#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ink n THR 7 N 0.00 -0.38 0.10 0.44 -1.04 -1.26 -1.34 114.28 110.80 3ink n THR 7 Ca 0.00 1.98 -0.23 0.00 -2.04 0.00 0.00 64.05 63.76 3ink n THR 7 Cb 0.00 -2.96 -0.15 0.00 -1.82 0.00 0.00 70.33 65.40 3ink n THR 7 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3ink h LYS 8 N 0.00 0.44 -0.22 -2.82 1.57 -1.98 -1.10 116.57 112.45 3ink h LYS 8 Ca 0.61 -0.74 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3ink h LYS 8 Cb 1.35 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 3ink h LYS 8 CO -0.83 1.35 0.03 -0.22 -0.57 0.00 0.00 179.45 179.21 3ink h LYS 9 N 0.12 0.38 -0.22 3.15 3.11 -1.64 -1.84 116.57 119.62 3ink h LYS 9 Ca -0.29 -0.10 -0.04 0.00 -2.81 0.00 0.00 60.65 57.41 3ink h LYS 9 Cb 2.12 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 33.30 3ink h LYS 9 CO 0.22 0.52 -0.01 1.15 -2.81 0.00 0.00 179.45 178.52 3ink h THR 10 N 0.17 1.26 -0.08 1.00 2.02 -1.45 -1.51 112.91 114.33 3ink h THR 10 Ca 0.07 -0.92 -0.13 0.00 0.77 0.00 0.00 66.41 66.20 3ink h THR 10 Cb 0.33 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3ink h THR 10 CO 0.01 0.28 -0.52 -0.61 0.37 0.00 0.00 175.52 175.05 3ink h GLN 11 N 0.14 0.22 -0.60 6.66 4.15 -1.25 -0.01 115.11 124.43 3ink h GLN 11 Ca 0.06 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3ink h GLN 11 Cb 0.43 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3ink h GLN 11 CO 0.01 0.69 0.20 -0.07 -1.93 0.00 0.00 178.83 177.73 3ink h LEU 12 N 0.17 0.83 0.05 -2.39 4.07 -1.23 -0.19 115.31 116.63 3ink h LEU 12 Ca 0.00 -0.13 -0.25 0.00 0.08 0.00 0.00 57.88 57.58 3ink h LEU 12 Cb 0.98 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 3ink h LEU 12 CO 0.08 0.78 -1.14 1.56 -1.08 0.00 0.00 178.44 178.64 3ink h GLN 13 N 0.88 0.19 -0.24 1.13 4.20 -0.57 -2.77 115.11 117.92 3ink h GLN 13 Ca 0.20 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 3ink h GLN 13 Cb 0.24 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3ink h GLN 13 CO -0.01 1.13 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.99 3ink h LEU 14 N 0.06 0.62 -1.42 1.46 4.07 -0.70 0.45 115.31 119.85 3ink h LEU 14 Ca -0.09 -0.47 -0.05 0.00 0.08 0.00 0.00 57.88 57.35 3ink h LEU 14 Cb 1.87 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 3ink h LEU 14 CO 0.18 0.96 -0.23 -0.33 -1.08 0.00 0.00 178.44 177.93 3ink h GLU 15 N 0.29 0.00 0.21 1.13 5.08 -1.11 -0.53 114.58 119.65 3ink h GLU 15 Ca 0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.12 3ink h GLU 15 Cb 0.78 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.06 3ink h GLU 15 CO 0.06 0.23 -1.27 1.25 -1.00 0.00 0.00 179.01 178.28 3ink h HIS 16 N 0.00 0.80 -0.16 4.33 2.76 -1.13 -3.11 115.15 118.65 3ink h HIS 16 Ca -0.00 -0.59 0.05 0.00 -2.20 0.00 0.00 60.37 57.63 3ink h HIS 16 Cb 0.60 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.47 3ink h HIS 16 CO 0.00 1.49 -0.22 1.25 -1.30 0.00 0.00 177.93 179.15 3ink h LEU 17 N -0.05 -0.69 -0.60 0.26 5.85 0.86 -2.33 115.31 118.61 3ink h LEU 17 Ca -0.23 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.71 3ink h LEU 17 Cb 1.97 0.31 -0.11 0.00 0.37 0.00 0.00 40.66 43.21 3ink h LEU 17 CO 0.22 -0.27 -0.35 0.25 -0.34 0.00 0.00 178.44 177.95 3ink h LEU 18 N -0.26 -1.21 -1.23 2.25 5.85 -1.24 0.99 115.31 120.45 3ink h LEU 18 Ca 0.11 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 3ink h LEU 18 Cb 0.43 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3ink h LEU 18 CO -0.31 -0.31 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.12 3ink h LEU 19 N -0.17 0.00 -0.29 2.25 4.07 -1.42 -0.26 115.31 119.49 3ink h LEU 19 Ca 0.23 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.04 3ink h LEU 19 Cb 0.55 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 3ink h LEU 19 CO -0.69 0.29 -0.38 0.44 -1.08 0.00 0.00 178.44 177.02 3ink h ASP 20 N 0.00 0.84 -0.21 -0.43 3.32 -0.29 -1.81 116.42 117.85 3ink h ASP 20 Ca -0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 3ink h ASP 20 Cb 0.71 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3ink h ASP 20 CO 0.04 1.17 0.07 -0.07 -1.72 0.00 0.00 179.24 178.73 3ink h LEU 21 N 0.53 0.30 -1.21 1.55 3.38 -1.13 -1.25 115.31 117.48 3ink h LEU 21 Ca 0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3ink h LEU 21 Cb 0.97 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3ink h LEU 21 CO 0.09 0.40 0.05 1.56 0.09 0.00 0.00 178.44 180.63 3ink h GLN 22 N 0.17 0.59 0.00 1.13 4.20 -1.07 -1.29 115.11 118.84 3ink h GLN 22 Ca 0.07 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3ink h GLN 22 Cb 0.21 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3ink h GLN 22 CO -0.00 0.58 -0.34 0.52 -0.67 0.00 0.00 178.83 178.92 3ink h MET 23 N 0.57 0.00 0.07 1.46 2.86 -0.80 -1.38 114.93 117.71 3ink h MET 23 Ca 0.13 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.49 3ink h MET 23 Cb 0.30 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.98 3ink h MET 23 CO 0.00 0.34 -1.12 0.82 1.06 0.00 0.00 176.91 178.01 3ink h ILE 24 N 0.00 1.29 -0.32 -1.22 2.04 -0.20 -3.13 117.51 115.98 3ink h ILE 24 Ca -0.00 -2.35 -0.05 0.00 1.00 0.00 0.00 64.86 63.45 3ink h ILE 24 Cb 0.83 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 3ink h ILE 24 CO 0.04 0.72 -0.01 0.25 0.00 0.00 0.00 178.15 179.15 3ink h LEU 25 N 0.28 0.55 -2.10 1.44 5.85 -1.14 -2.44 115.31 117.76 3ink h LEU 25 Ca -0.16 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 3ink h LEU 25 Cb 1.79 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 3ink h LEU 25 CO 0.22 0.73 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.85 3ink h ASN 26 N 0.36 0.00 -0.15 1.25 -1.24 -1.35 -1.45 115.58 113.00 3ink h ASN 26 Ca 0.09 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.92 3ink h ASN 26 Cb 0.46 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.51 3ink h ASN 26 CO 0.02 0.08 -0.60 1.23 -1.29 0.00 0.00 177.43 176.86 3ink h GLY 27 N 0.43 0.74 0.70 1.57 0.00 -1.39 -3.34 103.07 101.78 3ink h GLY 27 Ca -0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 47.33 46.05 3ink h GLY 27 CO 0.01 0.90 -1.31 0.16 0.00 0.00 0.00 176.54 176.30 3ink h ILE 28 N 0.35 1.16 0.00 2.60 3.07 -1.31 -3.43 117.51 119.95 3ink h ILE 28 Ca -0.03 -2.48 -0.15 0.00 1.55 0.00 0.00 64.86 63.75 3ink h ILE 28 Cb 1.24 2.87 0.01 0.00 -0.27 0.00 0.00 36.82 40.67 3ink h ILE 28 CO 0.13 0.74 1.55 -3.20 -1.05 0.00 0.00 178.15 176.31 3ink n ASN 29 N -3.92 1.67 -3.60 2.16 5.15 -0.56 -4.71 115.26 111.45 3ink n ASN 29 Ca -0.21 -2.13 -0.09 0.00 -0.60 0.00 0.00 54.58 51.55 3ink n ASN 29 Cb 0.92 -0.70 -0.02 0.00 -0.53 0.00 0.00 39.78 39.45 3ink n ASN 29 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3ink s ASN 30 N 4.53 -0.42 0.27 1.20 2.20 -1.26 -4.91 114.94 116.55 3ink s ASN 30 Ca 0.15 -0.23 0.23 0.00 -0.94 0.00 0.00 52.86 52.08 3ink s ASN 30 Cb 0.04 0.62 1.02 0.00 -2.00 0.00 0.00 41.25 40.92 3ink s ASN 30 CO -0.00 -1.06 1.71 -1.22 -2.94 0.00 0.00 177.10 173.59 3ink n TYR 31 N -0.40 0.81 1.12 1.54 4.01 -1.26 -0.82 117.16 122.16 3ink n TYR 31 Ca -0.11 0.34 0.08 0.00 -0.16 0.00 0.00 57.90 58.04 3ink n TYR 31 Cb 0.62 -1.04 0.26 0.00 -0.31 0.00 0.00 39.34 38.87 3ink n TYR 31 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3ink n LYS 32 N -2.26 1.71 -3.67 -0.72 4.81 -1.26 -4.51 118.16 112.26 3ink n LYS 32 Ca 0.01 -1.08 -0.38 0.00 -0.87 0.00 0.00 58.31 56.00 3ink n LYS 32 Cb 0.20 -1.31 -0.09 0.00 0.02 0.00 0.00 35.03 33.85 3ink n LYS 32 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3ink s ASN 33 N -1.26 5.42 0.00 3.14 2.47 -0.00 -4.92 114.94 119.80 3ink s ASN 33 Ca 0.26 -2.83 0.21 0.00 0.42 0.00 0.00 52.86 50.92 3ink s ASN 33 Cb 0.14 -1.90 1.15 0.00 -1.45 0.00 0.00 41.25 39.19 3ink s ASN 33 CO 0.20 -0.39 1.67 -0.81 -3.72 0.00 0.00 177.10 174.05 3ink n PRO 34 N 3.55 0.43 -0.27 0.43 -0.04 -1.26 -2.50 135.00 135.34 3ink n PRO 34 Ca 0.08 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 3ink n PRO 34 Cb 0.39 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.54 3ink n PRO 34 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ink n LYS 35 N -1.19 2.34 -0.13 0.54 4.01 -1.26 -4.68 118.16 117.79 3ink n LYS 35 Ca 0.12 -2.62 -0.05 0.00 -0.51 0.00 0.00 58.31 55.25 3ink n LYS 35 Cb 0.14 -1.63 0.01 0.00 -0.51 0.00 0.00 35.03 33.04 3ink n LYS 35 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 3ink h LEU 36 N 1.07 -0.72 -1.09 -0.35 5.85 -1.81 -1.50 115.31 116.76 3ink h LEU 36 Ca 0.00 0.16 0.17 0.00 0.84 0.00 0.00 57.88 59.05 3ink h LEU 36 Cb 1.18 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 42.50 3ink h LEU 36 CO 0.11 -0.24 0.61 0.71 -0.34 0.00 0.00 178.44 179.30 3ink h THR 37 N -0.13 0.77 0.01 1.05 1.35 -1.88 0.24 112.91 114.33 3ink h THR 37 Ca 0.20 -0.27 -0.26 0.00 -0.55 0.00 0.00 66.41 65.53 3ink h THR 37 Cb 0.45 -0.08 0.02 0.00 -1.73 0.00 0.00 68.15 66.81 3ink h THR 37 CO -0.51 0.14 -1.05 0.03 -0.25 0.00 0.00 175.52 173.88 3ink h ARG 38 N 0.78 0.64 -0.37 4.72 3.08 -1.64 -3.13 114.38 118.45 3ink h ARG 38 Ca 0.53 -0.71 0.04 0.00 0.07 0.00 0.00 59.98 59.92 3ink h ARG 38 Cb 0.81 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3ink h ARG 38 CO -0.31 1.29 0.25 0.52 -1.07 0.00 0.00 179.97 180.65 3ink h MET 39 N 0.35 0.33 0.00 0.04 2.86 -0.30 0.74 114.93 118.95 3ink h MET 39 Ca -0.13 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3ink h MET 39 Cb 1.70 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.29 3ink h MET 39 CO 0.20 0.22 0.00 -0.11 1.06 0.00 0.00 176.91 178.28 3ink n LEU 40 N -4.48 0.45 -0.92 1.22 7.94 -0.30 -3.09 117.00 117.81 3ink n LEU 40 Ca 0.04 0.63 0.12 0.00 -1.11 0.00 0.00 56.01 55.69 3ink n LEU 40 Cb 0.19 -0.59 0.20 0.00 0.53 0.00 0.00 43.42 43.75 3ink n LEU 40 CO 0.35 -0.54 0.69 0.35 -1.11 0.00 0.00 177.39 177.12 3ink n THR 41 N -2.02 0.12 -2.78 1.96 -2.24 0.25 -4.74 114.28 104.84 3ink n THR 41 Ca 0.02 -0.51 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 3ink n THR 41 Cb 0.17 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 3ink n THR 41 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3ink s PHE 42 N -1.88 3.48 -0.16 4.78 0.08 -1.18 -5.06 117.98 118.04 3ink s PHE 42 Ca 0.32 1.69 -0.15 0.00 0.12 0.00 0.00 56.93 58.91 3ink s PHE 42 Cb 0.21 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.71 3ink s PHE 42 CO 0.31 -0.01 0.34 0.15 -0.10 0.00 0.00 175.22 175.90 3ink s LYS 43 N -2.62 4.27 -0.03 0.44 -0.14 -1.26 -4.62 119.74 115.77 3ink s LYS 43 Ca 0.56 0.17 0.07 0.00 -1.36 0.00 0.00 55.97 55.41 3ink s LYS 43 Cb -0.14 -3.44 -0.02 0.00 -1.68 0.00 0.00 37.83 32.54 3ink s LYS 43 CO 0.19 0.19 -0.22 -0.06 -0.76 0.00 0.00 175.35 174.69 3ink s PHE 44 N 0.60 2.45 0.22 3.18 0.08 0.80 -4.96 117.98 120.35 3ink s PHE 44 Ca 0.18 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.73 3ink s PHE 44 Cb -0.14 -1.54 -0.08 0.00 -0.57 0.00 0.00 43.02 40.69 3ink s PHE 44 CO 0.05 0.02 0.62 0.71 -0.10 0.00 0.00 175.22 176.52 3ink s TYR 45 N -0.62 3.51 0.09 0.36 2.02 -1.26 -1.05 117.35 120.40 3ink s TYR 45 Ca 0.10 1.09 0.08 0.00 -0.37 0.00 0.00 57.07 57.97 3ink s TYR 45 Cb -0.10 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 3ink s TYR 45 CO -0.00 0.30 -0.14 -1.64 -1.57 0.00 0.00 175.55 172.49 3ink s MET 46 N -2.43 2.00 0.26 -0.62 -1.94 -1.26 -4.91 119.30 110.40 3ink s MET 46 Ca 0.45 -1.07 -0.27 0.00 -1.71 0.00 0.00 55.69 53.09 3ink s MET 46 Cb -0.13 -2.22 -0.09 0.00 2.01 0.00 0.00 34.83 34.40 3ink s MET 46 CO 0.20 0.51 0.90 -1.25 -0.01 0.00 0.00 175.02 175.37 3ink s PRO 47 N -2.01 4.65 0.01 2.03 0.04 -1.26 -0.08 135.00 138.38 3ink s PRO 47 Ca 0.19 1.33 -0.22 0.00 0.04 0.00 0.00 61.00 62.34 3ink s PRO 47 Cb -0.11 -3.04 -0.12 0.00 0.04 0.00 0.00 34.50 31.27 3ink s PRO 47 CO 0.10 0.41 1.01 -0.22 0.04 0.00 0.00 177.00 178.35 3ink h LYS 48 N 3.69 -0.75 -6.63 4.56 3.64 -1.17 -3.42 116.57 116.50 3ink h LYS 48 Ca -0.46 0.05 -0.66 0.00 -1.27 0.00 0.00 60.65 58.31 3ink h LYS 48 Cb 1.20 0.17 -0.17 0.00 -0.41 0.00 0.00 32.23 33.01 3ink h LYS 48 CO 0.66 -0.50 -0.78 0.15 -2.27 0.00 0.00 179.45 176.71 3ink s LYS 49 N -4.22 1.82 -0.46 1.90 1.02 -1.26 -4.95 119.74 113.59 3ink s LYS 49 Ca -0.11 -1.26 0.07 0.00 0.02 0.00 0.00 55.97 54.68 3ink s LYS 49 Cb 0.01 -2.09 0.25 0.00 -0.52 0.00 0.00 37.83 35.49 3ink s LYS 49 CO 0.34 0.45 0.84 0.00 -0.92 0.00 0.00 175.35 176.07 3ink n ALA 50 N 0.50 -0.52 0.61 5.17 0.00 -1.26 -4.94 120.51 120.07 3ink n ALA 50 Ca -0.14 -1.84 0.07 0.00 0.00 0.00 0.00 53.44 51.53 3ink n ALA 50 Cb 0.54 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 3ink n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ink n THR 51 N 1.42 0.00 -4.24 0.00 -2.24 -1.26 -4.96 114.28 103.00 3ink n THR 51 Ca 0.11 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 3ink n THR 51 Cb 0.62 0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 3ink n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ink s GLU 52 N -2.57 1.19 0.45 -0.78 2.02 -1.26 -5.02 118.70 112.73 3ink s GLU 52 Ca 0.04 -1.61 0.23 0.00 0.02 0.00 0.00 54.97 53.65 3ink s GLU 52 Cb 0.11 -0.05 1.07 0.00 0.10 0.00 0.00 34.13 35.36 3ink s GLU 52 CO 0.64 -0.26 1.91 -0.07 0.02 0.00 0.00 175.26 177.50 3ink h LEU 53 N 2.62 0.00 -1.79 1.80 3.38 -1.97 -0.48 115.31 118.87 3ink h LEU 53 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3ink h LEU 53 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3ink h LEU 53 CO 0.59 0.23 0.07 0.07 0.09 0.00 0.00 178.44 179.49 3ink h LYS 54 N 0.00 0.20 0.00 1.13 2.10 -1.91 0.13 116.57 118.22 3ink h LYS 54 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3ink h LYS 54 Cb 0.59 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 3ink h LYS 54 CO 0.03 0.16 0.00 0.72 -2.00 0.00 0.00 179.45 178.36 3ink n HIS 55 N -4.48 0.00 0.33 0.07 8.25 -0.19 -2.28 115.22 116.92 3ink n HIS 55 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.53 3ink n HIS 55 Cb 0.11 -0.27 0.36 0.00 1.12 0.00 0.00 29.99 31.31 3ink n HIS 55 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ink n LEU 56 N -1.27 0.31 -0.08 2.41 4.77 0.45 -1.51 117.00 122.08 3ink n LEU 56 Ca 0.05 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3ink n LEU 56 Cb 0.07 -0.58 0.28 0.00 -2.33 0.00 0.00 43.42 40.87 3ink n LEU 56 CO 0.07 -0.50 1.05 -0.61 -1.33 0.00 0.00 177.39 176.07 3ink h GLN 57 N 0.00 0.71 0.00 3.23 -0.00 -1.68 0.15 115.11 117.52 3ink h GLN 57 Ca 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.51 3ink h GLN 57 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 27.48 27.55 3ink h GLN 57 CO 0.00 0.59 -0.16 0.00 0.00 0.00 0.00 178.83 179.26 3ink h LEU 59 N 0.00 0.31 -0.78 0.00 5.85 -1.35 -3.33 115.31 116.01 3ink h LEU 59 Ca -0.00 -0.81 0.13 0.00 0.84 0.00 0.00 57.88 58.03 3ink h LEU 59 Cb 0.36 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 3ink h LEU 59 CO 0.02 1.63 0.37 -0.08 -0.34 0.00 0.00 178.44 180.04 3ink h GLU 60 N -0.38 0.55 0.00 1.25 4.81 0.21 -0.54 114.58 120.48 3ink h GLU 60 Ca -0.33 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 3ink h GLU 60 Cb 1.71 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 3ink h GLU 60 CO 0.01 0.36 -0.08 0.93 -0.73 0.00 0.00 179.01 179.50 3ink h GLU 61 N 0.57 0.00 -0.03 1.92 5.08 -0.92 -2.94 114.58 118.26 3ink h GLU 61 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3ink h GLU 61 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3ink h GLU 61 CO -0.34 0.08 -0.02 0.39 -1.00 0.00 0.00 179.01 178.13 3ink n GLU 62 N -4.11 2.11 0.08 2.33 -0.58 -0.23 -4.56 120.64 115.67 3ink n GLU 62 Ca -0.03 -1.63 0.02 0.00 -0.42 0.00 0.00 57.16 55.10 3ink n GLU 62 Cb 0.17 -1.47 0.37 0.00 -0.57 0.00 0.00 31.44 29.94 3ink n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3ink h LEU 63 N 3.99 0.32 0.05 -4.62 4.07 -1.32 -1.20 115.31 116.61 3ink h LEU 63 Ca 0.00 -0.06 -0.28 0.00 0.08 0.00 0.00 57.88 57.62 3ink h LEU 63 Cb 0.86 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.49 3ink h LEU 63 CO 0.00 0.43 -1.47 0.50 -1.08 0.00 0.00 178.44 176.82 3ink h LYS 64 N 0.33 0.11 -0.66 1.13 3.11 -1.81 -1.03 116.57 117.75 3ink h LYS 64 Ca 0.07 -0.20 0.13 0.00 -2.81 0.00 0.00 60.65 57.84 3ink h LYS 64 Cb 0.33 0.07 -0.09 0.00 -1.00 0.00 0.00 32.23 31.54 3ink h LYS 64 CO 0.01 0.91 0.18 -1.35 -2.81 0.00 0.00 179.45 176.39 3ink h PRO 65 N 0.03 0.30 -0.66 1.90 0.11 -1.86 -1.82 132.00 130.01 3ink h PRO 65 Ca -0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 3ink h PRO 65 Cb 1.95 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.96 3ink h PRO 65 CO 0.13 0.20 0.38 1.25 -0.21 0.00 0.00 178.00 179.74 3ink h LEU 66 N 0.31 0.82 -0.44 2.35 6.46 -1.11 -2.28 115.31 121.42 3ink h LEU 66 Ca 0.36 -0.08 -0.14 0.00 -0.12 0.00 0.00 57.88 57.90 3ink h LEU 66 Cb 0.55 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 3ink h LEU 66 CO -0.42 0.66 -0.25 -0.08 -0.62 0.00 0.00 178.44 177.73 3ink h GLU 67 N 0.91 0.95 -0.11 1.25 4.81 -0.97 -1.18 114.58 120.24 3ink h GLU 67 Ca 0.24 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3ink h GLU 67 Cb 0.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3ink h GLU 67 CO -0.04 1.10 -0.02 0.93 -0.73 0.00 0.00 179.01 180.25 3ink h GLU 68 N 0.79 0.00 -0.53 1.92 4.39 -0.99 -2.74 114.58 117.42 3ink h GLU 68 Ca 0.09 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 3ink h GLU 68 Cb 0.84 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3ink h GLU 68 CO 0.07 0.00 -0.04 0.28 -1.16 0.00 0.00 179.01 178.16 3ink h VAL 69 N 0.00 1.27 0.00 3.13 2.07 -1.39 -1.81 116.25 119.52 3ink h VAL 69 Ca 0.05 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3ink h VAL 69 Cb 0.08 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3ink h VAL 69 CO -0.11 0.41 0.07 0.18 0.02 0.00 0.00 177.57 178.15 3ink n LEU 70 N -4.23 0.20 0.21 2.57 4.77 -0.45 -0.43 117.00 119.63 3ink n LEU 70 Ca 0.01 0.55 0.15 0.00 -0.03 0.00 0.00 56.01 56.69 3ink n LEU 70 Cb 0.36 -0.56 0.58 0.00 -2.33 0.00 0.00 43.42 41.47 3ink n LEU 70 CO 0.44 -0.62 0.93 0.78 -1.33 0.00 0.00 177.39 177.59 3ink h ASN 71 N 0.00 0.00 1.12 -1.43 2.35 -1.20 -1.63 115.58 114.80 3ink h ASN 71 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 3ink h ASN 71 Cb 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3ink h ASN 71 CO 0.00 0.00 -0.66 -0.07 -1.65 0.00 0.00 177.43 175.05 3ink h LEU 72 N 0.00 0.00-10.01 1.61 -0.00 -0.92 -3.46 115.31 102.53 3ink h LEU 72 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.40 3ink h LEU 72 Cb 0.47 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.16 3ink h LEU 72 CO 0.00 0.66 0.41 0.00 -0.00 0.00 0.00 178.44 179.52 3ink s ALA 73 N -3.06 2.98 -0.25 1.53 0.00 -0.61 -4.82 121.76 117.53 3ink s ALA 73 Ca 0.02 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 3ink s ALA 73 Cb 0.09 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 3ink s ALA 73 CO 0.76 -0.33 1.27 -0.65 0.00 0.00 0.00 175.76 176.81 3ink s GLN 74 N -2.80 4.04 0.32 0.00 1.11 -1.26 -4.92 119.66 116.15 3ink s GLN 74 Ca 0.62 1.39 0.09 0.00 0.01 0.00 0.00 55.36 57.47 3ink s GLN 74 Cb -0.21 -3.83 0.92 0.00 -1.01 0.00 0.00 33.01 28.88 3ink s GLN 74 CO 0.26 -0.95 1.67 0.77 0.01 0.00 0.00 175.29 177.05 3ink h SER 75 N 8.81 0.40 -0.76 5.90 0.02 -1.94 -3.04 113.55 122.94 3ink h SER 75 Ca -0.26 0.18 0.14 0.00 -0.84 0.00 0.00 61.79 61.01 3ink h SER 75 Cb 1.10 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 3ink h SER 75 CO 1.01 -0.09 0.51 0.07 -1.14 0.00 0.00 176.83 177.19 3ink h LYS 76 N 0.35 0.46 -0.19 3.45 2.10 -1.97 -2.61 116.57 118.16 3ink h LYS 76 Ca 0.66 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.28 3ink h LYS 76 Cb 1.39 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3ink h LYS 76 CO -0.59 0.31 0.00 0.09 -2.00 0.00 0.00 179.45 177.26 3ink n ASN 77 N -4.49 1.30 -4.88 7.07 3.02 -1.15 -4.79 115.26 111.35 3ink n ASN 77 Ca 0.14 -1.82 -0.35 0.00 -0.03 0.00 0.00 54.58 52.52 3ink n ASN 77 Cb 0.49 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 3ink n ASN 77 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ink s PHE 78 N -1.75 3.58 0.23 3.10 0.40 -0.98 -4.34 117.98 118.22 3ink s PHE 78 Ca 0.24 0.63 0.13 0.00 -0.60 0.00 0.00 56.93 57.33 3ink s PHE 78 Cb 0.12 -2.03 0.46 0.00 0.51 0.00 0.00 43.02 42.07 3ink s PHE 78 CO 0.18 0.59 1.65 1.25 0.70 0.00 0.00 175.22 179.59 3ink h HIS 79 N 3.93 0.00 -3.45 0.36 -0.00 -1.87 -3.44 115.15 110.70 3ink h HIS 79 Ca -0.50 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.38 3ink h HIS 79 Cb 1.20 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 28.42 3ink h HIS 79 CO 0.68 0.54 -0.78 -1.17 -0.00 0.00 0.00 177.93 177.20 3ink s LEU 80 N -7.40 2.41 0.20 0.26 2.96 -1.26 -5.09 118.68 110.77 3ink s LEU 80 Ca -0.01 -0.83 -0.32 0.00 -0.22 0.00 0.00 54.13 52.75 3ink s LEU 80 Cb 0.12 -0.75 -0.12 0.00 0.50 0.00 0.00 46.19 45.94 3ink s LEU 80 CO 0.74 -0.06 1.69 0.54 -1.32 0.00 0.00 176.35 177.94 3ink n ARG 81 N 0.44 2.65 -0.36 1.98 1.74 -1.26 -4.81 116.66 117.04 3ink n ARG 81 Ca -0.14 0.95 0.30 0.00 -0.77 0.00 0.00 57.85 58.19 3ink n ARG 81 Cb 0.57 -2.78 0.61 0.00 -1.02 0.00 0.00 32.46 29.84 3ink n ARG 81 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3ink h PRO 82 N 6.49 0.21 -0.71 5.56 0.13 -1.93 0.23 132.00 141.97 3ink h PRO 82 Ca -0.44 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.75 3ink h PRO 82 Cb 1.21 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3ink h PRO 82 CO 0.93 0.14 0.40 0.07 -0.23 0.00 0.00 178.00 179.31 3ink h ARG 83 N 0.21 0.70 -0.18 0.86 -0.00 -1.99 0.28 114.38 114.26 3ink h ARG 83 Ca 0.64 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.98 60.52 3ink h ARG 83 Cb 1.98 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.97 31.79 3ink h ARG 83 CO -0.23 0.46 -0.11 -0.44 -0.00 0.00 0.00 179.97 179.65 3ink h ASP 84 N 0.72 0.41 -1.01 0.08 5.19 -0.90 -1.03 116.42 119.89 3ink h ASP 84 Ca 0.33 -0.43 0.02 0.00 -0.62 0.00 0.00 57.03 56.32 3ink h ASP 84 Cb 0.23 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.57 3ink h ASP 84 CO -0.20 0.76 0.66 -0.07 -3.12 0.00 0.00 179.24 177.27 3ink h LEU 85 N 0.07 1.14 -0.42 1.55 3.38 -0.83 0.12 115.31 120.32 3ink h LEU 85 Ca 0.04 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3ink h LEU 85 Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3ink h LEU 85 CO 0.03 0.81 -0.75 0.40 0.09 0.00 0.00 178.44 179.02 3ink h ILE 86 N 1.34 1.42 -0.23 1.22 1.08 -0.34 -1.96 117.51 120.03 3ink h ILE 86 Ca 0.38 -2.26 -0.08 0.00 -0.39 0.00 0.00 64.86 62.50 3ink h ILE 86 Cb -0.11 2.21 -0.00 0.00 -3.07 0.00 0.00 36.82 35.84 3ink h ILE 86 CO -0.09 0.67 -0.16 0.28 -0.69 0.00 0.00 178.15 178.15 3ink h SER 87 N 0.19 0.54 0.14 1.72 0.02 0.14 -1.03 113.55 115.27 3ink h SER 87 Ca -0.03 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3ink h SER 87 Cb 1.33 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 3ink h SER 87 CO 0.12 0.87 -0.30 0.78 -1.14 0.00 0.00 176.83 177.17 3ink h ASN 88 N 0.22 -0.84 -0.23 3.07 4.21 -0.76 0.07 115.58 121.31 3ink h ASN 88 Ca 0.04 0.10 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 3ink h ASN 88 Cb 0.69 0.32 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 3ink h ASN 88 CO 0.04 -0.39 0.09 0.40 -1.29 0.00 0.00 177.43 176.29 3ink h ILE 89 N -0.52 1.13 0.00 2.81 2.04 -1.31 -1.62 117.51 120.04 3ink h ILE 89 Ca 0.03 -0.45 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 3ink h ILE 89 Cb 0.55 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3ink h ILE 89 CO -0.16 0.17 -0.56 -1.13 0.00 0.00 0.00 178.15 176.47 3ink h ASN 90 N 0.42 0.00 0.08 1.72 -0.00 0.33 -1.69 115.58 116.44 3ink h ASN 90 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.28 3ink h ASN 90 Cb 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.47 3ink h ASN 90 CO -0.01 0.56 -0.52 0.58 -0.00 0.00 0.00 177.43 178.03 3ink h VAL 91 N 0.00 1.59 -0.66 2.57 2.07 -0.40 -2.73 116.25 118.70 3ink h VAL 91 Ca -0.01 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 3ink h VAL 91 Cb 0.99 3.18 -0.03 0.00 -1.52 0.00 0.00 31.29 33.91 3ink h VAL 91 CO 0.07 0.66 0.37 0.40 0.02 0.00 0.00 177.57 179.09 3ink h ILE 92 N -0.54 1.20 -0.53 4.57 2.04 -1.30 0.49 117.51 123.44 3ink h ILE 92 Ca -0.09 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.17 3ink h ILE 92 Cb 1.39 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3ink h ILE 92 CO 0.10 0.22 -0.06 0.58 0.00 0.00 0.00 178.15 178.99 3ink h VAL 93 N 0.89 1.27 -0.46 1.67 2.07 -1.41 0.12 116.25 120.41 3ink h VAL 93 Ca 0.23 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 3ink h VAL 93 Cb 0.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3ink h VAL 93 CO -0.04 0.42 -0.01 -0.07 0.02 0.00 0.00 177.57 177.89 3ink h LEU 94 N 0.86 0.74 -0.09 2.57 3.38 -1.18 -1.85 115.31 119.74 3ink h LEU 94 Ca 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ink h LEU 94 Cb 0.62 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ink h LEU 94 CO 0.04 0.81 -0.12 -0.62 0.09 0.00 0.00 178.44 178.65 3ink n GLU 95 N -4.21 0.34 -0.05 1.13 1.02 0.14 -4.37 120.64 114.64 3ink n GLU 95 Ca 0.02 -0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 57.02 3ink n GLU 95 Cb 0.30 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 3ink n GLU 95 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ink n LEU 96 N -1.25 0.28 -4.74 -4.62 4.77 0.37 -5.02 117.00 106.77 3ink n LEU 96 Ca 0.11 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 3ink n LEU 96 Cb 0.30 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3ink n LEU 96 CO 0.26 0.30 1.25 -0.75 -1.33 0.00 0.00 177.39 177.13 3ink s LYS 97 N -2.25 4.14 0.00 3.23 2.20 -0.79 -4.77 119.74 121.50 3ink s LYS 97 Ca -0.06 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 3ink s LYS 97 Cb 0.03 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 3ink s LYS 97 CO 0.41 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 3ink n GLY 98 N 2.52 0.00 0.00 5.54 0.00 -1.26 -4.93 105.19 107.06 3ink n GLY 98 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ink n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ink s GLU 106 N -2.77 3.33 0.53 0.00 4.04 -1.26 -5.02 118.70 117.55 3ink s GLU 106 Ca 0.00 -1.10 -0.08 0.00 0.04 0.00 0.00 54.97 53.83 3ink s GLU 106 Cb 0.00 -4.58 -0.04 0.00 0.02 0.00 0.00 34.13 29.53 3ink s GLU 106 CO 0.00 -1.89 0.88 0.71 -1.84 0.00 0.00 175.26 173.13 3ink s TYR 107 N 3.91 3.58 0.25 4.83 2.02 -1.26 -0.74 117.35 129.95 3ink s TYR 107 Ca 0.30 1.02 -0.09 0.00 -0.37 0.00 0.00 57.07 57.93 3ink s TYR 107 Cb -0.10 -2.48 -0.07 0.00 -0.40 0.00 0.00 41.96 38.91 3ink s TYR 107 CO 0.02 -0.43 0.56 0.00 -1.57 0.00 0.00 175.55 174.13 3ink s ALA 108 N -2.89 3.57 0.10 3.71 0.00 0.89 -4.54 121.76 122.60 3ink s ALA 108 Ca 0.51 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3ink s ALA 108 Cb -0.11 -2.41 -0.13 0.00 0.00 0.00 0.00 23.12 20.47 3ink s ALA 108 CO 0.47 0.44 1.62 -0.44 0.00 0.00 0.00 175.76 177.85 3ink h ASP 109 N 2.33 -0.90 -3.46 0.00 3.32 -1.97 -3.40 116.42 112.34 3ink h ASP 109 Ca -0.47 0.08 -0.53 0.00 0.02 0.00 0.00 57.03 56.13 3ink h ASP 109 Cb 1.17 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 41.01 3ink h ASP 109 CO 0.68 -0.47 0.37 -0.70 -1.72 0.00 0.00 179.24 177.40 3ink s GLU 110 N -6.02 4.61 0.61 3.56 2.12 -1.26 -5.04 118.70 117.28 3ink s GLU 110 Ca -0.17 1.44 -0.04 0.00 0.36 0.00 0.00 54.97 56.56 3ink s GLU 110 Cb 0.06 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 31.05 3ink s GLU 110 CO 0.63 0.04 0.90 0.95 -0.54 0.00 0.00 175.26 177.24 3ink s THR 111 N 0.66 3.04 0.28 -1.70 -4.23 -1.26 -4.64 115.64 107.78 3ink s THR 111 Ca 0.50 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.79 3ink s THR 111 Cb -0.22 -3.22 -0.06 0.00 1.34 0.00 0.00 72.50 70.34 3ink s THR 111 CO 0.29 -0.21 0.05 0.00 -0.54 0.00 0.00 174.62 174.20 3ink s ALA 112 N -3.00 2.03 0.79 3.99 0.00 -0.22 -4.93 121.76 120.43 3ink s ALA 112 Ca 0.56 -1.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 3ink s ALA 112 Cb -0.11 0.69 0.07 0.00 0.00 0.00 0.00 23.12 23.78 3ink s ALA 112 CO 0.43 -0.32 1.16 -0.08 0.00 0.00 0.00 175.76 176.95 3ink s THR 113 N -3.44 2.18 0.13 0.00 -1.32 -1.26 -0.14 115.64 111.78 3ink s THR 113 Ca 0.34 0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.70 3ink s THR 113 Cb 0.07 -3.05 -0.02 0.00 -1.51 0.00 0.00 72.50 67.99 3ink s THR 113 CO 0.13 -0.06 1.56 0.40 -2.21 0.00 0.00 174.62 174.43 3ink h ILE 114 N -0.97 1.27 -0.24 5.08 1.08 -1.82 0.81 117.51 122.71 3ink h ILE 114 Ca -0.46 -1.06 -0.09 0.00 -0.39 0.00 0.00 64.86 62.86 3ink h ILE 114 Cb 1.32 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.21 3ink h ILE 114 CO 0.65 0.36 -0.23 0.58 -0.69 0.00 0.00 178.15 178.82 3ink h VAL 115 N 0.55 1.26 0.01 1.67 2.07 -1.94 -0.10 116.25 119.77 3ink h VAL 115 Ca 0.11 -1.22 -0.23 0.00 0.82 0.00 0.00 66.70 66.18 3ink h VAL 115 Cb 0.52 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3ink h VAL 115 CO 0.03 0.39 -0.98 -0.33 0.02 0.00 0.00 177.57 176.70 3ink h GLU 116 N 0.41 0.42 -0.14 1.57 5.08 -1.86 -2.35 114.58 117.71 3ink h GLU 116 Ca 0.06 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 3ink h GLU 116 Cb 0.63 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3ink h GLU 116 CO 0.05 1.13 -0.04 0.35 -1.00 0.00 0.00 179.01 179.50 3ink h PHE 117 N 0.23 0.32 -0.81 4.33 3.04 -0.57 -0.16 116.94 123.31 3ink h PHE 117 Ca -0.09 -0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.76 3ink h PHE 117 Cb 1.62 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 40.02 3ink h PHE 117 CO 0.06 0.58 0.38 -0.07 -2.02 0.00 0.00 178.31 177.25 3ink h LEU 118 N -0.04 1.06 -1.05 0.59 3.38 -0.98 -2.06 115.31 116.21 3ink h LEU 118 Ca 0.03 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3ink h LEU 118 Cb 0.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ink h LEU 118 CO 0.02 0.90 -0.31 0.78 0.09 0.00 0.00 178.44 179.92 3ink h ASN 119 N 1.16 0.30 0.50 -0.43 -0.26 -1.37 -0.86 115.58 114.62 3ink h ASN 119 Ca 0.28 -0.10 -0.18 0.00 -0.56 0.00 0.00 56.30 55.73 3ink h ASN 119 Cb 0.12 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 3ink h ASN 119 CO -0.03 0.60 -0.79 -0.09 -1.06 0.00 0.00 177.43 176.06 3ink h ARG 120 N 0.26 0.22 0.00 0.81 1.12 -0.30 -2.73 114.38 113.75 3ink h ARG 120 Ca 0.04 -0.20 -0.07 0.00 -1.11 0.00 0.00 59.98 58.63 3ink h ARG 120 Cb 0.68 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.68 3ink h ARG 120 CO 0.05 0.90 -0.44 -1.49 -3.11 0.00 0.00 179.97 175.87 3ink h TRP 121 N 0.14 0.00 -0.65 2.20 4.06 -1.18 -2.65 115.95 117.87 3ink h TRP 121 Ca -0.03 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.87 3ink h TRP 121 Cb 1.37 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.51 3ink h TRP 121 CO 0.03 0.32 0.22 0.82 -3.56 0.00 0.00 178.44 176.26 3ink h ILE 122 N 0.00 1.25 -0.73 1.49 2.04 -1.07 0.01 117.51 120.50 3ink h ILE 122 Ca -0.02 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 3ink h ILE 122 Cb 1.25 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3ink h ILE 122 CO 0.04 0.32 0.24 0.74 0.00 0.00 0.00 178.15 179.49 3ink h THR 123 N 0.94 1.26 -0.15 -0.27 2.02 -1.47 0.18 112.91 115.42 3ink h THR 123 Ca 0.21 -0.88 -0.20 0.00 0.77 0.00 0.00 66.41 66.31 3ink h THR 123 Cb 0.28 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3ink h THR 123 CO -0.01 0.35 -0.68 0.15 0.37 0.00 0.00 175.52 175.70 3ink h PHE 124 N 1.08 0.98 -0.36 3.16 3.57 -1.12 -0.25 116.94 123.99 3ink h PHE 124 Ca 0.24 -0.43 0.01 0.00 3.53 0.00 0.00 57.97 61.33 3ink h PHE 124 Cb 0.29 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3ink h PHE 124 CO 0.02 1.24 0.22 0.00 -2.23 0.00 0.00 178.31 177.57 3ink h ALA 125 N 0.54 0.46 -0.10 2.41 0.00 -0.29 -0.34 119.26 121.94 3ink h ALA 125 Ca -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3ink h ALA 125 Cb 1.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3ink h ALA 125 CO 0.14 -0.12 -0.22 1.96 0.00 0.00 0.00 179.25 181.01 3ink h GLN 126 N 0.45 0.18 -0.13 0.00 4.20 -0.61 -2.82 115.11 116.38 3ink h GLN 126 Ca 0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3ink h GLN 126 Cb -0.01 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3ink h GLN 126 CO -0.06 0.40 0.02 1.03 -0.67 0.00 0.00 178.83 179.55 3ink h SER 127 N 0.16 0.20 -0.35 1.46 0.87 0.66 -2.85 113.55 113.71 3ink h SER 127 Ca 0.03 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.26 3ink h SER 127 Cb 0.49 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3ink h SER 127 CO 0.03 0.41 -0.01 0.40 -0.53 0.00 0.00 176.83 177.14 3ink h ILE 128 N -0.02 1.23 -0.30 2.23 1.08 -1.09 -2.56 117.51 118.08 3ink h ILE 128 Ca 0.04 -0.96 0.05 0.00 -0.39 0.00 0.00 64.86 63.60 3ink h ILE 128 Cb 0.30 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 3ink h ILE 128 CO 0.00 0.34 -0.02 0.40 -0.69 0.00 0.00 178.15 178.18 3ink h ILE 129 N 0.67 0.76 0.00 -0.67 2.04 -1.48 0.64 117.51 119.47 3ink h ILE 129 Ca 0.13 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3ink h ILE 129 Cb 0.43 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3ink h ILE 129 CO 0.02 0.01 0.00 -1.20 0.00 0.00 0.00 178.15 176.98 3ink n SER 130 N -5.18 0.00 -0.10 1.72 7.64 -0.97 0.22 113.62 116.95 3ink n SER 130 Ca 0.00 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 59.91 3ink n SER 130 Cb 0.16 -0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 63.00 3ink n SER 130 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3ink n THR 131 N -1.22 1.46 0.12 0.44 -1.04 0.18 -4.33 114.28 109.88 3ink n THR 131 Ca 0.02 -0.74 -0.06 0.00 -2.04 0.00 0.00 64.05 61.23 3ink n THR 131 Cb 0.02 -0.92 0.11 0.00 -1.82 0.00 0.00 70.33 67.72 3ink n THR 131 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3ink n LEU 132 N -3.00 4.02 0.00 -4.42 7.94 0.13 -5.15 117.00 116.53 3ink n LEU 132 Ca -0.37 -2.08 0.00 0.00 -1.11 0.00 0.00 56.01 52.45 3ink n LEU 132 Cb 1.08 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 44.41 3ink n LEU 132 CO 0.37 0.62 0.00 0.41 -1.11 0.00 0.00 177.39 177.68