 64 Cb 0.19 0.34 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3hkc h GLN 64 CO 0.01 1.44 -0.04 1.49 -1.93 0.00 0.00 178.83 179.80 3hkc h GLU 65 N 0.15 -0.11 -0.00 1.69 4.81 -1.44 -3.01 114.58 116.66 3hkc h GLU 65 Ca -0.26 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3hkc h GLU 65 Cb 2.17 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.58 3hkc h GLU 65 CO 0.28 0.30 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 3hkc n ALA 66 N -2.66 1.58 -0.03 2.92 0.00 0.57 -1.80 120.51 121.10 3hkc n ALA 66 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 3hkc n ALA 66 Cb 0.23 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3hkc n ALA 66 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3hkc n GLU 67 N -0.48 0.12 -0.03 0.00 0.28 -1.21 -4.14 120.64 115.18 3hkc n GLU 67 Ca 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 3hkc n GLU 67 Cb 0.00 -0.79 0.00 0.00 1.43 0.00 0.00 31.44 32.09 3hkc n GLU 67 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3hkc n LEU 68 N -3.11 2.02 0.06 -1.84 7.99 -0.74 -0.41 117.00 120.96 3hkc n LEU 68 Ca -0.10 -0.99 0.00 0.00 -0.01 0.00 0.00 56.01 54.90 3hkc n LEU 68 Cb 0.58 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 3hkc n LEU 68 CO 0.02 0.34 0.00 -0.11 -1.51 0.00 0.00 177.39 176.13 3hkc n LEU 69 N 0.77 0.77 0.00 2.23 7.94 -0.99 -4.60 117.00 123.12 3hkc n LEU 69 Ca 0.00 0.19 0.01 0.00 -1.11 0.00 0.00 56.01 55.10 3hkc n LEU 69 Cb 0.31 -0.17 0.06 0.00 0.53 0.00 0.00 43.42 44.16 3hkc n LEU 69 CO 0.00 -0.74 0.24 1.17 -1.11 0.00 0.00 177.39 176.95 3hkc n LYS 70 N -3.39 0.10 -0.00 1.96 0.00 -0.39 -0.42 118.16 116.02 3hkc n LYS 70 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.38 3hkc n LYS 70 Cb 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 35.03 33.60 3hkc n LYS 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3hkc n HIS 71 N -0.83 0.00 0.19 5.64 -0.00 0.45 -3.83 115.22 116.84 3hkc n HIS 71 Ca 0.02 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.31 3hkc n HIS 71 Cb 0.01 -0.22 -0.02 0.00 -0.12 0.00 0.00 29.99 29.64 3hkc n HIS 71 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3hkc n LEU 72 N -1.77 0.62 -0.23 0.27 7.99 0.44 -2.69 117.00 121.63 3hkc n LEU 72 Ca -0.01 0.19 0.01 0.00 -0.01 0.00 0.00 56.01 56.19 3hkc n LEU 72 Cb 0.31 -0.06 0.25 0.00 -0.11 0.00 0.00 43.42 43.81 3hkc n LEU 72 CO 0.28 -0.10 1.24 0.00 -1.51 0.00 0.00 177.39 177.31 3hkc h ALA 73 N 2.13 1.48 -0.27 -1.18 0.00 -1.37 -1.46 119.26 118.59 3hkc h ALA 73 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hkc h ALA 73 Cb 0.94 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hkc h ALA 73 CO 0.00 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.10 3hkc n GLU 74 N -4.43 0.00 0.00 0.00 1.02 -1.24 -3.02 120.64 112.97 3hkc n GLU 74 Ca 0.09 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 3hkc n GLU 74 Cb 0.07 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3hkc n GLU 74 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hkc n LYS 75 N -1.87 0.09 0.00 3.49 4.81 -1.09 -2.27 118.16 121.32 3hkc n LYS 75 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hkc n LYS 75 Cb 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.02 3hkc n LYS 75 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3hkc n ARG 76 N 0.20 0.00 0.00 1.64 3.00 -0.56 -4.64 116.66 116.30 3hkc n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3hkc n ARG 76 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 32.46 32.45 3hkc n ARG 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3hkc n GLU 77 N -1.39 0.00 -0.02 -0.14 0.00 -0.96 0.37 120.64 118.50 3hkc n GLU 77 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 3hkc n GLU 77 Cb 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 31.44 30.12 3hkc n GLU 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3hkc n HIS 78 N 1.75 0.00 0.11 4.31 -0.00 -1.18 -4.29 115.22 115.92 3hkc n HIS 78 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 3hkc n HIS 78 Cb 0.00 -0.17 -0.07 0.00 -0.12 0.00 0.00 29.99 29.63 3hkc n HIS 78 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 3hkc h GLU 79 N 0.00 -0.57 -0.40 1.57 4.81 0.63 0.39 114.58 121.02 3hkc h GLU 79 Ca -0.10 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3hkc h GLU 79 Cb 1.18 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3hkc h GLU 79 CO -0.01 -0.38 -0.23 -2.13 -0.73 0.00 0.00 179.01 175.53 3hkc n ARG 80 N -4.63 -0.17 -0.18 1.92 0.00 -1.22 -0.02 116.66 112.35 3hkc n ARG 80 Ca -0.07 0.70 -0.02 0.00 -0.00 0.00 0.00 57.85 58.46 3hkc n ARG 80 Cb 0.31 -1.04 0.07 0.00 0.00 0.00 0.00 32.46 31.80 3hkc n ARG 80 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3hkc h GLU 81 N 0.00 0.43 0.05 -0.14 5.08 -1.33 -1.88 114.58 116.79 3hkc h GLU 81 Ca 0.06 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 3hkc h GLU 81 Cb 0.16 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3hkc h GLU 81 CO -0.37 0.28 -1.25 -0.39 -1.00 0.00 0.00 179.01 176.29 3hkc h VAL 82 N 0.44 1.45 0.00 3.13 -1.51 0.23 -0.98 116.25 119.01 3hkc h VAL 82 Ca 0.26 -3.13 -0.09 0.00 -1.23 0.00 0.00 66.70 62.51 3hkc h VAL 82 Cb 0.24 2.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.19 3hkc h VAL 82 CO -0.23 0.87 -0.42 0.16 -1.23 0.00 0.00 177.57 176.72 3hkc h ILE 83 N 0.03 1.12 0.00 7.19 3.07 -0.33 -3.21 117.51 125.38 3hkc h ILE 83 Ca -0.12 -1.53 -0.10 0.00 1.55 0.00 0.00 64.86 64.66 3hkc h ILE 83 Cb 1.89 1.87 -0.02 0.00 -0.27 0.00 0.00 36.82 40.30 3hkc h ILE 83 CO 0.15 0.41 -1.45 1.67 -1.05 0.00 0.00 178.15 177.87 3hkc n GLN 84 N -3.77 0.63 -0.09 0.16 -0.06 -0.72 -3.42 117.38 110.10 3hkc n GLN 84 Ca -0.01 0.11 0.10 0.00 -2.00 0.00 0.00 57.00 55.19 3hkc n GLN 84 Cb 0.49 -1.75 0.34 0.00 -4.06 0.00 0.00 30.24 25.26 3hkc n GLN 84 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3hkc n LYS 85 N -2.71 1.72 -0.10 3.69 4.01 -0.38 -0.84 118.16 123.55 3hkc n LYS 85 Ca -0.08 -1.09 -0.23 0.00 -0.51 0.00 0.00 58.31 56.40 3hkc n LYS 85 Cb 0.73 -1.37 -0.12 0.00 -0.51 0.00 0.00 35.03 33.76 3hkc n LYS 85 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hkc n ALA 86 N 0.32 1.12 -0.02 7.82 0.00 -1.21 -3.19 120.51 125.36 3hkc n ALA 86 Ca 0.15 -0.88 -0.18 0.00 0.00 0.00 0.00 53.44 52.54 3hkc n ALA 86 Cb 0.32 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 3hkc n ALA 86 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hkc h ILE 87 N -0.48 1.29 -0.78 0.00 2.04 -1.66 -0.83 117.51 117.08 3hkc h ILE 87 Ca -0.54 -1.98 0.10 0.00 1.00 0.00 0.00 64.86 63.43 3hkc h ILE 87 Cb 1.73 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 39.79 3hkc h ILE 87 CO -0.18 0.62 0.43 -0.33 0.00 0.00 0.00 178.15 178.69 3hkc h GLU 88 N 0.47 0.68 0.00 2.37 5.08 -1.16 -1.69 114.58 120.34 3hkc h GLU 88 Ca -0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3hkc h GLU 88 Cb 1.41 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3hkc h GLU 88 CO 0.16 0.45 -0.44 -0.85 -1.00 0.00 0.00 179.01 177.33 3hkc n GLU 89 N -4.80 0.08 -0.07 2.33 0.28 -1.19 -3.52 120.64 113.75 3hkc n GLU 89 Ca 0.13 0.03 -0.09 0.00 -0.16 0.00 0.00 57.16 57.07 3hkc n GLU 89 Cb 0.29 -1.56 -0.06 0.00 1.43 0.00 0.00 31.44 31.54 3hkc n GLU 89 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 3hkc h ASN 90 N 0.00 0.00 0.10 -1.84 -1.24 -0.23 -3.25 115.58 109.12 3hkc h ASN 90 Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 56.30 56.63 3hkc h ASN 90 Cb 0.57 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.62 3hkc h ASN 90 CO 0.00 0.87 0.00 -0.55 -1.29 0.00 0.00 177.43 176.46 3hkc h ASN 91 N -1.00 0.00 -0.91 1.15 -1.07 -1.63 0.13 115.58 112.25 3hkc h ASN 91 Ca -0.06 0.00 0.05 0.00 0.07 0.00 0.00 56.30 56.36 3hkc h ASN 91 Cb 0.62 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.81 3hkc h ASN 91 CO -0.04 0.00 0.58 -1.13 0.07 0.00 0.00 177.43 176.91 3hkc h ASN 92 N 0.00 0.94 0.10 6.14 -0.73 -1.66 -1.14 115.58 119.22 3hkc h ASN 92 Ca 0.00 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 3hkc h ASN 92 Cb 0.05 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.45 3hkc h ASN 92 CO 0.00 0.61 -0.05 0.15 -0.37 0.00 0.00 177.43 177.77 3hkc h PHE 93 N 1.08 -0.13 0.25 0.67 3.57 -0.78 -3.07 116.94 118.54 3hkc h PHE 93 Ca 0.39 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3hkc h PHE 93 Cb 0.12 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3hkc h PHE 93 CO -0.02 0.38 -0.26 0.82 -2.23 0.00 0.00 178.31 177.01 3hkc h ILE 94 N -0.85 0.45 -0.39 1.41 5.03 -1.42 0.20 117.51 121.94 3hkc h ILE 94 Ca -0.01 0.00 -0.20 0.00 -0.12 0.00 0.00 64.86 64.52 3hkc h ILE 94 Cb 0.57 0.45 -0.12 0.00 -3.03 0.00 0.00 36.82 34.69 3hkc h ILE 94 CO 0.02 0.00 0.26 0.29 -0.68 0.00 0.00 178.15 178.04 3hkc n LYS 95 N -5.38 1.49 -0.01 2.37 5.02 -0.44 -0.13 118.16 121.08 3hkc n LYS 95 Ca -0.08 -1.17 -0.02 0.00 -2.02 0.00 0.00 58.31 55.02 3hkc n LYS 95 Cb 0.29 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 3hkc n LYS 95 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3hkc n MET 96 N -0.10 0.06 0.00 1.97 0.00 -0.95 -4.76 117.12 113.33 3hkc n MET 96 Ca 0.23 0.01 0.14 0.00 -0.00 0.00 0.00 57.70 58.09 3hkc n MET 96 Cb 0.93 -1.01 0.62 0.00 0.00 0.00 0.00 33.22 33.77 3hkc n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hkc n ALA 97 N -2.62 2.66 0.22 -5.12 0.00 0.02 -1.12 120.51 114.54 3hkc n ALA 97 Ca -0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 3hkc n ALA 97 Cb 0.54 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 3hkc n ALA 97 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hkc h LYS 98 N 0.20 -0.57 0.00 0.00 3.64 -0.76 -3.33 116.57 115.76 3hkc h LYS 98 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hkc h LYS 98 Cb 0.38 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3hkc h LYS 98 CO 0.00 -0.38 0.00 -0.85 -2.27 0.00 0.00 179.45 175.95 3hkc n GLU 99 N -4.37 0.15 0.06 1.90 0.00 -1.22 -1.45 120.64 115.71 3hkc n GLU 99 Ca -0.07 0.19 0.05 0.00 0.00 0.00 0.00 57.16 57.32 3hkc n GLU 99 Cb 0.23 -1.70 0.24 0.00 0.00 0.00 0.00 31.44 30.21 3hkc n GLU 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hkc n LYS 100 N -1.97 0.06 0.00 3.44 5.02 -0.28 -3.47 118.16 120.96 3hkc n LYS 100 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3hkc n LYS 100 Cb 0.35 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3hkc n LYS 100 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hkc n LEU 101 N -1.79 0.00 -2.15 -0.35 7.94 -0.53 -4.57 117.00 115.55 3hkc n LEU 101 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hkc n LEU 101 Cb 0.02 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.97 3hkc n LEU 101 CO 0.04 0.00 0.07 0.00 -1.11 0.00 0.00 177.39 176.40 3hkc n ALA 102 N -3.00 1.22 -1.35 1.96 0.00 -1.24 0.21 120.51 118.32 3hkc n ALA 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hkc n ALA 102 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3hkc n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkc n GLN 103 N 2.02 0.00 -2.72 0.00 10.64 -1.23 -4.18 117.38 121.91 3hkc n GLN 103 Ca 0.00 -0.49 -0.03 0.00 -1.83 0.00 0.00 57.00 54.64 3hkc n GLN 103 Cb 0.00 -0.41 0.09 0.00 -0.86 0.00 0.00 30.24 29.06 3hkc n GLN 103 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3hkc n LYS 104 N 0.00 1.41 0.00 2.61 4.81 0.55 -4.49 118.16 123.05 3hkc n LYS 104 Ca 0.00 -2.21 0.00 0.00 -0.87 0.00 0.00 58.31 55.23 3hkc n LYS 104 Cb 0.53 -0.42 0.00 0.00 0.02 0.00 0.00 35.03 35.16 3hkc n LYS 104 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 3hkc n MET 105 N -0.93 0.00 -0.19 1.64 1.56 -1.20 -4.73 117.12 113.26 3hkc n MET 105 Ca -0.05 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.49 3hkc n MET 105 Cb 0.85 0.00 0.21 0.00 2.15 0.00 0.00 33.22 36.42 3hkc n MET 105 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3hkc n GLU 106 N -0.02 2.42 0.00 2.12 0.00 -1.26 -2.51 120.64 121.39 3hkc n GLU 106 Ca 0.00 -2.22 0.09 0.00 0.00 0.00 0.00 57.16 55.03 3hkc n GLU 106 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 31.44 29.90 3hkc n GLU 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3hkc n SER 107 N 1.33 1.23 -0.09 4.31 3.41 -1.26 -4.32 113.62 118.23 3hkc n SER 107 Ca 0.18 -1.11 -0.23 0.00 -0.26 0.00 0.00 58.87 57.45 3hkc n SER 107 Cb 0.56 0.83 -0.12 0.00 -0.26 0.00 0.00 64.21 65.22 3hkc n SER 107 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hkc n ASN 108 N -0.98 1.93 0.10 4.04 2.85 -1.18 -2.67 115.26 119.34 3hkc n ASN 108 Ca 0.05 0.35 0.01 0.00 -0.11 0.00 0.00 54.58 54.89 3hkc n ASN 108 Cb 0.34 -0.91 0.36 0.00 1.24 0.00 0.00 39.78 40.81 3hkc n ASN 108 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3hkc h LYS 109 N -0.77 0.29 -0.19 1.20 3.64 -1.76 -2.14 116.57 116.84 3hkc h LYS 109 Ca -0.43 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 3hkc h LYS 109 Cb 1.51 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 3hkc h LYS 109 CO -0.18 0.43 -0.31 0.93 -2.27 0.00 0.00 179.45 178.04 3hkc h GLU 110 N 0.27 0.38 0.61 1.90 5.08 -1.75 -2.94 114.58 118.12 3hkc h GLU 110 Ca 0.05 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3hkc h GLU 110 Cb 0.41 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.65 3hkc h GLU 110 CO 0.02 0.65 -0.29 -0.91 -1.00 0.00 0.00 179.01 177.48 3hkc h ASN 111 N 0.33 -0.70 0.60 1.42 -0.26 -1.17 -3.16 115.58 112.64 3hkc h ASN 111 Ca 0.04 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 3hkc h ASN 111 Cb 0.72 0.18 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 3hkc h ASN 111 CO 0.05 -0.30 -0.30 0.08 -1.06 0.00 0.00 177.43 175.91 3hkc h ARG 112 N -1.22 -0.79 -0.94 0.81 0.11 -1.62 -2.61 114.38 108.12 3hkc h ARG 112 Ca -0.08 0.05 0.27 0.00 0.10 0.00 0.00 59.98 60.32 3hkc h ARG 112 Cb 0.63 0.18 -0.14 0.00 1.11 0.00 0.00 29.97 31.75 3hkc h ARG 112 CO 0.14 -0.53 0.40 0.93 0.10 0.00 0.00 179.97 181.01 3hkc h GLU 113 N -0.82 0.28 0.00 0.08 5.08 -1.64 1.26 114.58 118.82 3hkc h GLU 113 Ca -0.08 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3hkc h GLU 113 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3hkc h GLU 113 CO 0.13 0.18 -0.42 0.00 -1.00 0.00 0.00 179.01 177.91 3hkc h ALA 114 N 1.80 0.77 0.00 3.43 0.00 -1.57 -1.13 119.26 122.55 3hkc h ALA 114 Ca 0.63 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3hkc h ALA 114 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hkc h ALA 114 CO -0.62 0.52 -0.53 1.25 0.00 0.00 0.00 179.25 179.87 3hkc h HIS 115 N 0.00 0.00 0.31 0.00 -0.00 0.15 -1.35 115.15 114.27 3hkc h HIS 115 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3hkc h HIS 115 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 3hkc h HIS 115 CO 0.00 0.41 -0.15 -0.07 -0.00 0.00 0.00 177.93 178.12 3hkc h LEU 116 N 0.00 -0.36 -1.18 0.26 3.38 0.86 -3.19 115.31 115.08 3hkc h LEU 116 Ca -0.02 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3hkc h LEU 116 Cb 1.33 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 3hkc h LEU 116 CO 0.05 0.03 0.57 0.00 0.09 0.00 0.00 178.44 179.18 3hkc h ALA 117 N -0.31 1.50 0.00 1.53 0.00 -1.25 -0.77 119.26 119.95 3hkc h ALA 117 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hkc h ALA 117 Cb 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hkc h ALA 117 CO 0.07 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3hkc n ALA 118 N -2.41 2.49 -0.08 0.00 0.00 -0.51 -0.32 120.51 119.68 3hkc n ALA 118 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 3hkc n ALA 118 Cb 0.14 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 3hkc n ALA 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3hkc n MET 119 N -0.64 1.26 0.08 0.00 0.00 -0.37 -3.96 117.12 113.48 3hkc n MET 119 Ca 0.06 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.70 57.66 3hkc n MET 119 Cb 0.03 -1.43 -0.07 0.00 0.00 0.00 0.00 33.22 31.75 3hkc n MET 119 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3hkc h LEU 120 N 0.00 0.18 -0.29 -0.89 3.38 -0.42 -2.63 115.31 114.64 3hkc h LEU 120 Ca -0.45 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3hkc h LEU 120 Cb 2.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3hkc h LEU 120 CO 0.02 1.05 0.00 -0.08 0.09 0.00 0.00 178.44 179.53 3hkc h GLU 121 N 0.05 0.00 -0.00 1.13 4.81 -0.91 0.81 114.58 120.47 3hkc h GLU 121 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hkc h GLU 121 Cb 1.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.05 3hkc h GLU 121 CO 0.14 0.00 -0.24 0.54 -0.73 0.00 0.00 179.01 178.72 3hkc n ARG 122 N -2.93 0.27 0.00 1.92 1.74 -1.20 -3.74 116.66 112.72 3hkc n ARG 122 Ca 0.04 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3hkc n ARG 122 Cb 0.46 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3hkc n ARG 122 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hkc n LEU 123 N -1.27 0.00 0.22 0.55 4.32 -0.96 -4.22 117.00 115.64 3hkc n LEU 123 Ca 0.09 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.20 3hkc n LEU 123 Cb 0.32 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.41 3hkc n LEU 123 CO 0.29 0.00 0.81 1.56 -1.22 0.00 0.00 177.39 178.83 3hkc h GLN 124 N 0.00 0.00 0.00 3.23 4.20 0.46 -3.13 115.11 119.86 3hkc h GLN 124 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3hkc h GLN 124 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3hkc h GLN 124 CO 0.00 0.08 -0.89 1.49 -0.67 0.00 0.00 178.83 178.84 3hkc h GLU 125 N 0.00 0.00 -0.60 1.46 4.81 -1.78 0.36 114.58 118.82 3hkc h GLU 125 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hkc h GLU 125 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3hkc h GLU 125 CO 0.01 0.38 0.00 1.63 -0.73 0.00 0.00 179.01 180.30 3hkc n LYS 126 N -3.05 4.25 -0.06 1.92 5.02 -1.25 -3.98 118.16 121.01 3hkc n LYS 126 Ca -0.03 -3.02 -0.08 0.00 -2.02 0.00 0.00 58.31 53.16 3hkc n LYS 126 Cb 0.76 -2.06 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3hkc n LYS 126 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hkc n ASP 127 N 0.84 3.01 0.00 4.39 8.00 -1.03 -4.34 116.55 127.42 3hkc n ASP 127 Ca 0.27 -0.06 0.06 0.00 0.71 0.00 0.00 54.79 55.77 3hkc n ASP 127 Cb 1.03 -0.07 0.36 0.00 -0.02 0.00 0.00 41.12 42.43 3hkc n ASP 127 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hkc n LYS 128 N -2.79 0.47 -0.08 -1.24 4.01 0.12 -3.41 118.16 115.25 3hkc n LYS 128 Ca -0.21 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.44 3hkc n LYS 128 Cb 0.74 -1.41 -0.14 0.00 -0.51 0.00 0.00 35.03 33.71 3hkc n LYS 128 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 3hkc n HIS 129 N -0.91 0.39 0.07 2.13 -0.00 -1.26 -3.73 115.22 111.92 3hkc n HIS 129 Ca 0.09 0.10 -0.03 0.00 -0.00 0.00 0.00 57.72 57.89 3hkc n HIS 129 Cb 0.04 -1.06 0.21 0.00 -0.00 0.00 0.00 29.99 29.18 3hkc n HIS 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hkc h ALA 130 N 0.41 1.08 -0.08 1.57 0.00 -1.75 -3.02 119.26 117.47 3hkc h ALA 130 Ca -0.50 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 53.95 3hkc h ALA 130 Cb 2.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3hkc h ALA 130 CO 0.00 0.59 -0.20 1.05 0.00 0.00 0.00 179.25 180.68 3hkc h GLU 131 N 0.27 0.13 0.00 0.00 9.09 -1.71 -0.22 114.58 122.14 3hkc h GLU 131 Ca 0.03 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hkc h GLU 131 Cb 0.79 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 3hkc h GLU 131 CO 0.06 0.33 -1.07 -0.85 0.05 0.00 0.00 179.01 177.54 3hkc n GLU 132 N -4.24 0.58 0.01 1.06 0.00 -1.20 -3.18 120.64 113.66 3hkc n GLU 132 Ca -0.01 0.09 0.11 0.00 0.00 0.00 0.00 57.16 57.34 3hkc n GLU 132 Cb 0.30 -1.79 -0.12 0.00 0.00 0.00 0.00 31.44 29.83 3hkc n GLU 132 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3hkc n VAL 133 N -2.58 0.10 -0.09 3.84 0.24 -1.15 -3.64 118.33 115.05 3hkc n VAL 133 Ca -0.00 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 3hkc n VAL 133 Cb 0.54 0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 32.95 3hkc n VAL 133 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3hkc h ARG 134 N 0.00 0.63 -0.37 7.34 0.11 -1.14 -1.82 114.38 119.13 3hkc h ARG 134 Ca 0.00 -0.32 0.00 0.00 0.10 0.00 0.00 59.98 59.76 3hkc h ARG 134 Cb 0.92 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.01 3hkc h ARG 134 CO 0.00 0.92 0.00 1.63 0.10 0.00 0.00 179.97 182.62 3hkc n LYS 135 N -4.34 1.84 0.05 0.08 5.02 -1.19 -3.18 118.16 116.44 3hkc n LYS 135 Ca -0.04 -1.22 0.08 0.00 -2.02 0.00 0.00 58.31 55.11 3hkc n LYS 135 Cb 0.44 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 3hkc n LYS 135 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hkc n ASN 136 N 0.47 0.63 -0.36 4.39 5.15 -0.89 -3.68 115.26 120.97 3hkc n ASN 136 Ca 0.11 0.25 -0.00 0.00 -0.60 0.00 0.00 54.58 54.34 3hkc n ASN 136 Cb 0.31 0.75 0.13 0.00 -0.53 0.00 0.00 39.78 40.44 3hkc n ASN 136 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3hkc h LYS 137 N 0.00 1.21 -2.55 1.20 6.56 -1.31 -1.17 116.57 120.52 3hkc h LYS 137 Ca -0.06 -0.07 -0.05 0.00 -1.06 0.00 0.00 60.65 59.41 3hkc h LYS 137 Cb 1.18 -0.27 -0.02 0.00 -0.57 0.00 0.00 32.23 32.55 3hkc h LYS 137 CO 0.01 0.80 0.18 -0.85 -2.06 0.00 0.00 179.45 177.53 3hkc n GLU 138 N -4.45 0.55 -2.75 3.15 -0.00 -1.24 -3.73 120.64 112.17 3hkc n GLU 138 Ca 0.13 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.16 57.03 3hkc n GLU 138 Cb 0.09 -1.59 0.02 0.00 -0.00 0.00 0.00 31.44 29.96 3hkc n GLU 138 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 3hkc s LEU 139 N 0.00 -0.57 -0.30 -1.84 2.34 -0.44 -5.02 118.68 112.85 3hkc s LEU 139 Ca 0.16 -0.54 -0.19 0.00 0.06 0.00 0.00 54.13 53.63 3hkc s LEU 139 Cb 0.08 0.74 0.19 0.00 -0.56 0.00 0.00 46.19 46.63 3hkc s LEU 139 CO 0.00 -0.03 1.25 -0.54 -1.06 0.00 0.00 176.35 175.97 3hkc s LYS 140 N 1.29 0.05 0.00 1.48 -0.14 -1.24 -5.00 119.74 116.18 3hkc s LYS 140 Ca 0.22 0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.95 3hkc s LYS 140 Cb 0.07 0.08 0.00 0.00 -1.68 0.00 0.00 37.83 36.30 3hkc s LYS 140 CO -0.11 -0.03 0.00 0.39 -0.76 0.00 0.00 175.35 174.85