#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hke n ASP 5 N 0.00 0.00 -0.11 0.00 -0.08 -1.26 -5.14 116.55 109.96 3hke n ASP 5 Ca 0.00 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.03 3hke n ASP 5 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 3hke n ASP 5 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3hke n MET 6 N 0.06 0.61 -1.60 -0.67 2.81 -1.26 -5.09 117.12 111.98 3hke n MET 6 Ca 0.00 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 3hke n MET 6 Cb 0.00 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 3hke n MET 6 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3hke n GLU 7 N -4.08 -3.03 -3.83 0.03 0.00 -1.26 -4.45 120.64 104.02 3hke n GLU 7 Ca -0.44 2.39 -0.30 0.00 0.00 0.00 0.00 57.16 58.81 3hke n GLU 7 Cb 0.86 -2.68 -0.14 0.00 0.00 0.00 0.00 31.44 29.47 3hke n GLU 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3hke s VAL 8 N -0.32 1.55 0.06 3.84 -7.23 -1.26 -3.73 120.40 113.31 3hke s VAL 8 Ca 0.00 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 57.74 3hke s VAL 8 Cb 0.00 -2.13 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 3hke s VAL 8 CO 0.00 -0.72 1.27 -0.63 -0.31 0.00 0.00 175.10 174.71 3hke s ILE 9 N 0.93 3.83 -1.12 -0.62 -1.09 -1.22 -4.87 121.20 117.04 3hke s ILE 9 Ca 0.13 1.29 -0.09 0.00 -2.23 0.00 0.00 60.65 59.75 3hke s ILE 9 Cb -0.20 -3.83 0.28 0.00 -1.58 0.00 0.00 42.46 37.12 3hke s ILE 9 CO -0.12 0.08 1.18 1.21 -1.23 0.00 0.00 174.94 176.06 3hke n GLU 10 N 4.24 3.63 -2.27 2.79 2.13 -1.26 -0.40 120.64 129.50 3hke n GLU 10 Ca 0.10 -4.43 -0.34 0.00 0.66 0.00 0.00 57.16 53.14 3hke n GLU 10 Cb 0.45 -2.57 -0.04 0.00 0.27 0.00 0.00 31.44 29.55 3hke n GLU 10 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3hke s LEU 11 N -1.30 3.30 0.08 4.31 0.05 -1.25 -4.74 118.68 119.13 3hke s LEU 11 Ca 0.32 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.67 3hke s LEU 11 Cb -0.08 -2.56 0.00 0.00 -2.05 0.00 0.00 46.19 41.50 3hke s LEU 11 CO -0.06 -2.18 0.00 -3.20 -0.55 0.00 0.00 176.35 170.36 3hke n ASN 12 N 11.62 -4.24 -4.80 1.48 4.05 -1.26 -4.00 115.26 118.10 3hke n ASN 12 Ca 0.32 0.43 -0.29 0.00 0.45 0.00 0.00 54.58 55.49 3hke n ASN 12 Cb 0.49 -1.81 -0.06 0.00 1.23 0.00 0.00 39.78 39.63 3hke n ASN 12 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3hke s LYS 13 N -2.65 2.98 0.00 1.20 2.20 -1.26 -1.43 119.74 120.77 3hke s LYS 13 Ca 0.00 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 3hke s LYS 13 Cb 0.00 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.56 3hke s LYS 13 CO 0.00 0.55 0.00 0.00 -0.36 0.00 0.00 175.35 175.54 3hke h THR 15 N 0.53 0.38 -0.64 0.00 1.03 -2.04 -3.39 112.91 108.79 3hke h THR 15 Ca 0.00 -1.48 -0.22 0.00 -0.01 0.00 0.00 66.41 64.70 3hke h THR 15 Cb 0.00 0.91 -0.13 0.00 -1.07 0.00 0.00 68.15 67.85 3hke h THR 15 CO 0.00 0.13 0.23 -0.24 -0.01 0.00 0.00 175.52 175.63 3hke n SER 16 N -4.55 4.14 0.00 0.00 2.88 -1.26 -5.03 113.62 109.80 3hke n SER 16 Ca -0.17 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.02 3hke n SER 16 Cb 0.42 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 3hke n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hke n GLY 17 N -0.53 -1.00 3.39 0.46 0.00 -1.26 -5.16 105.19 101.09 3hke n GLY 17 Ca 0.40 -0.79 0.03 0.00 0.00 0.00 0.00 46.02 45.65 3hke n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hke s GLN 18 N -0.31 0.05 0.45 1.61 0.74 -1.26 -1.46 119.66 119.48 3hke s GLN 18 Ca 0.00 0.12 0.08 0.00 0.05 0.00 0.00 55.36 55.60 3hke s GLN 18 Cb 0.00 0.05 0.01 0.00 1.10 0.00 0.00 33.01 34.16 3hke s GLN 18 CO 0.00 -0.02 0.49 -1.12 -0.55 0.00 0.00 175.29 174.09 3hke s SER 19 N 1.64 5.22 0.00 6.67 0.01 -0.52 -5.02 113.70 121.70 3hke s SER 19 Ca -0.03 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.53 3hke s SER 19 Cb -0.02 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.80 3hke s SER 19 CO -0.14 -0.81 0.00 2.22 0.41 0.00 0.00 173.24 174.93 3hke n PHE 20 N -1.74 0.00 -1.78 2.43 1.16 -1.26 -3.90 117.46 112.37 3hke n PHE 20 Ca 0.06 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.35 3hke n PHE 20 Cb 0.61 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.57 3hke n PHE 20 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3hke s GLU 21 N -0.42 1.93 -0.35 3.97 2.02 0.46 -4.85 118.70 121.46 3hke s GLU 21 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.25 3hke s GLU 21 Cb 0.00 -1.93 0.14 0.00 0.10 0.00 0.00 34.13 32.44 3hke s GLU 21 CO 0.00 -1.65 0.21 0.54 0.02 0.00 0.00 175.26 174.38 3hke s VAL 22 N -3.43 0.15 0.19 2.63 0.11 -1.26 -3.41 120.40 115.38 3hke s VAL 22 Ca 0.62 -1.71 -0.31 0.00 -2.93 0.00 0.00 61.98 57.65 3hke s VAL 22 Cb -0.12 -1.13 -0.10 0.00 -1.53 0.00 0.00 36.38 33.50 3hke s VAL 22 CO 0.51 -0.99 1.51 -0.63 -3.33 0.00 0.00 175.10 172.18 3hke s ILE 23 N 1.07 2.66 -0.23 7.04 1.01 -1.24 -4.92 121.20 126.59 3hke s ILE 23 Ca 0.18 0.50 -0.14 0.00 0.00 0.00 0.00 60.65 61.19 3hke s ILE 23 Cb -0.23 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 3hke s ILE 23 CO 0.01 0.05 -0.33 -0.11 0.00 0.00 0.00 174.94 174.57 3hke n LEU 24 N 3.35 1.81 -3.69 2.97 7.94 -1.26 -4.53 117.00 123.58 3hke n LEU 24 Ca 0.11 0.31 -0.18 0.00 -1.11 0.00 0.00 56.01 55.14 3hke n LEU 24 Cb 0.39 -0.74 -0.17 0.00 0.53 0.00 0.00 43.42 43.44 3hke n LEU 24 CO 0.61 0.31 -0.31 -0.54 -1.11 0.00 0.00 177.39 176.35 3hke s LYS 25 N -2.56 -0.04 0.00 1.96 -0.14 -1.26 -4.88 119.74 112.82 3hke s LYS 25 Ca -0.33 0.38 -0.02 0.00 -1.36 0.00 0.00 55.97 54.63 3hke s LYS 25 Cb 0.11 -0.39 -0.01 0.00 -1.68 0.00 0.00 37.83 35.85 3hke s LYS 25 CO 0.43 -0.29 0.06 -2.30 -0.76 0.00 0.00 175.35 172.50 3hke n PRO 26 N 5.03 0.00 -0.35 -1.68 -0.02 -1.26 -4.80 135.00 131.91 3hke n PRO 26 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3hke n PRO 26 Cb 0.50 -0.09 0.06 0.00 -0.02 0.00 0.00 33.50 33.95 3hke n PRO 26 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hke h PRO 27 N 0.17 -0.02 -1.14 0.52 0.11 -2.02 -3.47 132.00 126.15 3hke h PRO 27 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hke h PRO 27 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3hke h PRO 27 CO 0.04 -0.01 0.00 0.45 -0.21 0.00 0.00 178.00 178.27 3hke n SER 28 N -5.50 -0.97 0.00 -2.05 2.88 -1.26 -5.10 113.62 101.61 3hke n SER 28 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3hke n SER 28 Cb 0.42 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 3hke n SER 28 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3hke n PHE 29 N -0.57 0.00 -2.59 0.66 3.01 -1.26 -5.32 117.46 111.39 3hke n PHE 29 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.44 3hke n PHE 29 Cb 0.24 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.78 3hke n PHE 29 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hke n ASP 30 N 0.00 -0.41 -3.63 4.37 9.92 -1.26 -5.29 116.55 120.26 3hke n ASP 30 Ca 0.00 -2.11 -0.29 0.00 -0.53 0.00 0.00 54.79 51.85 3hke n ASP 30 Cb 0.00 0.24 -0.14 0.00 -0.64 0.00 0.00 41.12 40.59 3hke n ASP 30 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 3hke s PRO 45 N -0.91 0.79 0.42 -0.24 0.01 -1.26 -5.26 135.00 128.56 3hke s PRO 45 Ca 0.14 -1.38 0.10 0.00 0.01 0.00 0.00 61.00 59.88 3hke s PRO 45 Cb 0.34 -1.81 0.92 0.00 0.01 0.00 0.00 34.50 33.95 3hke s PRO 45 CO -0.09 -1.11 2.01 1.03 0.01 0.00 0.00 177.00 178.85 3hke h SER 46 N 7.40 0.24 -3.76 2.53 0.87 -2.11 -3.48 113.55 115.23 3hke h SER 46 Ca -0.05 -0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.60 3hke h SER 46 Cb 0.97 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 3hke h SER 46 CO 0.41 0.28 -1.10 0.00 -0.53 0.00 0.00 176.83 175.89 3hke n LEU 47 N -4.39 -1.50 0.00 2.23 -0.00 -1.26 -5.03 117.00 107.05 3hke n LEU 47 Ca -0.00 2.78 0.00 0.00 -0.00 0.00 0.00 56.01 58.79 3hke n LEU 47 Cb 0.17 -3.22 0.00 0.00 -0.00 0.00 0.00 43.42 40.37 3hke n LEU 47 CO 0.36 -1.29 0.00 1.21 -0.00 0.00 0.00 177.39 177.67 3hke n GLU 48 N -3.23 0.71 0.00 1.47 4.07 -1.26 -4.65 120.64 117.74 3hke n GLU 48 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 3hke n GLU 48 Cb 0.57 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.95 3hke n GLU 48 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3hke n GLU 49 N 0.00 0.00 -1.27 5.31 4.07 -1.26 -4.74 120.64 122.75 3hke n GLU 49 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3hke n GLU 49 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 3hke n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3hke n ILE 50 N 0.00 2.05 -1.35 6.31 2.08 -1.26 -1.69 119.36 125.50 3hke n ILE 50 Ca 0.00 -1.81 0.07 0.00 0.56 0.00 0.00 62.75 61.57 3hke n ILE 50 Cb 0.00 -2.35 0.10 0.00 -0.75 0.00 0.00 39.64 36.64 3hke n ILE 50 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hke n GLN 51 N 6.95 0.94 0.15 0.38 -0.00 -1.26 -4.62 117.38 119.91 3hke n GLN 51 Ca 0.50 -2.19 -0.00 0.00 -0.00 0.00 0.00 57.00 55.30 3hke n GLN 51 Cb 0.41 -1.23 0.24 0.00 -0.00 0.00 0.00 30.24 29.66 3hke n GLN 51 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 3hke h LYS 52 N 0.05 0.04 -0.28 2.61 3.64 -1.72 -3.13 116.57 117.79 3hke h LYS 52 Ca -0.00 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 3hke h LYS 52 Cb 1.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3hke h LYS 52 CO 0.00 0.53 -0.30 0.87 -2.27 0.00 0.00 179.45 178.28 3hke h LYS 53 N 0.03 0.70 0.00 1.90 1.57 -1.83 -3.09 116.57 115.85 3hke h LYS 53 Ca -0.00 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 3hke h LYS 53 Cb 0.90 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 3hke h LYS 53 CO 0.07 0.99 -0.07 1.25 -0.57 0.00 0.00 179.45 181.12 3hke h LEU 54 N 0.44 0.00 0.00 2.94 5.85 -1.85 -2.63 115.31 120.05 3hke h LEU 54 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3hke h LEU 54 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3hke h LEU 54 CO 0.07 0.07 -0.88 -1.84 -0.34 0.00 0.00 178.44 175.52 3hke n GLU 55 N -3.29 1.57 0.15 1.25 0.28 -1.19 -3.40 120.64 116.02 3hke n GLU 55 Ca -0.01 -0.02 0.13 0.00 -0.16 0.00 0.00 57.16 57.10 3hke n GLU 55 Cb 0.26 -1.27 0.28 0.00 1.43 0.00 0.00 31.44 32.14 3hke n GLU 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hke h ALA 56 N 2.17 0.96 0.08 -1.84 0.00 -1.39 -0.33 119.26 118.91 3hke h ALA 56 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3hke h ALA 56 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hke h ALA 56 CO 0.00 0.00 -1.14 0.00 0.00 0.00 0.00 179.25 178.11 3hke h ALA 57 N 2.29 0.15 0.00 0.00 0.00 -1.63 -1.70 119.26 118.36 3hke h ALA 57 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 3hke h ALA 57 Cb 0.86 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hke h ALA 57 CO 0.00 0.80 -0.08 1.49 0.00 0.00 0.00 179.25 181.46 3hke h GLU 58 N 0.22 0.00 0.13 0.00 4.81 -1.53 -1.38 114.58 116.82 3hke h GLU 58 Ca -0.14 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.74 3hke h GLU 58 Cb 1.81 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 3hke h GLU 58 CO 0.20 0.08 -1.87 1.49 -0.73 0.00 0.00 179.01 178.19 3hke h GLU 59 N 0.00 0.27 0.00 1.92 4.57 -1.02 -2.78 114.58 117.54 3hke h GLU 59 Ca -0.00 -0.46 -0.08 0.00 -1.18 0.00 0.00 59.36 57.64 3hke h GLU 59 Cb 0.51 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3hke h GLU 59 CO 0.01 1.16 -0.39 0.00 -1.18 0.00 0.00 179.01 178.61 3hke h ARG 60 N 0.07 0.00 0.01 1.92 3.08 -1.22 -2.62 114.38 115.62 3hke h ARG 60 Ca -0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3hke h ARG 60 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.10 3hke h ARG 60 CO 0.12 0.39 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.31 3hke h ARG 61 N 0.00 -0.01 0.00 0.04 2.43 -1.37 -2.88 114.38 112.59 3hke h ARG 61 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hke h ARG 61 Cb 1.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3hke h ARG 61 CO 0.05 0.50 0.00 1.17 -1.51 0.00 0.00 179.97 180.18 3hke n LYS 62 N -4.85 0.02 -0.00 0.20 3.00 -1.05 -1.61 118.16 113.88 3hke n LYS 62 Ca -0.09 0.34 -0.00 0.00 -0.00 0.00 0.00 58.31 58.56 3hke n LYS 62 Cb 0.26 -1.55 -0.00 0.00 0.00 0.00 0.00 35.03 33.74 3hke n LYS 62 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3hke n TYR 63 N -1.60 0.01 0.06 5.64 9.36 -1.00 -3.18 117.16 126.45 3hke n TYR 63 Ca 0.02 0.01 0.16 0.00 3.32 0.00 0.00 57.90 61.41 3hke n TYR 63 Cb 0.13 -0.23 0.35 0.00 -0.63 0.00 0.00 39.34 38.96 3hke n TYR 63 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 3hke h GLN 64 N -0.02 0.00 0.00 2.98 4.15 -1.39 0.86 115.11 121.69 3hke h GLN 64 Ca 0.00 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.16 3hke h GLN 64 Cb 0.01 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 3hke h GLN 64 CO 0.00 0.00 -2.05 -1.91 -1.93 0.00 0.00 178.83 172.94 3hke n GLU 65 N -3.00 1.30 0.00 1.69 0.00 -0.63 -3.47 120.64 116.53 3hke n GLU 65 Ca 0.11 -0.03 0.08 0.00 0.00 0.00 0.00 57.16 57.33 3hke n GLU 65 Cb 1.15 -1.41 0.47 0.00 0.00 0.00 0.00 31.44 31.65 3hke n GLU 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hke n ALA 66 N -2.53 2.47 -0.08 4.31 0.00 0.21 -3.61 120.51 121.27 3hke n ALA 66 Ca -0.23 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 3hke n ALA 66 Cb 0.95 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 3hke n ALA 66 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hke n GLU 67 N -0.78 0.49 -0.12 0.00 4.07 -0.67 -2.85 120.64 120.78 3hke n GLU 67 Ca 0.12 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 3hke n GLU 67 Cb 0.05 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 3hke n GLU 67 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3hke n LEU 68 N -4.43 1.66 0.04 4.31 4.77 -1.23 -0.43 117.00 121.68 3hke n LEU 68 Ca -0.12 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 3hke n LEU 68 Cb 0.44 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3hke n LEU 68 CO 0.18 0.30 0.00 -0.11 -1.33 0.00 0.00 177.39 176.43 3hke n LEU 69 N 1.49 -0.11 0.00 2.23 7.94 -1.24 -4.65 117.00 122.66 3hke n LEU 69 Ca 0.00 0.12 0.08 0.00 -1.11 0.00 0.00 56.01 55.10 3hke n LEU 69 Cb 0.18 0.18 0.42 0.00 0.53 0.00 0.00 43.42 44.72 3hke n LEU 69 CO 0.00 -0.55 0.71 1.17 -1.11 0.00 0.00 177.39 177.61 3hke n LYS 70 N -2.73 0.29 0.06 1.96 4.81 -0.92 -1.11 118.16 120.53 3hke n LYS 70 Ca 0.00 0.10 0.12 0.00 -0.87 0.00 0.00 58.31 57.66 3hke n LYS 70 Cb 0.00 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 33.73 3hke n LYS 70 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 3hke n HIS 71 N -1.21 0.59 0.36 5.64 -0.00 0.43 -3.30 115.22 117.73 3hke n HIS 71 Ca 0.09 0.17 0.05 0.00 0.46 0.00 0.00 57.72 58.49 3hke n HIS 71 Cb 0.11 -0.68 -0.07 0.00 -0.12 0.00 0.00 29.99 29.22 3hke n HIS 71 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3hke n LEU 72 N -2.13 0.37 0.10 0.27 4.32 -0.26 -2.67 117.00 116.99 3hke n LEU 72 Ca 0.03 -0.35 -0.01 0.00 -0.02 0.00 0.00 56.01 55.66 3hke n LEU 72 Cb 0.44 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.20 3hke n LEU 72 CO 0.36 0.09 0.28 0.00 -1.22 0.00 0.00 177.39 176.90 3hke h ALA 73 N 1.41 0.56 0.79 -1.18 0.00 -1.46 -2.08 119.26 117.30 3hke h ALA 73 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 3hke h ALA 73 Cb 0.34 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hke h ALA 73 CO 0.00 0.90 -0.38 1.49 0.00 0.00 0.00 179.25 181.26 3hke h GLU 74 N 0.00 -1.02 -0.96 0.00 4.81 -1.63 -1.23 114.58 114.55 3hke h GLU 74 Ca -0.02 0.07 0.26 0.00 -0.13 0.00 0.00 59.36 59.53 3hke h GLU 74 Cb 1.55 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 31.11 3hke h GLU 74 CO 0.09 -0.68 0.66 0.87 -0.73 0.00 0.00 179.01 179.22 3hke h LYS 75 N -1.16 0.17 0.01 1.92 1.57 -1.59 -2.99 116.57 114.51 3hke h LYS 75 Ca -0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3hke h LYS 75 Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3hke h LYS 75 CO 0.18 0.11 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.07 3hke h ARG 76 N 0.17 -0.02 -1.13 3.15 9.65 -1.10 -3.16 114.38 121.95 3hke h ARG 76 Ca 0.48 0.00 0.42 0.00 -1.10 0.00 0.00 59.98 59.78 3hke h ARG 76 Cb 1.60 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 30.03 3hke h ARG 76 CO -0.10 -0.01 0.67 0.93 2.80 0.00 0.00 179.97 184.26 3hke h GLU 77 N -0.03 0.06 -0.33 0.20 4.39 -1.08 2.12 114.58 119.92 3hke h GLU 77 Ca -0.00 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 3hke h GLU 77 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3hke h GLU 77 CO 0.00 0.04 -0.28 1.25 -1.16 0.00 0.00 179.01 178.87 3hke h HIS 78 N 0.06 0.77 -0.52 4.33 2.76 -1.67 -2.49 115.15 118.39 3hke h HIS 78 Ca 0.83 -0.19 0.08 0.00 -2.20 0.00 0.00 60.37 58.89 3hke h HIS 78 Cb 2.34 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 31.02 3hke h HIS 78 CO -0.01 0.88 -0.46 1.49 -1.30 0.00 0.00 177.93 178.54 3hke h GLU 79 N 0.58 -0.26 -0.58 5.26 4.81 0.35 0.48 114.58 125.23 3hke h GLU 79 Ca 0.07 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.44 3hke h GLU 79 Cb 0.77 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.10 3hke h GLU 79 CO 0.06 -0.17 -0.19 -0.09 -0.73 0.00 0.00 179.01 177.89 3hke h ARG 80 N -0.27 -0.05 0.00 1.92 1.12 -1.39 -2.06 114.38 113.65 3hke h ARG 80 Ca 0.15 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.97 3hke h ARG 80 Cb 0.57 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.53 3hke h ARG 80 CO -0.65 -0.03 -0.27 1.49 -3.11 0.00 0.00 179.97 177.39 3hke h GLU 81 N -0.05 0.00 0.16 0.20 4.81 0.20 0.54 114.58 120.45 3hke h GLU 81 Ca 0.27 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3hke h GLU 81 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3hke h GLU 81 CO -0.62 0.27 -0.08 -0.39 -0.73 0.00 0.00 179.01 177.47 3hke h VAL 82 N 0.00 0.00 -1.02 0.32 -1.51 0.01 0.20 116.25 114.26 3hke h VAL 82 Ca -0.00 -0.19 0.41 0.00 -1.23 0.00 0.00 66.70 65.69 3hke h VAL 82 Cb 0.56 0.00 -0.17 0.00 -2.13 0.00 0.00 31.29 29.55 3hke h VAL 82 CO 0.04 0.00 0.56 2.30 -1.23 0.00 0.00 177.57 179.24 3hke n ILE 83 N -3.11 -0.39 0.04 7.19 -0.00 -0.82 -1.41 119.36 120.86 3hke n ILE 83 Ca -0.03 1.95 -0.11 0.00 -0.00 0.00 0.00 62.75 64.56 3hke n ILE 83 Cb 0.08 -3.17 -0.13 0.00 -0.00 0.00 0.00 39.64 36.42 3hke n ILE 83 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3hke h GLN 84 N 0.00 0.11 -0.07 6.28 1.08 0.07 -3.07 115.11 119.50 3hke h GLN 84 Ca 0.83 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.85 3hke h GLN 84 Cb 2.25 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 29.75 3hke h GLN 84 CO -0.71 0.93 0.00 1.63 -0.95 0.00 0.00 178.83 179.73 3hke n LYS 85 N -3.32 1.58 0.00 1.46 4.76 0.72 -1.70 118.16 121.65 3hke n LYS 85 Ca -0.11 -0.86 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 3hke n LYS 85 Cb 1.01 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 3hke n LYS 85 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hke n ALA 86 N 0.06 0.00 -0.31 7.82 0.00 -0.54 -3.28 120.51 124.26 3hke n ALA 86 Ca 0.18 -0.06 0.27 0.00 0.00 0.00 0.00 53.44 53.83 3hke n ALA 86 Cb 0.30 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.36 3hke n ALA 86 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hke h ILE 87 N 0.00 0.48 -0.67 0.00 2.10 -1.70 -0.72 117.51 117.01 3hke h ILE 87 Ca 0.00 -0.08 -0.06 0.00 1.08 0.00 0.00 64.86 65.80 3hke h ILE 87 Cb 0.00 0.23 -0.03 0.00 -1.09 0.00 0.00 36.82 35.93 3hke h ILE 87 CO 0.00 0.04 0.18 -0.33 -1.08 0.00 0.00 178.15 176.96 3hke h GLU 88 N 0.23 1.05 -0.34 2.19 5.08 -1.50 -1.63 114.58 119.66 3hke h GLU 88 Ca 0.57 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3hke h GLU 88 Cb 1.77 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3hke h GLU 88 CO -0.18 0.91 0.00 -0.85 -1.00 0.00 0.00 179.01 177.89 3hke n GLU 89 N -4.25 1.96 -0.08 2.33 0.28 -0.38 -3.92 120.64 116.57 3hke n GLU 89 Ca 0.05 -1.47 -0.22 0.00 -0.16 0.00 0.00 57.16 55.36 3hke n GLU 89 Cb 0.24 -1.37 -0.12 0.00 1.43 0.00 0.00 31.44 31.62 3hke n GLU 89 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3hke n ASN 90 N 0.68 1.93 0.00 -1.84 5.15 -0.57 -3.91 115.26 116.70 3hke n ASN 90 Ca 0.15 0.36 0.01 0.00 -0.60 0.00 0.00 54.58 54.50 3hke n ASN 90 Cb 0.37 -0.93 0.03 0.00 -0.53 0.00 0.00 39.78 38.73 3hke n ASN 90 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3hke n ASN 91 N -4.19 0.00 0.02 1.20 3.02 -1.03 0.20 115.26 114.49 3hke n ASN 91 Ca -0.34 0.11 -0.11 0.00 -0.03 0.00 0.00 54.58 54.21 3hke n ASN 91 Cb 0.78 -0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.74 3hke n ASN 91 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3hke h ASN 92 N 0.00 -0.13 0.50 6.41 2.35 -1.68 -3.17 115.58 119.86 3hke h ASN 92 Ca 0.00 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 3hke h ASN 92 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3hke h ASN 92 CO 0.00 0.48 -0.24 0.15 -1.65 0.00 0.00 177.43 176.17 3hke h PHE 93 N -0.87 -0.62 0.12 1.19 3.57 -0.37 -2.93 116.94 117.05 3hke h PHE 93 Ca -0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3hke h PHE 93 Cb 0.55 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.50 3hke h PHE 93 CO 0.11 -0.29 -0.06 0.82 -2.23 0.00 0.00 178.31 176.65 3hke h ILE 94 N -0.95 0.97 -0.03 1.41 2.04 -1.59 -0.19 117.51 119.17 3hke h ILE 94 Ca -0.07 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3hke h ILE 94 Cb 0.60 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3hke h ILE 94 CO 0.11 0.09 0.03 0.29 0.00 0.00 0.00 178.15 178.67 3hke n LYS 95 N -5.08 1.05 0.00 2.37 5.02 -1.20 -1.24 118.16 119.09 3hke n LYS 95 Ca -0.08 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 3hke n LYS 95 Cb 0.16 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3hke n LYS 95 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3hke n MET 96 N 1.22 0.00 0.09 1.97 0.00 -1.07 -4.83 117.12 114.50 3hke n MET 96 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.70 57.85 3hke n MET 96 Cb 0.51 -0.39 0.45 0.00 0.00 0.00 0.00 33.22 33.79 3hke n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hke n ALA 97 N -0.96 2.18 -0.03 -5.12 0.00 -0.11 -1.16 120.51 115.31 3hke n ALA 97 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 3hke n ALA 97 Cb 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.90 3hke n ALA 97 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hke h LYS 98 N 0.00 0.09 -0.66 0.00 3.11 -1.40 -3.32 116.57 114.39 3hke h LYS 98 Ca 0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 3hke h LYS 98 Cb 0.63 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 3hke h LYS 98 CO 0.00 0.62 0.00 -0.85 -2.81 0.00 0.00 179.45 176.41 3hke n GLU 99 N -4.74 3.82 -0.00 1.90 0.00 -1.17 -2.67 120.64 117.77 3hke n GLU 99 Ca -0.08 -2.91 0.13 0.00 0.00 0.00 0.00 57.16 54.30 3hke n GLU 99 Cb 0.31 -1.93 0.36 0.00 0.00 0.00 0.00 31.44 30.19 3hke n GLU 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hke n LYS 100 N 1.14 1.93 -0.01 3.44 5.02 -0.31 -3.93 118.16 125.43 3hke n LYS 100 Ca 0.26 -1.34 -0.02 0.00 -2.02 0.00 0.00 58.31 55.19 3hke n LYS 100 Cb 0.92 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.45 3hke n LYS 100 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hke n LEU 101 N 0.64 0.62 0.06 -0.35 0.00 -1.19 -4.44 117.00 112.34 3hke n LEU 101 Ca 0.17 0.10 0.21 0.00 0.00 0.00 0.00 56.01 56.49 3hke n LEU 101 Cb 0.45 -0.38 0.72 0.00 0.00 0.00 0.00 43.42 44.21 3hke n LEU 101 CO 0.16 -0.50 1.19 0.00 0.00 0.00 0.00 177.39 178.24 3hke h ALA 102 N -0.84 2.21 -0.67 1.96 0.00 -1.74 0.45 119.26 120.62 3hke h ALA 102 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.46 3hke h ALA 102 Cb 0.21 0.04 -0.26 0.00 0.00 0.00 0.00 17.79 17.78 3hke h ALA 102 CO 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 179.25 178.47 3hke n GLN 103 N -3.68 2.58 0.00 0.00 10.64 -1.25 -2.49 117.38 123.18 3hke n GLN 103 Ca 0.09 -3.49 0.00 0.00 -1.83 0.00 0.00 57.00 51.77 3hke n GLN 103 Cb 0.71 -2.09 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 3hke n GLN 103 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3hke n LYS 104 N -0.96 0.00 0.00 2.61 0.00 0.58 -4.60 118.16 115.79 3hke n LYS 104 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.70 3hke n LYS 104 Cb 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.93 3hke n LYS 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3hke n MET 105 N 0.00 0.00 -0.01 1.64 2.81 0.13 -4.08 117.12 117.60 3hke n MET 105 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 3hke n MET 105 Cb 0.45 -0.11 0.01 0.00 -0.71 0.00 0.00 33.22 32.87 3hke n MET 105 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3hke n GLU 106 N 0.00 2.78 0.01 0.03 2.13 -1.04 -3.18 120.64 121.37 3hke n GLU 106 Ca 0.00 -1.59 -0.21 0.00 0.66 0.00 0.00 57.16 56.02 3hke n GLU 106 Cb 0.06 -1.04 -0.14 0.00 0.27 0.00 0.00 31.44 30.58 3hke n GLU 106 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3hke h SER 107 N 0.00 0.41 -0.02 4.31 0.87 -1.80 -3.33 113.55 113.99 3hke h SER 107 Ca 0.00 -0.89 -0.02 0.00 -1.23 0.00 0.00 61.79 59.65 3hke h SER 107 Cb 0.56 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3hke h SER 107 CO 0.00 1.79 -0.08 -1.13 -0.53 0.00 0.00 176.83 176.88 3hke h ASN 108 N 0.07 0.11 -0.95 6.23 -0.73 -1.74 -2.50 115.58 116.06 3hke h ASN 108 Ca -0.41 -0.64 0.04 0.00 1.87 0.00 0.00 56.30 57.17 3hke h ASN 108 Cb 2.04 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 40.54 3hke h ASN 108 CO 0.10 0.72 0.62 0.50 -0.37 0.00 0.00 177.43 179.00 3hke h LYS 109 N -0.50 1.16 0.00 6.67 3.64 -1.78 -0.12 116.57 125.64 3hke h LYS 109 Ca -0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hke h LYS 109 Cb 0.72 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3hke h LYS 109 CO 0.02 0.77 -0.02 0.93 -2.27 0.00 0.00 179.45 178.87 3hke h GLU 110 N 1.19 0.00 0.34 1.90 5.08 -1.67 -2.32 114.58 119.10 3hke h GLU 110 Ca 0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 3hke h GLU 110 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hke h GLU 110 CO -0.13 0.02 -0.16 -0.91 -1.00 0.00 0.00 179.01 176.83 3hke h ASN 111 N 0.00 -0.38 -0.07 1.42 2.35 -0.55 -3.05 115.58 115.31 3hke h ASN 111 Ca -0.00 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 3hke h ASN 111 Cb 0.37 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3hke h ASN 111 CO 0.00 -0.05 -0.51 -0.09 -1.65 0.00 0.00 177.43 175.13 3hke h ARG 112 N -0.90 0.64 -1.00 0.81 2.43 -1.56 -1.51 114.38 113.29 3hke h ARG 112 Ca -0.05 -0.38 0.13 0.00 -0.81 0.00 0.00 59.98 58.87 3hke h ARG 112 Cb 0.35 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.85 3hke h ARG 112 CO 0.08 0.99 0.63 0.93 -1.51 0.00 0.00 179.97 181.09 3hke h GLU 113 N 0.50 0.94 0.00 0.20 5.08 -1.58 0.31 114.58 120.03 3hke h GLU 113 Ca 0.02 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 3hke h GLU 113 Cb 1.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3hke h GLU 113 CO 0.10 0.62 -0.77 0.00 -1.00 0.00 0.00 179.01 177.96 3hke h ALA 114 N 1.55 0.58 0.00 3.43 0.00 -1.39 -3.24 119.26 120.19 3hke h ALA 114 Ca 0.51 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3hke h ALA 114 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hke h ALA 114 CO -0.28 0.96 -0.62 0.45 0.00 0.00 0.00 179.25 179.76 3hke h HIS 115 N 0.00 0.00 -0.45 0.00 3.86 -0.23 -2.25 115.15 116.08 3hke h HIS 115 Ca -0.01 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 3hke h HIS 115 Cb 1.50 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.96 3hke h HIS 115 CO 0.00 0.62 -0.07 -0.07 0.86 0.00 0.00 177.93 179.27 3hke h LEU 116 N 0.00 0.84 -0.34 2.43 3.38 -0.45 -2.38 115.31 118.79 3hke h LEU 116 Ca -0.01 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 3hke h LEU 116 Cb 1.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hke h LEU 116 CO 0.08 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.60 3hke h ALA 117 N 0.88 0.46 -1.16 1.53 0.00 -1.59 -0.34 119.26 119.04 3hke h ALA 117 Ca 0.12 -0.24 0.33 0.00 0.00 0.00 0.00 54.91 55.12 3hke h ALA 117 Cb 0.60 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3hke h ALA 117 CO 0.04 0.22 0.81 0.00 0.00 0.00 0.00 179.25 180.31 3hke h ALA 118 N 0.86 2.87 0.00 0.00 0.00 -1.15 0.44 119.26 122.28 3hke h ALA 118 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hke h ALA 118 Cb 0.44 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hke h ALA 118 CO 0.02 -1.24 -0.13 1.98 0.00 0.00 0.00 179.25 179.88 3hke h MET 119 N 0.11 0.00 0.00 0.00 -1.53 -1.12 -3.31 114.93 109.08 3hke h MET 119 Ca 0.59 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.85 3hke h MET 119 Cb 2.08 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.13 3hke h MET 119 CO -0.11 0.27 0.04 -0.11 0.14 0.00 0.00 176.91 177.15 3hke n LEU 120 N -4.70 0.00 -0.09 3.39 0.00 -0.16 -2.79 117.00 112.64 3hke n LEU 120 Ca -0.05 0.05 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 3hke n LEU 120 Cb 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 43.42 43.50 3hke n LEU 120 CO 0.10 -0.05 -0.53 1.21 0.00 0.00 0.00 177.39 178.12 3hke n GLU 121 N -0.86 0.50 -0.00 1.96 4.07 0.05 -2.10 120.64 124.26 3hke n GLU 121 Ca 0.00 0.46 0.23 0.00 -0.06 0.00 0.00 57.16 57.80 3hke n GLU 121 Cb 0.04 -1.65 0.70 0.00 -0.06 0.00 0.00 31.44 30.47 3hke n GLU 121 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hke h ARG 122 N -1.00 0.00 0.00 5.31 -0.00 -1.65 -1.87 114.38 115.17 3hke h ARG 122 Ca -0.14 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.26 3hke h ARG 122 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.82 3hke h ARG 122 CO -0.08 0.00 -1.51 1.28 0.00 0.00 0.00 179.97 179.66 3hke n LEU 123 N -3.71 0.56 0.23 3.04 4.32 -1.20 -0.93 117.00 119.30 3hke n LEU 123 Ca 0.12 0.23 0.12 0.00 -0.02 0.00 0.00 56.01 56.46 3hke n LEU 123 Cb 0.83 0.05 0.30 0.00 -1.62 0.00 0.00 43.42 42.97 3hke n LEU 123 CO 0.28 0.02 0.82 1.56 -1.22 0.00 0.00 177.39 178.86 3hke h GLN 124 N 0.00 0.00 0.00 3.23 4.20 -0.80 -3.27 115.11 118.46 3hke h GLN 124 Ca -0.10 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.30 3hke h GLN 124 Cb 1.29 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 3hke h GLN 124 CO 0.02 0.06 -1.73 -1.91 -0.67 0.00 0.00 178.83 174.59 3hke n GLU 125 N -3.13 0.57 0.00 1.46 2.13 -0.84 -1.86 120.64 118.98 3hke n GLU 125 Ca 0.03 0.45 0.05 0.00 0.66 0.00 0.00 57.16 58.35 3hke n GLU 125 Cb 0.49 -1.64 0.32 0.00 0.27 0.00 0.00 31.44 30.87 3hke n GLU 125 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3hke n LYS 126 N -4.37 0.40 -0.09 5.31 4.81 -0.11 -2.51 118.16 121.61 3hke n LYS 126 Ca -0.40 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 56.92 3hke n LYS 126 Cb 0.75 -1.41 -0.05 0.00 0.02 0.00 0.00 35.03 34.34 3hke n LYS 126 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3hke n ASP 127 N -0.91 1.89 -0.46 3.14 -0.08 -1.23 -4.14 116.55 114.75 3hke n ASP 127 Ca 0.08 0.44 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 3hke n ASP 127 Cb 0.04 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 42.67 3hke n ASP 127 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3hke n LYS 128 N -4.47 0.31 -0.06 -0.67 4.76 -0.78 -2.11 118.16 115.13 3hke n LYS 128 Ca -0.20 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.16 3hke n LYS 128 Cb 0.52 -1.14 -0.08 0.00 -1.84 0.00 0.00 35.03 32.48 3hke n LYS 128 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 3hke n HIS 129 N 0.28 0.00 0.01 2.13 -0.00 -1.04 -3.43 115.22 113.17 3hke n HIS 129 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 3hke n HIS 129 Cb 0.07 -0.56 0.10 0.00 -0.00 0.00 0.00 29.99 29.61 3hke n HIS 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hke h ALA 130 N 0.28 0.83 -0.44 1.57 0.00 -1.58 -1.71 119.26 118.21 3hke h ALA 130 Ca -0.31 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.19 3hke h ALA 130 Cb 1.60 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 3hke h ALA 130 CO -0.02 0.66 0.13 1.05 0.00 0.00 0.00 179.25 181.07 3hke h GLU 131 N 0.41 0.28 -0.03 0.00 9.09 -1.74 -2.40 114.58 120.19 3hke h GLU 131 Ca 0.03 -0.02 -0.14 0.00 0.05 0.00 0.00 59.36 59.28 3hke h GLU 131 Cb 0.96 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.99 3hke h GLU 131 CO 0.09 0.18 -0.64 1.05 0.05 0.00 0.00 179.01 179.74 3hke h GLU 132 N 0.28 0.11 -1.55 1.06 9.09 -1.54 -2.98 114.58 119.05 3hke h GLU 132 Ca 0.21 -0.08 -0.63 0.00 0.05 0.00 0.00 59.36 58.91 3hke h GLU 132 Cb 0.23 0.01 -0.38 0.00 -1.65 0.00 0.00 28.75 26.96 3hke h GLU 132 CO -0.24 0.71 -0.26 1.33 0.05 0.00 0.00 179.01 180.60 3hke n VAL 133 N -3.81 2.71 0.00 -1.06 0.24 -0.66 -3.83 118.33 111.93 3hke n VAL 133 Ca -0.02 -4.66 0.00 0.00 -2.04 0.00 0.00 64.34 57.62 3hke n VAL 133 Cb 0.63 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 3hke n VAL 133 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3hke n ARG 134 N -0.53 0.67 0.00 7.34 0.63 -0.91 -4.42 116.66 119.45 3hke n ARG 134 Ca 0.44 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.38 3hke n ARG 134 Cb 0.59 -0.60 0.05 0.00 0.45 0.00 0.00 32.46 32.94 3hke n ARG 134 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3hke n LYS 135 N -0.95 0.63 -0.05 -0.14 5.02 -1.13 -1.56 118.16 119.98 3hke n LYS 135 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hke n LYS 135 Cb 0.10 -1.04 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 3hke n LYS 135 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hke n ASN 136 N -0.54 0.75 0.00 4.39 5.15 -1.25 -4.27 115.26 119.49 3hke n ASN 136 Ca 0.01 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.08 3hke n ASN 136 Cb 0.01 1.36 0.40 0.00 -0.53 0.00 0.00 39.78 41.02 3hke n ASN 136 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hke n LYS 137 N -2.41 0.09 -1.07 1.20 4.76 -0.60 -3.70 118.16 116.43 3hke n LYS 137 Ca -0.16 0.17 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 3hke n LYS 137 Cb 0.79 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.37 3hke n LYS 137 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3hke n GLU 138 N -1.42 2.56 0.00 1.97 -0.00 -1.23 -4.51 120.64 117.99 3hke n GLU 138 Ca 0.06 -1.42 0.00 0.00 -0.00 0.00 0.00 57.16 55.80 3hke n GLU 138 Cb 0.18 -2.29 0.00 0.00 -0.00 0.00 0.00 31.44 29.34 3hke n GLU 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3hke n LEU 139 N 2.96 0.00 -0.20 -1.84 -0.00 -1.24 -5.10 117.00 111.59 3hke n LEU 139 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.56 3hke n LEU 139 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 3hke n LEU 139 CO 0.41 0.00 0.20 0.29 -0.00 0.00 0.00 177.39 178.29 3hke n LYS 140 N 0.00 0.00 0.00 1.47 4.01 -1.26 -5.09 118.16 117.29 3hke n LYS 140 Ca 0.00 -0.47 0.02 0.00 -0.51 0.00 0.00 58.31 57.35 3hke n LYS 140 Cb 0.00 -0.34 0.02 0.00 -0.51 0.00 0.00 35.03 34.20 3hke n LYS 140 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44