#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgk n ASP 17 N 0.00 0.00 -0.27 -2.24 4.64 -1.26 -1.20 116.55 116.22 1dgk n ASP 17 Ca 0.00 0.92 -0.12 0.00 -1.38 0.00 0.00 54.79 54.21 1dgk n ASP 17 Cb 0.00 -0.42 -0.10 0.00 -1.04 0.00 0.00 41.12 39.56 1dgk n ASP 17 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 1dgk h GLN 18 N 0.00 -0.20 -0.76 -0.67 1.08 -2.01 0.96 115.11 113.51 1dgk h GLN 18 Ca 0.00 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1dgk h GLN 18 Cb 0.00 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 1dgk h GLN 18 CO 0.00 -0.13 0.45 0.28 -0.95 0.00 0.00 178.83 178.48 1dgk h VAL 19 N -0.21 1.02 -0.58 -0.54 2.07 -1.96 0.43 116.25 116.48 1dgk h VAL 19 Ca 0.11 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1dgk h VAL 19 Cb 0.51 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1dgk h VAL 19 CO -0.76 0.15 0.35 0.11 0.02 0.00 0.00 177.57 177.44 1dgk h LYS 20 N 0.83 0.66 -0.44 1.57 1.57 0.01 0.50 116.57 121.27 1dgk h LYS 20 Ca 0.33 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 1dgk h LYS 20 Cb 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1dgk h LYS 20 CO -0.17 0.43 -0.06 0.87 -0.57 0.00 0.00 179.45 179.95 1dgk h LYS 21 N 0.68 0.82 -0.91 3.15 1.79 -0.01 -1.92 116.57 120.16 1dgk h LYS 21 Ca 0.24 -0.29 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1dgk h LYS 21 Cb 0.05 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 1dgk h LYS 21 CO -0.11 0.91 0.59 0.82 -1.08 0.00 0.00 179.45 180.58 1dgk h ILE 22 N 0.66 1.16 -0.99 1.86 1.08 0.59 0.32 117.51 122.18 1dgk h ILE 22 Ca 0.12 -0.39 0.08 0.00 -0.39 0.00 0.00 64.86 64.27 1dgk h ILE 22 Cb 0.59 -0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 34.17 1dgk h ILE 22 CO 0.04 0.21 0.63 0.44 -0.69 0.00 0.00 178.15 178.78 1dgk h ASP 23 N 1.15 0.99 0.09 1.72 3.32 0.28 -0.67 116.42 123.31 1dgk h ASP 23 Ca 0.36 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1dgk h ASP 23 Cb -0.01 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1dgk h ASP 23 CO -0.12 0.60 -0.04 0.11 -1.72 0.00 0.00 179.24 178.07 1dgk h LYS 24 N 1.11 -0.12 -0.74 3.56 1.57 -0.15 0.77 116.57 122.56 1dgk h LYS 24 Ca 0.45 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.37 1dgk h LYS 24 Cb 0.26 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.50 1dgk h LYS 24 CO -0.20 0.36 0.29 -0.92 -0.57 0.00 0.00 179.45 178.41 1dgk h TYR 25 N -0.67 0.50 -0.57 -1.35 3.20 0.06 -0.77 116.97 117.37 1dgk h TYR 25 Ca -0.01 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 1dgk h TYR 25 Cb 0.53 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1dgk h TYR 25 CO 0.09 0.07 0.09 1.28 -1.64 0.00 0.00 178.16 178.05 1dgk n LEU 26 N -5.00 5.52 -0.32 2.82 4.77 -0.30 -4.73 117.00 119.76 1dgk n LEU 26 Ca 0.14 -3.08 0.17 0.00 -0.03 0.00 0.00 56.01 53.21 1dgk n LEU 26 Cb 0.40 -0.68 0.35 0.00 -2.33 0.00 0.00 43.42 41.16 1dgk n LEU 26 CO 0.19 0.72 0.95 0.22 -1.33 0.00 0.00 177.39 178.13 1dgk h TYR 27 N 3.10 0.39 0.00 -1.77 3.20 0.72 0.11 116.97 122.73 1dgk h TYR 27 Ca 0.10 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1dgk h TYR 27 Cb 2.01 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.26 1dgk h TYR 27 CO 1.06 -0.30 0.00 0.00 -1.64 0.00 0.00 178.16 177.29 1dgk n ALA 28 N -2.69 1.84 0.92 1.82 0.00 -1.26 -2.27 120.51 118.86 1dgk n ALA 28 Ca 0.25 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1dgk n ALA 28 Cb 0.82 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 19.09 1dgk n ALA 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1dgk n MET 29 N -1.46 0.05 -3.28 0.00 2.81 0.39 -4.66 117.12 110.98 1dgk n MET 29 Ca 0.05 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 1dgk n MET 29 Cb 0.19 -1.52 -0.01 0.00 -0.71 0.00 0.00 33.22 31.17 1dgk n MET 29 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1dgk n ARG 30 N -1.59 3.67 -2.02 0.03 0.63 -0.96 -4.56 116.66 111.87 1dgk n ARG 30 Ca 0.04 -4.51 -0.35 0.00 -0.92 0.00 0.00 57.85 52.11 1dgk n ARG 30 Cb 0.35 -2.50 0.03 0.00 0.45 0.00 0.00 32.46 30.80 1dgk n ARG 30 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1dgk s LEU 31 N -1.91 3.64 0.55 6.15 1.43 -1.26 -5.03 118.68 122.25 1dgk s LEU 31 Ca 0.31 2.30 0.06 0.00 -1.03 0.00 0.00 54.13 55.77 1dgk s LEU 31 Cb -0.03 -4.59 0.06 0.00 0.03 0.00 0.00 46.19 41.67 1dgk s LEU 31 CO -0.02 -1.55 0.76 -0.94 0.23 0.00 0.00 176.35 174.84 1dgk s SER 32 N -1.75 5.15 0.19 2.29 1.04 -1.26 -4.93 113.70 114.43 1dgk s SER 32 Ca 0.75 -0.50 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 1dgk s SER 32 Cb -0.28 -0.23 0.10 0.00 0.10 0.00 0.00 66.02 65.72 1dgk s SER 32 CO 0.33 -1.24 1.49 0.44 0.98 0.00 0.00 173.24 175.25 1dgk h ASP 33 N 0.17 0.61 -0.19 7.02 3.45 -1.98 -0.22 116.42 125.26 1dgk h ASP 33 Ca -0.36 -0.33 -0.00 0.00 0.43 0.00 0.00 57.03 56.76 1dgk h ASP 33 Cb 1.28 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 1dgk h ASP 33 CO 0.44 1.05 0.11 -0.08 -1.57 0.00 0.00 179.24 179.19 1dgk h GLU 34 N 0.41 0.26 -0.76 3.56 4.81 -1.99 0.14 114.58 121.02 1dgk h GLU 34 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1dgk h GLU 34 Cb 1.12 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 1dgk h GLU 34 CO 0.11 0.24 0.46 1.15 -0.73 0.00 0.00 179.01 180.24 1dgk h THR 35 N 0.22 1.21 -0.67 0.32 2.02 -1.90 -0.79 112.91 113.32 1dgk h THR 35 Ca 0.07 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1dgk h THR 35 Cb 0.05 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1dgk h THR 35 CO -0.01 0.22 0.22 -0.07 0.37 0.00 0.00 175.52 176.24 1dgk h LEU 36 N 1.03 0.98 -1.05 2.58 3.38 -0.43 0.04 115.31 121.84 1dgk h LEU 36 Ca 0.27 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1dgk h LEU 36 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1dgk h LEU 36 CO -0.05 0.92 0.48 0.40 0.09 0.00 0.00 178.44 180.28 1dgk h ILE 37 N 0.98 1.24 -0.21 1.22 2.04 -0.46 0.33 117.51 122.65 1dgk h ILE 37 Ca 0.22 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1dgk h ILE 37 Cb 0.29 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1dgk h ILE 37 CO -0.01 0.25 0.14 -0.78 0.00 0.00 0.00 178.15 177.75 1dgk h ASP 38 N 1.15 0.25 -0.82 1.72 3.58 -0.27 -1.33 116.42 120.69 1dgk h ASP 38 Ca 0.30 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.69 1dgk h ASP 38 Cb -0.01 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 1dgk h ASP 38 CO -0.05 0.19 0.35 0.40 -2.88 0.00 0.00 179.24 177.25 1dgk h ILE 39 N 0.28 1.26 -0.41 2.25 2.04 0.49 0.12 117.51 123.55 1dgk h ILE 39 Ca 0.08 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1dgk h ILE 39 Cb -0.02 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 1dgk h ILE 39 CO -0.02 0.33 0.19 -0.03 0.00 0.00 0.00 178.15 178.62 1dgk h MET 40 N 1.18 0.37 -0.54 2.37 4.05 -0.03 0.48 114.93 122.82 1dgk h MET 40 Ca 0.28 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.59 1dgk h MET 40 Cb 0.18 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1dgk h MET 40 CO -0.03 0.25 0.01 1.15 0.23 0.00 0.00 176.91 178.52 1dgk h THR 41 N 0.39 1.25 -0.48 -0.77 2.02 -0.63 -0.21 112.91 114.48 1dgk h THR 41 Ca 0.18 -1.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.25 1dgk h THR 41 Cb 0.11 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1dgk h THR 41 CO -0.14 0.38 0.10 0.03 0.37 0.00 0.00 175.52 176.26 1dgk h ARG 42 N 0.85 0.77 -0.22 6.66 3.08 -0.32 -2.36 114.38 122.85 1dgk h ARG 42 Ca 0.16 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1dgk h ARG 42 Cb 0.49 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1dgk h ARG 42 CO 0.02 0.77 -0.08 0.35 -1.07 0.00 0.00 179.97 179.96 1dgk h PHE 43 N 0.65 0.35 -0.59 3.04 3.57 -0.22 -1.54 116.94 122.21 1dgk h PHE 43 Ca 0.15 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1dgk h PHE 43 Cb 0.35 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1dgk h PHE 43 CO 0.02 0.42 0.35 -0.09 -2.23 0.00 0.00 178.31 176.79 1dgk h ARG 44 N 0.32 0.81 -0.18 1.11 2.43 -0.62 -1.00 114.38 117.25 1dgk h ARG 44 Ca 0.07 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1dgk h ARG 44 Cb 0.35 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1dgk h ARG 44 CO 0.02 0.58 0.01 -0.22 -1.51 0.00 0.00 179.97 178.85 1dgk h LYS 45 N 0.80 0.32 -0.52 0.20 3.64 -0.90 -2.70 116.57 117.40 1dgk h LYS 45 Ca 0.21 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1dgk h LYS 45 Cb -0.01 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1dgk h LYS 45 CO -0.04 0.51 0.29 0.93 -2.27 0.00 0.00 179.45 178.87 1dgk h GLU 46 N 0.08 0.70 -0.39 1.90 4.39 -0.75 -1.10 114.58 119.41 1dgk h GLU 46 Ca 0.05 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1dgk h GLU 46 Cb 0.36 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1dgk h GLU 46 CO 0.01 0.51 0.21 0.52 -1.16 0.00 0.00 179.01 179.10 1dgk h MET 47 N 0.72 0.41 -0.85 2.33 2.86 -1.04 -0.63 114.93 118.72 1dgk h MET 47 Ca 0.19 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1dgk h MET 47 Cb 0.00 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 1dgk h MET 47 CO -0.03 0.27 0.41 -0.22 1.06 0.00 0.00 176.91 178.40 1dgk h LYS 48 N 0.42 1.23 -0.79 1.72 3.64 -1.09 -1.52 116.57 120.18 1dgk h LYS 48 Ca 0.16 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1dgk h LYS 48 Cb 0.05 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 1dgk h LYS 48 CO -0.10 0.95 0.39 -0.91 -2.27 0.00 0.00 179.45 177.50 1dgk h ASN 49 N 1.22 1.03 -0.45 4.20 2.35 -0.84 -2.12 115.58 120.98 1dgk h ASN 49 Ca 0.29 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1dgk h ASN 49 Cb 0.12 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 1dgk h ASN 49 CO -0.04 0.87 0.22 1.23 -1.65 0.00 0.00 177.43 178.07 1dgk h GLY 50 N 1.12 0.62 2.00 2.83 0.00 -0.66 -2.75 103.07 106.22 1dgk h GLY 50 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1dgk h GLY 50 CO -0.04 0.11 -0.05 1.41 0.00 0.00 0.00 176.54 177.97 1dgk h LEU 51 N 0.45 0.00 -9.77 3.11 3.38 -1.09 -3.41 115.31 107.98 1dgk h LEU 51 Ca 0.19 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.65 1dgk h LEU 51 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 1dgk h LEU 51 CO -0.14 0.05 0.51 -0.55 0.09 0.00 0.00 178.44 178.41 1dgk s SER 52 N -6.10 7.17 0.47 -0.43 0.15 -0.82 -3.04 113.70 111.11 1dgk s SER 52 Ca 0.05 2.29 0.25 0.00 0.70 0.00 0.00 55.95 59.24 1dgk s SER 52 Cb 0.06 -2.62 1.12 0.00 -1.71 0.00 0.00 66.02 62.88 1dgk s SER 52 CO 0.64 -0.24 1.92 0.08 1.20 0.00 0.00 173.24 176.84 1dgk h ARG 53 N 4.20 0.00 0.18 5.44 0.11 -1.89 -0.39 114.38 122.03 1dgk h ARG 53 Ca -0.46 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.37 1dgk h ARG 53 Cb 1.21 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.32 1dgk h ARG 53 CO 0.69 0.19 -1.13 -0.44 0.10 0.00 0.00 179.97 179.38 1dgk h ASP 54 N 0.00 0.61 0.15 0.08 3.32 -1.92 -3.36 116.42 115.30 1dgk h ASP 54 Ca -0.00 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.11 1dgk h ASP 54 Cb 0.59 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1dgk h ASP 54 CO 0.02 1.54 -0.74 0.49 -1.72 0.00 0.00 179.24 178.83 1dgk n PHE 55 N -3.95 0.00 -0.23 4.55 3.72 -1.20 -4.50 117.46 115.85 1dgk n PHE 55 Ca -0.16 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.27 1dgk n PHE 55 Cb 0.94 -0.08 0.15 0.00 -0.94 0.00 0.00 39.48 39.55 1dgk n PHE 55 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1dgk h ASN 56 N 0.40 0.01 -0.05 4.37 -0.73 -0.96 0.17 115.58 118.79 1dgk h ASN 56 Ca 0.00 0.13 0.01 0.00 1.87 0.00 0.00 56.30 58.32 1dgk h ASN 56 Cb 0.53 0.18 -0.00 0.00 0.27 0.00 0.00 38.32 39.30 1dgk h ASN 56 CO 0.00 -0.01 0.10 -0.65 -0.37 0.00 0.00 177.43 176.50 1dgk h PRO 57 N 0.27 0.00 0.00 6.67 0.11 -1.83 -1.64 132.00 135.58 1dgk h PRO 57 Ca 0.37 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 1dgk h PRO 57 Cb 0.60 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.64 1dgk h PRO 57 CO -0.47 0.00 -0.45 0.25 -0.21 0.00 0.00 178.00 177.13 1dgk n THR 58 N -3.41 1.42 -3.25 -1.15 -2.24 0.50 -5.02 114.28 101.12 1dgk n THR 58 Ca -0.02 -2.11 -0.39 0.00 -2.27 0.00 0.00 64.05 59.27 1dgk n THR 58 Cb 0.19 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1dgk n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dgk s ALA 59 N -2.11 3.48 -0.04 6.98 0.00 -0.60 -4.97 121.76 124.50 1dgk s ALA 59 Ca 0.30 -0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.33 1dgk s ALA 59 Cb 0.30 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 1dgk s ALA 59 CO -0.05 0.11 1.33 1.79 0.00 0.00 0.00 175.76 178.95 1dgk h THR 60 N 4.36 1.18 -3.09 0.00 1.35 -1.89 -3.40 112.91 111.43 1dgk h THR 60 Ca -0.44 -2.70 -0.74 0.00 -0.55 0.00 0.00 66.41 61.98 1dgk h THR 60 Cb 1.19 2.58 -0.23 0.00 -1.73 0.00 0.00 68.15 69.96 1dgk h THR 60 CO 0.71 0.67 -0.15 -0.69 -0.25 0.00 0.00 175.52 175.82 1dgk s VAL 61 N -2.85 5.11 0.23 6.82 1.01 -1.26 -4.51 120.40 124.95 1dgk s VAL 61 Ca 0.02 -1.28 0.36 0.00 0.00 0.00 0.00 61.98 61.09 1dgk s VAL 61 Cb 0.09 -4.34 0.40 0.00 0.00 0.00 0.00 36.38 32.53 1dgk s VAL 61 CO 0.78 -0.88 2.08 0.11 0.00 0.00 0.00 175.10 177.19 1dgk h LYS 62 N 8.94 0.00 -6.99 2.72 1.57 -1.76 -3.32 116.57 117.72 1dgk h LYS 62 Ca -0.30 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.88 1dgk h LYS 62 Cb 1.10 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.34 1dgk h LYS 62 CO 1.02 0.00 -1.00 -1.33 -0.57 0.00 0.00 179.45 177.57 1dgk n MET 63 N -3.03 -0.41 -2.34 3.15 2.81 -1.09 -4.73 117.12 111.48 1dgk n MET 63 Ca -0.00 0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.54 1dgk n MET 63 Cb 0.23 -2.77 -0.03 0.00 -0.71 0.00 0.00 33.22 29.94 1dgk n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dgk s LEU 64 N -7.47 4.36 0.31 4.03 1.43 -0.46 -4.74 118.68 116.14 1dgk s LEU 64 Ca 0.37 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 55.28 1dgk s LEU 64 Cb -0.20 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.34 1dgk s LEU 64 CO 0.98 -0.55 1.36 -2.84 0.23 0.00 0.00 176.35 175.53 1dgk s PRO 65 N 1.27 4.31 -0.01 1.29 0.02 -1.26 -0.92 135.00 139.70 1dgk s PRO 65 Ca 0.61 2.27 0.13 0.00 0.02 0.00 0.00 61.00 64.02 1dgk s PRO 65 Cb -0.31 -3.08 -0.16 0.00 0.02 0.00 0.00 34.50 30.96 1dgk s PRO 65 CO 0.29 -0.29 0.42 0.25 -0.33 0.00 0.00 177.00 177.34 1dgk n THR 66 N 1.27 0.00 -1.62 0.99 -2.24 -1.05 -4.55 114.28 107.08 1dgk n THR 66 Ca 0.02 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1dgk n THR 66 Cb 0.41 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 1dgk n THR 66 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1dgk n PHE 67 N -1.59 -0.17 -3.71 4.78 3.01 -1.26 -4.73 117.46 113.79 1dgk n PHE 67 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 1dgk n PHE 67 Cb 0.26 -2.39 -0.12 0.00 -0.01 0.00 0.00 39.48 37.22 1dgk n PHE 67 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1dgk s VAL 68 N -2.50 3.93 -2.01 -4.37 1.01 -1.26 -4.80 120.40 110.39 1dgk s VAL 68 Ca 0.00 -1.19 0.21 0.00 0.00 0.00 0.00 61.98 61.00 1dgk s VAL 68 Cb 0.00 -3.28 0.48 0.00 0.00 0.00 0.00 36.38 33.59 1dgk s VAL 68 CO 0.00 -0.27 1.41 0.54 0.00 0.00 0.00 175.10 176.78 1dgk n ARG 69 N 4.84 2.56 -3.54 2.72 1.74 -1.26 -1.08 116.66 122.64 1dgk n ARG 69 Ca -0.11 -2.36 -0.13 0.00 -0.77 0.00 0.00 57.85 54.47 1dgk n ARG 69 Cb 0.44 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 1dgk n ARG 69 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1dgk s SER 70 N -1.20 -0.49 0.72 0.55 0.15 -1.26 -4.54 113.70 107.63 1dgk s SER 70 Ca 0.40 0.47 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 1dgk s SER 70 Cb 0.22 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1dgk s SER 70 CO 0.29 -0.50 1.09 0.27 1.20 0.00 0.00 173.24 175.60 1dgk s ILE 71 N -1.44 3.45 0.57 6.45 -4.36 -1.26 -4.96 121.20 119.64 1dgk s ILE 71 Ca -0.05 0.47 -0.20 0.00 -0.26 0.00 0.00 60.65 60.62 1dgk s ILE 71 Cb -0.00 -3.40 -0.06 0.00 1.25 0.00 0.00 42.46 40.25 1dgk s ILE 71 CO 0.03 -0.61 0.99 -2.65 0.24 0.00 0.00 174.94 172.93 1dgk n PRO 72 N -3.10 1.02 -0.00 0.37 -0.02 -1.26 -4.95 135.00 127.05 1dgk n PRO 72 Ca 0.07 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 1dgk n PRO 72 Cb 0.57 -2.16 0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1dgk n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1dgk n ASP 73 N -0.54 1.60 0.00 2.55 5.68 -1.26 -4.80 116.55 119.77 1dgk n ASP 73 Ca 0.13 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 1dgk n ASP 73 Cb 0.46 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1dgk n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dgk n GLY 74 N 0.38 1.28 0.29 6.12 0.00 -1.26 -4.91 105.19 107.09 1dgk n GLY 74 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1dgk n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dgk n SER 75 N 0.00 0.92 -4.75 1.61 3.41 -1.26 -4.88 113.62 108.67 1dgk n SER 75 Ca 0.00 -1.28 -0.40 0.00 -0.26 0.00 0.00 58.87 56.93 1dgk n SER 75 Cb 0.00 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1dgk n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1dgk s GLU 76 N -2.03 4.61 -0.25 4.33 8.01 -1.26 -5.02 118.70 127.10 1dgk s GLU 76 Ca 0.41 1.81 -0.26 0.00 0.01 0.00 0.00 54.97 56.94 1dgk s GLU 76 Cb 0.21 -3.21 0.07 0.00 -4.31 0.00 0.00 34.13 26.90 1dgk s GLU 76 CO 0.36 0.15 0.74 -1.59 0.01 0.00 0.00 175.26 174.93 1dgk s LYS 77 N -1.16 0.84 0.00 1.61 -2.85 -1.26 -4.54 119.74 112.38 1dgk s LYS 77 Ca 0.46 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 56.32 1dgk s LYS 77 Cb -0.32 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 1dgk s LYS 77 CO 0.40 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.14 1dgk n GLY 78 N 2.46 -1.27 2.70 0.59 0.00 -0.64 -4.95 105.19 104.08 1dgk n GLY 78 Ca -0.14 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 1dgk n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dgk s ASP 79 N -3.70 2.88 0.32 1.61 2.15 -1.26 -1.33 116.67 117.34 1dgk s ASP 79 Ca 0.00 -0.84 0.10 0.00 0.43 0.00 0.00 52.55 52.24 1dgk s ASP 79 Cb 0.00 -0.53 -0.06 0.00 -0.30 0.00 0.00 42.92 42.04 1dgk s ASP 79 CO 0.00 -0.33 -0.11 -0.36 -0.17 0.00 0.00 175.17 174.21 1dgk s PHE 80 N 1.91 2.40 -0.09 -5.34 0.40 0.20 -4.25 117.98 113.22 1dgk s PHE 80 Ca 0.01 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1dgk s PHE 80 Cb -0.17 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 1dgk s PHE 80 CO -0.10 0.61 -0.14 0.42 0.70 0.00 0.00 175.22 176.71 1dgk s ILE 81 N -2.56 3.06 -0.08 0.64 1.01 -0.80 -0.62 121.20 121.85 1dgk s ILE 81 Ca 0.32 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1dgk s ILE 81 Cb -0.00 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.24 1dgk s ILE 81 CO 0.17 0.56 -0.16 0.00 0.00 0.00 0.00 174.94 175.51 1dgk s ALA 82 N -0.23 1.58 0.19 9.38 0.00 0.55 -0.67 121.76 132.56 1dgk s ALA 82 Ca 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1dgk s ALA 82 Cb -0.13 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1dgk s ALA 82 CO 0.03 0.13 0.39 -0.51 0.00 0.00 0.00 175.76 175.80 1dgk s LEU 83 N 0.63 4.23 -0.29 0.00 1.43 0.29 -0.72 118.68 124.25 1dgk s LEU 83 Ca -0.14 0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1dgk s LEU 83 Cb -0.16 -3.18 0.12 0.00 0.03 0.00 0.00 46.19 43.00 1dgk s LEU 83 CO 0.04 -0.03 0.23 -0.62 0.23 0.00 0.00 176.35 176.20 1dgk s ASP 84 N -3.10 2.45 -0.06 2.29 3.68 -0.10 -1.29 116.67 120.53 1dgk s ASP 84 Ca 0.39 -1.03 0.04 0.00 2.13 0.00 0.00 52.55 54.08 1dgk s ASP 84 Cb -0.11 0.14 0.00 0.00 -1.45 0.00 0.00 42.92 41.50 1dgk s ASP 84 CO 0.29 -0.40 -0.17 -0.22 0.13 0.00 0.00 175.17 174.79 1dgk s LEU 85 N 2.20 1.86 0.00 -1.34 2.96 -0.21 -1.30 118.68 122.85 1dgk s LEU 85 Ca 0.10 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1dgk s LEU 85 Cb -0.15 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1dgk s LEU 85 CO -0.33 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1dgk n GLY 86 N 3.44 1.35 0.00 7.98 0.00 -1.26 -1.95 105.19 114.76 1dgk n GLY 86 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1dgk n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dgk n GLY 87 N 0.00 0.22 0.22 -0.02 0.00 -1.26 -4.89 105.19 99.46 1dgk n GLY 87 Ca 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.35 1dgk n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dgk h SER 88 N 0.00 0.00 -4.13 1.61 4.64 -1.99 -3.44 113.55 110.24 1dgk h SER 88 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1dgk h SER 88 Cb 0.00 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 1dgk h SER 88 CO 0.00 0.27 -0.77 -0.44 -0.87 0.00 0.00 176.83 175.02 1dgk s SER 89 N -6.38 0.99 -0.37 4.97 0.01 -1.26 -5.10 113.70 106.57 1dgk s SER 89 Ca -0.01 -0.23 -0.26 0.00 1.31 0.00 0.00 55.95 56.76 1dgk s SER 89 Cb 0.12 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1dgk s SER 89 CO 0.65 0.05 0.92 0.12 0.41 0.00 0.00 173.24 175.39 1dgk s PHE 90 N -0.42 3.08 0.16 2.43 5.99 -1.26 -4.70 117.98 123.27 1dgk s PHE 90 Ca 0.01 0.76 0.10 0.00 0.00 0.00 0.00 56.93 57.80 1dgk s PHE 90 Cb -0.05 -3.63 -0.04 0.00 0.00 0.00 0.00 43.02 39.30 1dgk s PHE 90 CO -0.00 -0.82 -0.19 1.03 -0.00 0.00 0.00 175.22 175.24 1dgk s ARG 91 N 3.45 1.71 -0.06 10.12 0.52 -0.42 -1.18 118.95 133.10 1dgk s ARG 91 Ca 0.38 -1.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.26 1dgk s ARG 91 Cb -0.12 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.36 1dgk s ARG 91 CO 0.19 0.43 -0.13 0.42 0.02 0.00 0.00 175.30 176.23 1dgk s ILE 92 N -1.48 1.14 0.09 1.52 1.01 -0.69 -0.93 121.20 121.86 1dgk s ILE 92 Ca 0.20 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1dgk s ILE 92 Cb -0.09 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1dgk s ILE 92 CO 0.11 0.35 -0.09 -0.76 0.00 0.00 0.00 174.94 174.55 1dgk s LEU 93 N 0.52 2.39 -0.20 2.97 1.02 0.10 -1.37 118.68 124.12 1dgk s LEU 93 Ca -0.12 -0.79 -0.01 0.00 0.02 0.00 0.00 54.13 53.23 1dgk s LEU 93 Cb -0.14 -0.25 0.01 0.00 0.02 0.00 0.00 46.19 45.82 1dgk s LEU 93 CO 0.03 -0.28 -0.14 -0.60 0.02 0.00 0.00 176.35 175.39 1dgk s ARG 94 N -2.72 3.14 -0.14 1.70 3.52 -0.63 -0.33 118.95 123.49 1dgk s ARG 94 Ca 0.04 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 1dgk s ARG 94 Cb -0.03 -2.74 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1dgk s ARG 94 CO -0.01 -0.20 -0.12 0.08 -0.81 0.00 0.00 175.30 174.24 1dgk s VAL 95 N 1.35 1.42 -0.15 7.11 1.01 0.21 -2.22 120.40 129.13 1dgk s VAL 95 Ca 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1dgk s VAL 95 Cb -0.14 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1dgk s VAL 95 CO -0.09 0.43 0.01 -1.10 0.00 0.00 0.00 175.10 174.35 1dgk s GLN 96 N 1.55 3.69 -0.10 2.72 -0.21 -0.06 -0.63 119.66 126.61 1dgk s GLN 96 Ca 0.05 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.01 1dgk s GLN 96 Cb -0.13 -3.02 0.02 0.00 1.00 0.00 0.00 33.01 30.88 1dgk s GLN 96 CO -0.10 0.34 -0.10 0.14 -2.12 0.00 0.00 175.29 173.45 1dgk s VAL 97 N 0.14 1.10 -1.78 1.09 -7.23 -0.44 -0.57 120.40 112.71 1dgk s VAL 97 Ca 0.02 -0.37 -0.20 0.00 -1.81 0.00 0.00 61.98 59.61 1dgk s VAL 97 Cb -0.13 -1.08 0.19 0.00 0.56 0.00 0.00 36.38 35.92 1dgk s VAL 97 CO 0.02 0.37 0.67 0.59 -0.31 0.00 0.00 175.10 176.44 1dgk n ASN 98 N 4.58 -2.43 0.04 4.85 5.03 0.31 -1.61 115.26 126.02 1dgk n ASN 98 Ca -0.16 -1.13 0.13 0.00 0.87 0.00 0.00 54.58 54.29 1dgk n ASN 98 Cb 0.51 -2.19 0.34 0.00 -1.02 0.00 0.00 39.78 37.41 1dgk n ASN 98 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1dgk n HIS 99 N -4.24 0.37 -3.75 3.10 -0.00 -1.26 -4.73 115.22 104.71 1dgk n HIS 99 Ca 0.08 0.11 -0.13 0.00 0.46 0.00 0.00 57.72 58.23 1dgk n HIS 99 Cb 0.48 -0.58 -0.09 0.00 -0.12 0.00 0.00 29.99 29.68 1dgk n HIS 99 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1dgk s GLU 100 N -3.08 0.59 0.41 1.57 2.12 -1.26 -5.06 118.70 113.99 1dgk s GLU 100 Ca 0.10 0.08 -0.27 0.00 0.36 0.00 0.00 54.97 55.25 1dgk s GLU 100 Cb 0.15 0.27 -0.09 0.00 0.26 0.00 0.00 34.13 34.72 1dgk s GLU 100 CO 0.65 -0.14 1.42 0.21 -0.54 0.00 0.00 175.26 176.86 1dgk s LYS 101 N -0.75 3.93 -1.09 4.30 2.20 -1.26 -3.16 119.74 123.91 1dgk s LYS 101 Ca -0.08 2.42 -0.07 0.00 -0.36 0.00 0.00 55.97 57.88 1dgk s LYS 101 Cb -0.04 -2.82 0.01 0.00 -1.51 0.00 0.00 37.83 33.47 1dgk s LYS 101 CO 0.03 -0.62 0.95 -1.71 -0.36 0.00 0.00 175.35 173.64 1dgk n ASN 102 N 0.17 -5.45 -3.17 1.43 4.05 -1.26 -4.97 115.26 106.05 1dgk n ASN 102 Ca 0.03 -0.43 0.02 0.00 0.45 0.00 0.00 54.58 54.65 1dgk n ASN 102 Cb 0.41 -4.14 -0.01 0.00 1.23 0.00 0.00 39.78 37.27 1dgk n ASN 102 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1dgk s GLN 103 N -6.04 0.57 0.00 1.20 0.74 -1.19 -5.05 119.66 109.90 1dgk s GLN 103 Ca 0.46 0.42 0.00 0.00 0.05 0.00 0.00 55.36 56.29 1dgk s GLN 103 Cb -0.20 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.08 1dgk s GLN 103 CO 0.59 -1.06 0.77 0.09 -0.55 0.00 0.00 175.29 175.13 1dgk n ASN 104 N 5.31 0.00 -4.50 6.67 3.02 -1.26 -3.66 115.26 120.83 1dgk n ASN 104 Ca 0.05 0.77 -0.28 0.00 -0.03 0.00 0.00 54.58 55.10 1dgk n ASN 104 Cb 0.54 -0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 39.33 1dgk n ASN 104 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dgk s VAL 105 N -2.09 2.84 -0.04 2.41 1.01 -1.26 0.11 120.40 123.38 1dgk s VAL 105 Ca 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 61.98 60.28 1dgk s VAL 105 Cb 0.00 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1dgk s VAL 105 CO 0.00 -0.04 -0.02 -2.28 0.00 0.00 0.00 175.10 172.76 1dgk s HIS 106 N -1.50 0.58 0.09 5.22 2.46 0.26 -4.98 115.29 117.42 1dgk s HIS 106 Ca 0.21 -0.12 0.06 0.00 0.47 0.00 0.00 55.06 55.68 1dgk s HIS 106 Cb -0.09 -0.58 -0.03 0.00 -0.13 0.00 0.00 32.58 31.75 1dgk s HIS 106 CO 0.12 -0.18 -0.17 -1.64 -2.47 0.00 0.00 174.74 170.40 1dgk s MET 107 N 1.05 0.96 0.01 2.88 -1.94 -1.26 -0.88 119.30 120.11 1dgk s MET 107 Ca -0.09 -1.06 -0.00 0.00 -1.71 0.00 0.00 55.69 52.83 1dgk s MET 107 Cb -0.14 -1.07 -0.01 0.00 2.01 0.00 0.00 34.83 35.63 1dgk s MET 107 CO -0.01 0.24 -0.00 -1.83 -0.01 0.00 0.00 175.02 173.41 1dgk s GLU 108 N -1.86 0.14 0.14 2.03 -1.05 -0.94 -5.00 118.70 112.16 1dgk s GLU 108 Ca 0.02 -0.24 -0.04 0.00 -0.15 0.00 0.00 54.97 54.56 1dgk s GLU 108 Cb -0.10 0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.62 1dgk s GLU 108 CO 0.03 -0.02 0.14 -1.54 0.95 0.00 0.00 175.26 174.82 1dgk s SER 109 N -0.60 0.21 -0.08 0.83 1.04 -1.26 -1.60 113.70 112.24 1dgk s SER 109 Ca -0.07 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.27 1dgk s SER 109 Cb -0.04 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.45 1dgk s SER 109 CO -0.00 -0.78 0.20 -0.70 0.98 0.00 0.00 173.24 172.93 1dgk s GLU 110 N -4.00 0.19 -0.07 4.02 2.12 -0.47 -4.99 118.70 115.50 1dgk s GLU 110 Ca 0.19 0.37 -0.13 0.00 0.36 0.00 0.00 54.97 55.77 1dgk s GLU 110 Cb 0.06 -0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 1dgk s GLU 110 CO -0.00 -0.10 0.32 0.08 -0.54 0.00 0.00 175.26 175.02 1dgk s VAL 111 N 0.70 5.21 -0.17 3.70 1.01 -1.26 -1.70 120.40 127.90 1dgk s VAL 111 Ca -0.05 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 1dgk s VAL 111 Cb -0.06 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1dgk s VAL 111 CO -0.04 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.19 1dgk s TYR 112 N -0.62 2.88 0.14 5.22 1.51 -0.33 -5.02 117.35 121.13 1dgk s TYR 112 Ca 0.20 -0.76 -0.31 0.00 -1.01 0.00 0.00 57.07 55.19 1dgk s TYR 112 Cb -0.15 -1.95 -0.09 0.00 -0.11 0.00 0.00 41.96 39.66 1dgk s TYR 112 CO 0.09 -0.34 1.54 0.34 -1.11 0.00 0.00 175.55 176.07 1dgk s ASP 113 N 0.78 6.65 -0.47 2.29 2.15 -1.26 -4.28 116.67 122.52 1dgk s ASP 113 Ca -0.04 2.52 0.03 0.00 0.43 0.00 0.00 52.55 55.50 1dgk s ASP 113 Cb -0.15 -2.59 0.16 0.00 -0.30 0.00 0.00 42.92 40.04 1dgk s ASP 113 CO 0.01 -0.79 0.34 -0.89 -0.17 0.00 0.00 175.17 173.67 1dgk s THR 114 N 1.39 0.98 0.96 1.71 2.01 -1.26 -5.09 115.64 116.34 1dgk s THR 114 Ca 0.69 -2.83 -0.11 0.00 0.31 0.00 0.00 61.69 59.76 1dgk s THR 114 Cb -0.41 -1.67 0.17 0.00 0.01 0.00 0.00 72.50 70.59 1dgk s THR 114 CO 0.31 -1.11 1.12 -2.16 -0.69 0.00 0.00 174.62 172.09 1dgk s PRO 115 N -0.06 0.65 0.34 4.92 0.04 -1.26 -4.78 135.00 134.84 1dgk s PRO 115 Ca 0.27 1.40 0.11 0.00 0.04 0.00 0.00 61.00 62.81 1dgk s PRO 115 Cb -0.06 -1.70 0.89 0.00 0.04 0.00 0.00 34.50 33.68 1dgk s PRO 115 CO -0.13 -2.84 1.77 1.49 0.04 0.00 0.00 177.00 177.33 1dgk h GLU 116 N -2.01 0.59 -0.21 4.56 4.81 -2.00 -1.83 114.58 118.49 1dgk h GLU 116 Ca -0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1dgk h GLU 116 Cb 1.28 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1dgk h GLU 116 CO 0.44 0.39 0.01 -2.95 -0.73 0.00 0.00 179.01 176.16 1dgk h ASN 117 N 0.60 0.27 -0.11 1.04 7.08 -1.96 0.10 115.58 122.60 1dgk h ASN 117 Ca 0.59 -0.03 -0.22 0.00 -3.08 0.00 0.00 56.30 53.56 1dgk h ASN 117 Cb 1.14 -0.07 0.01 0.00 -2.08 0.00 0.00 38.32 37.32 1dgk h ASN 117 CO -0.37 0.32 -0.75 0.40 -2.08 0.00 0.00 177.43 174.94 1dgk h ILE 118 N 0.29 1.29 0.00 6.14 1.08 -1.67 -1.27 117.51 123.37 1dgk h ILE 118 Ca 0.07 -1.97 -0.13 0.00 -0.39 0.00 0.00 64.86 62.45 1dgk h ILE 118 Cb 0.19 1.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 1dgk h ILE 118 CO 0.00 0.62 -0.60 0.58 -0.69 0.00 0.00 178.15 178.07 1dgk h VAL 119 N 0.53 1.21 -0.02 1.67 2.07 -1.31 -3.18 116.25 117.23 1dgk h VAL 119 Ca -0.04 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1dgk h VAL 119 Cb 1.38 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1dgk h VAL 119 CO 0.15 0.59 -0.41 1.41 0.02 0.00 0.00 177.57 179.33 1dgk n HIS 120 N -3.52 0.00 -0.07 1.57 8.25 0.29 -1.33 115.22 120.41 1dgk n HIS 120 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1dgk n HIS 120 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 1dgk n HIS 120 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dgk n GLY 121 N 1.35 1.17 3.89 -1.41 0.00 -0.48 -4.60 105.19 105.11 1dgk n GLY 121 Ca 0.09 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 1dgk n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dgk s SER 122 N -1.00 6.47 0.20 1.61 1.04 -1.26 -1.39 113.70 119.37 1dgk s SER 122 Ca 0.00 0.91 -0.10 0.00 0.48 0.00 0.00 55.95 57.24 1dgk s SER 122 Cb 0.00 -2.23 0.21 0.00 0.10 0.00 0.00 66.02 64.10 1dgk s SER 122 CO 0.00 -0.31 1.80 1.23 0.98 0.00 0.00 173.24 176.94 1dgk h GLY 123 N 1.40 0.89 0.66 7.32 0.00 -1.14 0.11 103.07 112.30 1dgk h GLY 123 Ca -0.47 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 46.69 1dgk h GLY 123 CO 0.65 0.13 0.31 1.76 0.00 0.00 0.00 176.54 179.39 1dgk h SER 124 N 0.61 0.44 -0.61 0.19 0.02 -1.93 0.18 113.55 112.46 1dgk h SER 124 Ca 0.28 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.19 1dgk h SER 124 Cb 0.18 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1dgk h SER 124 CO -0.18 0.29 0.10 -0.61 -1.14 0.00 0.00 176.83 175.29 1dgk h GLN 125 N 0.58 1.01 0.61 3.45 4.15 -1.60 0.29 115.11 123.60 1dgk h GLN 125 Ca 0.27 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1dgk h GLN 125 Cb 0.20 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.77 1dgk h GLN 125 CO -0.19 0.94 -0.29 1.25 -1.93 0.00 0.00 178.83 178.61 1dgk h LEU 126 N 0.91 -0.70 -1.29 -2.39 5.85 0.03 -1.60 115.31 116.13 1dgk h LEU 126 Ca 0.19 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1dgk h LEU 126 Cb 0.42 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1dgk h LEU 126 CO 0.01 -0.48 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.20 1dgk h PHE 127 N -0.85 0.00 -0.55 1.25 -1.00 -0.56 -0.87 116.94 114.37 1dgk h PHE 127 Ca -0.08 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.60 1dgk h PHE 127 Cb 0.64 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 1dgk h PHE 127 CO -0.03 0.17 -0.02 -0.44 -1.61 0.00 0.00 178.31 176.39 1dgk h ASP 128 N 0.00 0.97 -0.75 2.17 3.32 -0.27 -0.89 116.42 120.96 1dgk h ASP 128 Ca -0.00 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 1dgk h ASP 128 Cb 0.65 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1dgk h ASP 128 CO 0.02 1.05 0.28 -0.74 -1.72 0.00 0.00 179.24 178.13 1dgk h HIS 129 N 0.86 1.17 -0.56 4.55 2.76 -0.18 -0.31 115.15 123.44 1dgk h HIS 129 Ca 0.15 -0.10 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 1dgk h HIS 129 Cb 0.56 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1dgk h HIS 129 CO 0.04 0.90 -0.03 0.28 -1.30 0.00 0.00 177.93 177.82 1dgk h VAL 130 N 1.10 1.27 -0.58 5.26 2.07 -1.07 -1.88 116.25 122.41 1dgk h VAL 130 Ca 0.25 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1dgk h VAL 130 Cb 0.24 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1dgk h VAL 130 CO -0.02 0.41 0.13 0.00 0.02 0.00 0.00 177.57 178.11 1dgk h ALA 131 N 0.95 1.12 -0.03 1.67 0.00 -0.59 -1.33 119.26 121.06 1dgk h ALA 131 Ca 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dgk h ALA 131 Cb 0.58 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dgk h ALA 131 CO 0.03 0.58 0.01 1.49 0.00 0.00 0.00 179.25 181.37 1dgk h GLU 132 N 0.87 0.05 -0.34 0.00 4.81 -0.95 0.09 114.58 119.11 1dgk h GLU 132 Ca 0.19 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1dgk h GLU 132 Cb 0.34 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1dgk h GLU 132 CO 0.00 0.28 -0.09 0.00 -0.73 0.00 0.00 179.01 178.47 1dgk h LEU 134 N 0.54 1.05 0.28 0.00 5.85 -1.13 0.13 115.31 122.03 1dgk h LEU 134 Ca 0.10 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1dgk h LEU 134 Cb 0.47 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1dgk h LEU 134 CO 0.03 1.04 -0.14 1.23 -0.34 0.00 0.00 178.44 180.26 1dgk h GLY 135 N 1.05 -0.39 0.44 3.75 0.00 -0.14 -0.75 103.07 107.03 1dgk h GLY 135 Ca 0.20 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.77 1dgk h GLY 135 CO 0.01 -0.14 0.26 -1.80 0.00 0.00 0.00 176.54 174.87 1dgk h ASP 136 N -0.45 0.30 -0.38 0.19 1.82 -0.71 0.24 116.42 117.43 1dgk h ASP 136 Ca -0.04 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1dgk h ASP 136 Cb 0.34 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 1dgk h ASP 136 CO 0.06 0.18 0.17 0.15 -1.61 0.00 0.00 179.24 178.20 1dgk h PHE 137 N 0.47 0.32 -0.28 0.28 3.57 -0.53 -1.43 116.94 119.33 1dgk h PHE 137 Ca 0.31 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.66 1dgk h PHE 137 Cb 0.35 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1dgk h PHE 137 CO -0.14 0.16 -0.48 0.52 -2.23 0.00 0.00 178.31 176.13 1dgk h MET 138 N 0.36 0.77 0.19 1.11 2.86 -0.38 -2.96 114.93 116.88 1dgk h MET 138 Ca 0.17 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1dgk h MET 138 Cb 0.10 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1dgk h MET 138 CO -0.13 1.07 -0.22 1.49 1.06 0.00 0.00 176.91 180.18 1dgk h GLU 139 N 0.61 -0.41 -1.00 1.72 4.81 -0.39 0.12 114.58 120.04 1dgk h GLU 139 Ca 0.03 0.03 0.30 0.00 -0.13 0.00 0.00 59.36 59.58 1dgk h GLU 139 Cb 1.05 0.09 -0.14 0.00 0.63 0.00 0.00 28.75 30.38 1dgk h GLU 139 CO 0.10 -0.27 0.57 0.87 -0.73 0.00 0.00 179.01 179.55 1dgk h LYS 140 N -0.42 0.39 -0.22 1.92 1.57 -1.35 0.44 116.57 118.89 1dgk h LYS 140 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1dgk h LYS 140 Cb 0.37 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1dgk h LYS 140 CO -0.04 0.26 0.00 0.54 -0.57 0.00 0.00 179.45 179.63 1dgk n ARG 141 N -5.01 2.27 -3.77 3.15 1.74 -1.01 -4.97 116.66 109.07 1dgk n ARG 141 Ca 0.30 -1.89 -0.25 0.00 -0.77 0.00 0.00 57.85 55.24 1dgk n ARG 141 Cb 0.90 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.88 1dgk n ARG 141 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1dgk n LYS 142 N 1.17 -3.45 -0.05 5.56 4.01 0.36 -4.89 118.16 120.87 1dgk n LYS 142 Ca 0.17 0.52 0.05 0.00 -0.51 0.00 0.00 58.31 58.54 1dgk n LYS 142 Cb 0.54 -4.75 0.07 0.00 -0.51 0.00 0.00 35.03 30.39 1dgk n LYS 142 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1dgk n ILE 143 N -4.26 1.44 0.26 -0.18 -5.35 -0.75 -4.77 119.36 105.74 1dgk n ILE 143 Ca -0.25 -1.60 0.18 0.00 -0.27 0.00 0.00 62.75 60.81 1dgk n ILE 143 Cb 0.66 0.15 0.90 0.00 -1.74 0.00 0.00 39.64 39.61 1dgk n ILE 143 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1dgk h LYS 144 N 0.10 0.00 -0.27 6.28 1.57 -1.91 -1.97 116.57 120.37 1dgk h LYS 144 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dgk h LYS 144 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1dgk h LYS 144 CO 0.01 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 1dgk n ASP 145 N -3.43 2.75 0.13 0.86 8.00 -1.26 -4.59 116.55 119.01 1dgk n ASP 145 Ca 0.00 -1.84 0.13 0.00 0.71 0.00 0.00 54.79 53.79 1dgk n ASP 145 Cb 0.30 -0.18 0.37 0.00 -0.02 0.00 0.00 41.12 41.59 1dgk n ASP 145 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dgk h LYS 146 N 2.48 0.00 -4.98 -1.24 1.79 -1.70 -3.47 116.57 109.45 1dgk h LYS 146 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 1dgk h LYS 146 Cb 0.70 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.47 1dgk h LYS 146 CO 0.00 0.00 -0.58 1.63 -1.08 0.00 0.00 179.45 179.42 1dgk n LYS 147 N -2.45 -6.22 -2.51 3.15 5.02 -1.26 -4.94 118.16 108.94 1dgk n LYS 147 Ca 0.05 0.68 -0.43 0.00 -2.02 0.00 0.00 58.31 56.60 1dgk n LYS 147 Cb 0.44 -5.27 -0.02 0.00 -0.02 0.00 0.00 35.03 30.16 1dgk n LYS 147 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dgk s LEU 148 N -5.99 4.06 0.27 -0.35 1.43 -1.26 -4.97 118.68 111.86 1dgk s LEU 148 Ca 0.34 1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 1dgk s LEU 148 Cb -0.15 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.40 1dgk s LEU 148 CO 0.60 -0.82 1.26 -2.65 0.23 0.00 0.00 176.35 174.96 1dgk n PRO 149 N 6.73 1.81 -4.11 1.29 -0.02 -1.26 -4.59 135.00 134.85 1dgk n PRO 149 Ca 0.13 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 1dgk n PRO 149 Cb 0.46 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 1dgk n PRO 149 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dgk s VAL 150 N -0.59 4.77 -0.02 -1.45 1.01 0.18 -1.90 120.40 122.39 1dgk s VAL 150 Ca 0.63 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1dgk s VAL 150 Cb -0.66 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1dgk s VAL 150 CO 0.56 0.54 -0.04 -0.83 0.00 0.00 0.00 175.10 175.33 1dgk s GLY 151 N -0.34 1.79 -0.20 4.51 0.00 0.15 -1.19 107.32 112.05 1dgk s GLY 151 Ca 0.09 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.86 1dgk s GLY 151 CO 0.02 -0.80 -0.11 -0.12 0.00 0.00 0.00 173.10 172.09 1dgk s PHE 152 N -0.98 2.48 -0.35 1.90 5.99 0.58 -0.55 117.98 127.05 1dgk s PHE 152 Ca 0.17 -1.64 -0.19 0.00 0.00 0.00 0.00 56.93 55.26 1dgk s PHE 152 Cb -0.11 -1.66 -0.00 0.00 0.00 0.00 0.00 43.02 41.24 1dgk s PHE 152 CO 0.07 -0.75 0.56 0.99 -0.00 0.00 0.00 175.22 176.09 1dgk s THR 153 N 1.37 4.97 -0.37 0.12 2.01 -0.42 -0.47 115.64 122.86 1dgk s THR 153 Ca -0.02 0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.44 1dgk s THR 153 Cb -0.16 -4.01 0.11 0.00 0.01 0.00 0.00 72.50 68.45 1dgk s THR 153 CO -0.08 -0.25 0.15 0.12 -0.69 0.00 0.00 174.62 173.87 1dgk s PHE 154 N 2.52 2.04 -1.54 4.92 2.19 -0.51 -1.05 117.98 126.54 1dgk s PHE 154 Ca 0.21 -2.16 -0.12 0.00 0.33 0.00 0.00 56.93 55.19 1dgk s PHE 154 Cb -0.15 -1.92 -0.02 0.00 -1.31 0.00 0.00 43.02 39.62 1dgk s PHE 154 CO 0.14 -0.85 2.59 -1.13 1.83 0.00 0.00 175.22 177.80 1dgk n SER 155 N 4.25 6.28 -3.85 6.13 3.41 -0.82 -4.49 113.62 124.53 1dgk n SER 155 Ca 0.03 -2.71 -0.11 0.00 -0.26 0.00 0.00 58.87 55.82 1dgk n SER 155 Cb 0.39 -1.61 -0.09 0.00 -0.26 0.00 0.00 64.21 62.64 1dgk n SER 155 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1dgk s PHE 156 N 2.70 0.02 0.09 7.33 0.40 -1.26 -4.89 117.98 122.37 1dgk s PHE 156 Ca 0.58 -0.16 -0.31 0.00 -0.60 0.00 0.00 56.93 56.45 1dgk s PHE 156 Cb 0.16 -0.02 -0.09 0.00 0.51 0.00 0.00 43.02 43.57 1dgk s PHE 156 CO -0.08 -0.37 1.77 -1.25 0.70 0.00 0.00 175.22 175.99 1dgk s PRO 157 N -1.96 4.16 0.07 0.24 0.04 -1.26 -4.94 135.00 131.36 1dgk s PRO 157 Ca -0.10 2.48 0.06 0.00 0.04 0.00 0.00 61.00 63.48 1dgk s PRO 157 Cb -0.04 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 1dgk s PRO 157 CO -0.01 -0.81 -0.15 0.00 0.04 0.00 0.00 177.00 176.07 1dgk s GLN 159 N -1.72 3.88 -0.12 0.00 0.74 0.20 -4.85 119.66 117.79 1dgk s GLN 159 Ca -0.00 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.50 1dgk s GLN 159 Cb -0.10 -3.72 0.02 0.00 1.10 0.00 0.00 33.01 30.31 1dgk s GLN 159 CO 0.03 -0.46 -0.12 -0.65 -0.55 0.00 0.00 175.29 173.53 1dgk s GLN 160 N 2.32 1.97 -0.01 1.67 -0.21 -1.26 -1.24 119.66 122.89 1dgk s GLN 160 Ca 0.19 -0.45 0.21 0.00 0.02 0.00 0.00 55.36 55.33 1dgk s GLN 160 Cb -0.16 -1.80 -0.27 0.00 1.00 0.00 0.00 33.01 31.78 1dgk s GLN 160 CO 0.11 -0.17 0.69 -1.13 -2.12 0.00 0.00 175.29 172.67 1dgk n SER 161 N 4.55 0.63 -3.76 5.90 3.41 -1.26 -4.84 113.62 118.24 1dgk n SER 161 Ca -0.17 -0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 57.79 1dgk n SER 161 Cb 0.51 1.42 -0.05 0.00 -0.26 0.00 0.00 64.21 65.82 1dgk n SER 161 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1dgk s LYS 162 N -3.16 1.10 0.59 4.33 -2.85 -1.26 -5.04 119.74 113.45 1dgk s LYS 162 Ca 0.01 -0.88 0.29 0.00 -1.00 0.00 0.00 55.97 54.40 1dgk s LYS 162 Cb 0.15 0.44 1.76 0.00 -2.06 0.00 0.00 37.83 38.11 1dgk s LYS 162 CO 0.85 -0.42 2.19 0.97 0.10 0.00 0.00 175.35 179.04 1dgk h ILE 163 N 2.44 0.50 -0.50 3.79 6.09 -1.87 -2.39 117.51 125.57 1dgk h ILE 163 Ca -0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1dgk h ILE 163 Cb 1.24 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1dgk h ILE 163 CO 0.47 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.65 1dgk n ASP 164 N -3.82 5.27 -4.15 2.19 5.75 -1.26 -1.62 116.55 118.92 1dgk n ASP 164 Ca -0.01 -2.94 -0.24 0.00 -0.01 0.00 0.00 54.79 51.59 1dgk n ASP 164 Cb 0.18 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 39.47 1dgk n ASP 164 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1dgk s GLU 165 N -2.76 1.33 -0.36 0.11 2.12 -0.90 -4.82 118.70 113.41 1dgk s GLU 165 Ca 0.52 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.28 1dgk s GLU 165 Cb 0.40 -1.29 0.15 0.00 0.26 0.00 0.00 34.13 33.65 1dgk s GLU 165 CO 0.14 0.35 0.34 0.00 -0.54 0.00 0.00 175.26 175.55 1dgk s ALA 166 N -0.39 -0.12 -0.40 6.30 0.00 -1.26 -4.56 121.76 121.32 1dgk s ALA 166 Ca 0.06 -1.16 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 1dgk s ALA 166 Cb -0.06 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1dgk s ALA 166 CO -0.01 -2.12 0.93 0.42 0.00 0.00 0.00 175.76 174.98 1dgk s ILE 167 N 1.38 4.54 0.01 0.00 1.01 -0.37 -0.25 121.20 127.52 1dgk s ILE 167 Ca 0.17 1.05 -0.31 0.00 0.00 0.00 0.00 60.65 61.56 1dgk s ILE 167 Cb -0.17 -4.37 -0.10 0.00 0.01 0.00 0.00 42.46 37.83 1dgk s ILE 167 CO -0.03 -0.64 1.95 -0.11 0.00 0.00 0.00 174.94 176.11 1dgk n LEU 168 N 6.92 3.99 -0.06 2.97 7.94 -0.89 0.58 117.00 138.45 1dgk n LEU 168 Ca 0.07 0.92 -0.07 0.00 -1.11 0.00 0.00 56.01 55.82 1dgk n LEU 168 Cb 0.48 -1.49 -0.06 0.00 0.53 0.00 0.00 43.42 42.88 1dgk n LEU 168 CO 0.60 0.14 0.15 0.40 -1.11 0.00 0.00 177.39 177.58 1dgk h ILE 169 N 5.57 0.87 -2.66 1.96 2.04 -1.13 0.17 117.51 124.33 1dgk h ILE 169 Ca -0.50 -1.67 -0.11 0.00 1.00 0.00 0.00 64.86 63.59 1dgk h ILE 169 Cb 1.25 1.65 -0.23 0.00 -0.74 0.00 0.00 36.82 38.75 1dgk h ILE 169 CO 0.94 0.29 -0.18 -0.89 0.00 0.00 0.00 178.15 178.32 1dgk s THR 170 N -1.91 0.01 0.59 -0.27 2.01 -1.25 -4.54 115.64 110.27 1dgk s THR 170 Ca -0.10 -0.06 -0.16 0.00 0.31 0.00 0.00 61.69 61.68 1dgk s THR 170 Cb -0.01 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1dgk s THR 170 CO 0.35 -0.03 1.06 0.26 -0.69 0.00 0.00 174.62 175.57 1dgk s TRP 171 N -0.03 2.95 0.32 4.92 0.52 -1.26 -4.37 118.94 121.97 1dgk s TRP 171 Ca -0.02 1.52 0.01 0.00 0.02 0.00 0.00 56.10 57.63 1dgk s TRP 171 Cb -0.03 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1dgk s TRP 171 CO 0.02 -1.15 0.36 0.95 0.02 0.00 0.00 176.95 177.14 1dgk s THR 172 N -2.37 0.00 0.00 2.01 -4.23 -1.26 -5.04 115.64 104.75 1dgk s THR 172 Ca 0.65 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1dgk s THR 172 Cb -0.17 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1dgk s THR 172 CO 0.35 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.72 1dgk n LYS 173 N -0.54 0.00 0.03 3.99 5.02 -1.26 -3.00 118.16 122.40 1dgk n LYS 173 Ca 0.03 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.45 1dgk n LYS 173 Cb 0.62 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.93 1dgk n LYS 173 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1dgk n ARG 174 N 14.00 0.14 -2.89 1.97 1.74 -1.26 -4.85 116.66 125.50 1dgk n ARG 174 Ca 0.00 0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 1dgk n ARG 174 Cb 0.00 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.77 1dgk n ARG 174 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1dgk s PHE 175 N -3.07 3.63 -0.44 -1.55 0.40 -1.16 -4.77 117.98 111.02 1dgk s PHE 175 Ca 0.10 1.63 0.03 0.00 -0.60 0.00 0.00 56.93 58.09 1dgk s PHE 175 Cb 0.16 -2.81 0.25 0.00 0.51 0.00 0.00 43.02 41.12 1dgk s PHE 175 CO 0.67 0.21 1.00 1.17 0.70 0.00 0.00 175.22 178.97 1dgk n LYS 176 N 0.46 0.54 -3.81 0.44 4.81 -0.44 -4.27 118.16 115.89 1dgk n LYS 176 Ca 0.01 -1.40 -0.35 0.00 -0.87 0.00 0.00 58.31 55.71 1dgk n LYS 176 Cb 0.51 -1.04 -0.08 0.00 0.02 0.00 0.00 35.03 34.44 1dgk n LYS 176 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dgk s ALA 177 N 0.53 3.64 0.80 3.14 0.00 -1.22 -4.30 121.76 124.35 1dgk s ALA 177 Ca 0.30 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 1dgk s ALA 177 Cb 0.21 -2.09 0.08 0.00 0.00 0.00 0.00 23.12 21.31 1dgk s ALA 177 CO -0.18 0.20 1.14 -1.54 0.00 0.00 0.00 175.76 175.38 1dgk s SER 178 N 0.24 3.97 -1.38 0.00 1.04 -0.49 -3.68 113.70 113.41 1dgk s SER 178 Ca 0.08 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1dgk s SER 178 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1dgk s SER 178 CO -0.01 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.42 1dgk n GLY 179 N -0.32 1.34 0.14 7.32 0.00 -1.26 -0.68 105.19 111.74 1dgk n GLY 179 Ca 0.11 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1dgk n GLY 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dgk n VAL 180 N -2.66 0.70 -1.65 1.61 0.31 -1.24 -4.80 118.33 110.59 1dgk n VAL 180 Ca -0.13 -0.25 -0.47 0.00 -0.01 0.00 0.00 64.34 63.48 1dgk n VAL 180 Cb 0.44 -1.04 -0.04 0.00 -0.91 0.00 0.00 33.84 32.28 1dgk n VAL 180 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1dgk n GLU 181 N -2.96 1.87 -0.66 5.55 1.02 -1.26 -0.37 120.64 123.83 1dgk n GLU 181 Ca -0.22 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1dgk n GLU 181 Cb 0.72 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1dgk n GLU 181 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dgk n GLY 182 N 2.83 1.12 3.65 0.62 0.00 0.05 -4.96 105.19 108.49 1dgk n GLY 182 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1dgk n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgk s ALA 183 N -3.44 3.17 -0.24 4.61 0.00 0.51 -4.85 121.76 121.51 1dgk s ALA 183 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1dgk s ALA 183 Cb 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1dgk s ALA 183 CO 0.00 0.67 1.39 0.34 0.00 0.00 0.00 175.76 178.16 1dgk s ASP 184 N -2.09 6.66 0.43 0.00 3.68 -1.26 -2.10 116.67 121.98 1dgk s ASP 184 Ca 0.23 1.48 0.29 0.00 2.13 0.00 0.00 52.55 56.68 1dgk s ASP 184 Cb -0.11 -2.54 1.18 0.00 -1.45 0.00 0.00 42.92 40.00 1dgk s ASP 184 CO 0.15 -1.04 1.87 -0.37 0.13 0.00 0.00 175.17 175.90 1dgk h VAL 185 N 5.88 0.00 -0.28 1.11 -1.51 -0.97 -1.66 116.25 118.82 1dgk h VAL 185 Ca -0.29 -0.41 -0.04 0.00 -1.23 0.00 0.00 66.70 64.72 1dgk h VAL 185 Cb 1.12 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1dgk h VAL 185 CO 1.01 0.00 0.01 0.58 -1.23 0.00 0.00 177.57 177.93 1dgk h VAL 186 N 0.00 1.25 -0.27 7.19 2.07 -1.88 -0.74 116.25 123.87 1dgk h VAL 186 Ca 0.00 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1dgk h VAL 186 Cb 0.47 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1dgk h VAL 186 CO 0.00 0.29 0.10 0.11 0.02 0.00 0.00 177.57 178.09 1dgk h LYS 187 N 0.29 0.41 -0.80 1.57 1.57 -1.70 0.31 116.57 118.21 1dgk h LYS 187 Ca 0.08 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1dgk h LYS 187 Cb 0.41 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1dgk h LYS 187 CO 0.01 0.45 0.52 -0.07 -0.57 0.00 0.00 179.45 179.80 1dgk h LEU 188 N 0.28 0.89 -0.36 2.94 3.38 -1.25 0.14 115.31 121.33 1dgk h LEU 188 Ca 0.09 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1dgk h LEU 188 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1dgk h LEU 188 CO -0.01 0.64 -0.01 0.25 0.09 0.00 0.00 178.44 179.40 1dgk h LEU 189 N 1.06 0.64 -0.64 1.67 5.85 -0.92 -1.07 115.31 121.89 1dgk h LEU 189 Ca 0.30 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1dgk h LEU 189 Cb -0.08 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1dgk h LEU 189 CO -0.08 0.80 0.36 0.78 -0.34 0.00 0.00 178.44 179.96 1dgk h ASN 190 N 0.46 0.56 -0.51 1.25 2.35 0.18 -1.52 115.58 118.35 1dgk h ASN 190 Ca 0.10 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1dgk h ASN 190 Cb 0.48 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1dgk h ASN 190 CO 0.02 0.37 0.30 0.50 -1.65 0.00 0.00 177.43 176.98 1dgk h LYS 191 N 0.69 0.59 -0.40 0.81 3.64 -0.60 -1.14 116.57 120.15 1dgk h LYS 191 Ca 0.28 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1dgk h LYS 191 Cb 0.13 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1dgk h LYS 191 CO -0.15 0.39 -0.13 0.00 -2.27 0.00 0.00 179.45 177.29 1dgk h ALA 192 N 1.23 1.02 -0.17 5.00 0.00 -0.30 -1.72 119.26 124.32 1dgk h ALA 192 Ca 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1dgk h ALA 192 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1dgk h ALA 192 CO -0.09 0.59 0.02 0.82 0.00 0.00 0.00 179.25 180.58 1dgk h ILE 193 N 0.65 1.23 -0.18 0.00 2.04 -1.04 -2.46 117.51 117.75 1dgk h ILE 193 Ca 0.11 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1dgk h ILE 193 Cb 0.59 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1dgk h ILE 193 CO 0.04 0.23 -0.15 0.50 0.00 0.00 0.00 178.15 178.77 1dgk h LYS 194 N 0.07 -0.15 -0.98 2.37 3.64 -1.10 -0.46 116.57 119.96 1dgk h LYS 194 Ca 0.05 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.65 1dgk h LYS 194 Cb 0.33 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.07 1dgk h LYS 194 CO 0.01 -0.10 0.57 -0.22 -2.27 0.00 0.00 179.45 177.43 1dgk h LYS 195 N -0.16 0.63 -0.08 1.90 3.64 -1.20 0.22 116.57 121.52 1dgk h LYS 195 Ca 0.11 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1dgk h LYS 195 Cb 0.32 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1dgk h LYS 195 CO -0.28 0.42 -0.03 0.00 -2.27 0.00 0.00 179.45 177.29 1dgk h ARG 196 N 0.65 -0.01 0.00 1.90 2.47 -0.61 -3.46 114.38 115.32 1dgk h ARG 196 Ca 0.59 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.31 1dgk h ARG 196 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1dgk h ARG 196 CO -0.43 -0.01 0.00 0.41 0.56 0.00 0.00 179.97 180.50 1dgk n GLY 197 N -1.14 0.62 0.08 0.04 0.00 0.06 -4.90 105.19 99.94 1dgk n GLY 197 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1dgk n GLY 197 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1dgk h ASP 198 N 0.00 0.13 -4.97 1.61 -0.00 -1.85 -3.49 116.42 107.85 1dgk h ASP 198 Ca 0.00 -0.14 0.09 0.00 -0.00 0.00 0.00 57.03 56.98 1dgk h ASP 198 Cb 0.08 -0.04 -0.11 0.00 -0.00 0.00 0.00 39.33 39.26 1dgk h ASP 198 CO 0.00 1.11 0.39 -0.72 -0.00 0.00 0.00 179.24 180.02 1dgk s TYR 199 N -2.68 -0.31 0.04 0.28 -0.85 -1.26 -5.13 117.35 107.44 1dgk s TYR 199 Ca -0.01 0.06 0.01 0.00 -0.52 0.00 0.00 57.07 56.61 1dgk s TYR 199 Cb 0.09 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 1dgk s TYR 199 CO 0.84 -0.80 0.09 -0.51 -1.52 0.00 0.00 175.55 173.64 1dgk s ASP 200 N -2.74 5.63 -0.09 -0.18 1.01 -1.26 -4.84 116.67 114.20 1dgk s ASP 200 Ca 0.07 0.07 -0.04 0.00 0.71 0.00 0.00 52.55 53.37 1dgk s ASP 200 Cb -0.02 -1.57 0.05 0.00 1.01 0.00 0.00 42.92 42.39 1dgk s ASP 200 CO -0.04 0.22 0.19 0.00 0.21 0.00 0.00 175.17 175.74 1dgk s ALA 201 N -1.30 -0.34 -0.72 5.23 0.00 -1.26 -4.97 121.76 118.40 1dgk s ALA 201 Ca 0.27 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 1dgk s ALA 201 Cb -0.12 -0.67 0.18 0.00 0.00 0.00 0.00 23.12 22.51 1dgk s ALA 201 CO 0.19 -0.34 0.69 1.21 0.00 0.00 0.00 175.76 177.50 1dgk s ASN 202 N 1.66 6.54 -0.73 0.00 2.47 -1.26 -5.03 114.94 118.58 1dgk s ASN 202 Ca -0.05 -2.30 -0.27 0.00 0.42 0.00 0.00 52.86 50.66 1dgk s ASN 202 Cb -0.12 -2.22 0.03 0.00 -1.45 0.00 0.00 41.25 37.49 1dgk s ASN 202 CO -0.07 -0.72 1.33 -0.63 -3.72 0.00 0.00 177.10 173.30 1dgk s ILE 203 N 0.87 3.69 -1.93 -5.21 1.01 -1.26 -0.65 121.20 117.72 1dgk s ILE 203 Ca 0.13 0.39 0.24 0.00 0.00 0.00 0.00 60.65 61.40 1dgk s ILE 203 Cb -0.17 -4.84 0.07 0.00 0.01 0.00 0.00 42.46 37.53 1dgk s ILE 203 CO -0.04 -1.78 1.23 1.33 0.00 0.00 0.00 174.94 175.68 1dgk n VAL 204 N 6.45 0.00 -3.61 2.92 0.24 -0.33 -4.94 118.33 119.06 1dgk n VAL 204 Ca 0.05 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1dgk n VAL 204 Cb 0.49 0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 1dgk n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dgk s ALA 205 N -2.50 -1.84 -0.03 2.33 0.00 -1.23 -4.20 121.76 114.29 1dgk s ALA 205 Ca 0.20 1.87 0.06 0.00 0.00 0.00 0.00 51.96 54.09 1dgk s ALA 205 Cb 0.18 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1dgk s ALA 205 CO 0.56 -0.31 -0.21 0.08 0.00 0.00 0.00 175.76 175.88 1dgk s VAL 206 N 0.04 1.69 0.01 0.00 1.01 -0.64 -0.30 120.40 122.21 1dgk s VAL 206 Ca -0.01 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1dgk s VAL 206 Cb -0.04 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1dgk s VAL 206 CO 0.00 0.48 0.13 0.68 0.00 0.00 0.00 175.10 176.39 1dgk s VAL 207 N -0.26 0.09 0.65 2.92 -7.23 0.38 -4.89 120.40 112.06 1dgk s VAL 207 Ca 0.02 -0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 59.29 1dgk s VAL 207 Cb -0.11 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 1dgk s VAL 207 CO 0.01 -0.43 1.04 0.21 -0.31 0.00 0.00 175.10 175.63 1dgk s ASN 208 N -1.54 5.79 0.54 4.85 3.84 -1.26 -1.43 114.94 125.73 1dgk s ASN 208 Ca -0.13 1.58 0.32 0.00 0.21 0.00 0.00 52.86 54.84 1dgk s ASN 208 Cb -0.06 -2.49 1.49 0.00 -0.55 0.00 0.00 41.25 39.64 1dgk s ASN 208 CO 0.00 -1.17 2.05 -2.24 -2.79 0.00 0.00 177.10 172.95 1dgk h ASP 209 N -0.32 0.00 -0.42 -4.21 -0.00 -1.93 -1.94 116.42 107.60 1dgk h ASP 209 Ca -0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.50 1dgk h ASP 209 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.52 1dgk h ASP 209 CO 0.59 0.07 -0.06 0.71 -0.00 0.00 0.00 179.24 180.55 1dgk h THR 210 N 0.00 1.27 -0.48 1.15 1.35 -1.92 -1.65 112.91 112.63 1dgk h THR 210 Ca -0.00 -1.13 -0.12 0.00 -0.55 0.00 0.00 66.41 64.61 1dgk h THR 210 Cb 0.42 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1dgk h THR 210 CO 0.01 0.38 -0.16 0.58 -0.25 0.00 0.00 175.52 176.09 1dgk h VAL 211 N 0.62 1.27 -0.26 6.82 2.07 -1.71 -1.61 116.25 123.45 1dgk h VAL 211 Ca 0.11 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1dgk h VAL 211 Cb 0.57 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1dgk h VAL 211 CO 0.03 0.45 0.16 1.23 0.02 0.00 0.00 177.57 179.47 1dgk h GLY 212 N 0.80 0.37 0.67 2.17 0.00 -1.27 -0.97 103.07 104.84 1dgk h GLY 212 Ca 0.12 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.33 1dgk h GLY 212 CO 0.06 0.15 0.04 -0.84 0.00 0.00 0.00 176.54 175.94 1dgk h THR 213 N 0.33 0.86 -0.85 4.70 2.02 -1.19 0.24 112.91 119.02 1dgk h THR 213 Ca 0.09 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1dgk h THR 213 Cb -0.00 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1dgk h THR 213 CO -0.02 0.02 0.55 -0.03 0.37 0.00 0.00 175.52 176.41 1dgk h MET 214 N 0.13 1.03 -0.18 6.66 -1.53 -0.98 0.08 114.93 120.15 1dgk h MET 214 Ca 0.12 -0.06 -0.19 0.00 -3.44 0.00 0.00 59.70 56.14 1dgk h MET 214 Cb 0.14 -0.23 -0.00 0.00 -0.55 0.00 0.00 31.60 30.95 1dgk h MET 214 CO -0.17 0.68 -0.64 0.52 0.14 0.00 0.00 176.91 177.44 1dgk h MET 215 N 1.06 0.64 -0.12 0.39 2.86 -0.43 0.11 114.93 119.45 1dgk h MET 215 Ca 0.34 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1dgk h MET 215 Cb 0.02 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1dgk h MET 215 CO -0.12 1.08 0.07 1.15 1.06 0.00 0.00 176.91 180.15 1dgk h THR 216 N 0.47 1.06 0.00 2.22 2.02 -0.11 -1.57 112.91 117.00 1dgk h THR 216 Ca -0.01 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 1dgk h THR 216 Cb 1.22 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1dgk h THR 216 CO 0.13 0.05 -0.54 0.00 0.37 0.00 0.00 175.52 175.52 1dgk h GLY 218 N 2.17 0.00 1.25 0.00 0.00 -0.46 0.18 103.07 106.22 1dgk h GLY 218 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1dgk h GLY 218 CO 0.07 0.00 0.15 -1.82 0.00 0.00 0.00 176.54 174.94 1dgk h TYR 219 N 0.00 0.97 0.13 5.60 5.03 -1.14 -3.24 116.97 124.33 1dgk h TYR 219 Ca -0.00 -0.10 -0.26 0.00 2.58 0.00 0.00 58.73 60.94 1dgk h TYR 219 Cb 0.83 -0.28 0.01 0.00 1.55 0.00 0.00 36.73 38.84 1dgk h TYR 219 CO 0.00 0.80 -1.30 -0.44 -1.32 0.00 0.00 178.16 175.90 1dgk h ASP 220 N 0.90 0.44 -3.11 -2.11 3.32 -1.47 -3.46 116.42 110.93 1dgk h ASP 220 Ca 0.19 -0.88 -0.67 0.00 0.02 0.00 0.00 57.03 55.69 1dgk h ASP 220 Cb 0.32 -0.14 -0.35 0.00 0.22 0.00 0.00 39.33 39.38 1dgk h ASP 220 CO -0.00 1.58 -0.86 -0.62 -1.72 0.00 0.00 179.24 177.62 1dgk s ASP 221 N -7.06 3.14 0.00 6.45 -1.08 0.56 -5.00 116.67 113.68 1dgk s ASP 221 Ca -0.18 -0.63 0.23 0.00 -0.52 0.00 0.00 52.55 51.45 1dgk s ASP 221 Cb 0.04 -1.47 1.13 0.00 -1.46 0.00 0.00 42.92 41.15 1dgk s ASP 221 CO 0.80 0.02 1.76 0.00 0.52 0.00 0.00 175.17 178.27 1dgk n GLN 222 N 4.45 0.25 -0.20 4.34 10.64 -1.26 -2.11 117.38 133.50 1dgk n GLN 222 Ca -0.21 0.08 0.10 0.00 -1.83 0.00 0.00 57.00 55.14 1dgk n GLN 222 Cb 0.50 -1.50 0.27 0.00 -0.86 0.00 0.00 30.24 28.65 1dgk n GLN 222 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1dgk n HIS 223 N -1.34 0.52 -2.42 2.61 8.25 -1.26 -4.91 115.22 116.67 1dgk n HIS 223 Ca 0.10 -0.26 -0.43 0.00 -0.26 0.00 0.00 57.72 56.87 1dgk n HIS 223 Cb 0.21 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 1dgk n HIS 223 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dgk n GLU 225 N 6.44 0.76 -4.14 0.00 1.02 -0.92 -4.87 120.64 118.92 1dgk n GLU 225 Ca 0.14 -0.23 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 1dgk n GLU 225 Cb 0.45 -0.68 -0.12 0.00 -0.02 0.00 0.00 31.44 31.06 1dgk n GLU 225 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1dgk s VAL 226 N -0.17 0.64 -0.09 2.62 1.01 -1.22 -1.75 120.40 121.43 1dgk s VAL 226 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1dgk s VAL 226 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1dgk s VAL 226 CO 0.00 -0.19 -0.22 -0.83 0.00 0.00 0.00 175.10 173.86 1dgk s GLY 227 N -1.18 1.24 -0.06 4.51 0.00 -0.29 -1.63 107.32 109.91 1dgk s GLY 227 Ca -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.81 1dgk s GLY 227 CO 0.01 -0.28 -0.13 -2.27 0.00 0.00 0.00 173.10 170.43 1dgk s LEU 228 N 0.36 1.68 -0.10 0.66 2.96 0.27 -0.65 118.68 123.86 1dgk s LEU 228 Ca -0.17 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1dgk s LEU 228 Cb -0.17 -0.85 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 1dgk s LEU 228 CO 0.08 0.05 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.34 1dgk s ILE 229 N 0.60 2.60 -0.45 6.68 -1.09 -0.50 -1.60 121.20 127.43 1dgk s ILE 229 Ca -0.14 -0.84 0.07 0.00 -2.23 0.00 0.00 60.65 57.51 1dgk s ILE 229 Cb -0.15 -2.03 0.24 0.00 -1.58 0.00 0.00 42.46 38.93 1dgk s ILE 229 CO 0.04 0.55 0.54 -0.38 -1.23 0.00 0.00 174.94 174.46 1dgk n ILE 230 N 3.24 -0.13 0.00 2.92 5.41 -0.57 -2.60 119.36 127.62 1dgk n ILE 230 Ca -0.18 -4.19 0.00 0.00 1.00 0.00 0.00 62.75 59.38 1dgk n ILE 230 Cb 0.53 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.50 1dgk n ILE 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dgk n GLY 231 N 1.50 2.82 0.18 7.39 0.00 -1.26 -2.77 105.19 113.06 1dgk n GLY 231 Ca 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1dgk n GLY 231 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dgk h THR 232 N 0.00 0.80 -4.79 2.61 2.02 -1.94 -1.22 112.91 110.39 1dgk h THR 232 Ca 0.00 -0.08 -0.35 0.00 0.77 0.00 0.00 66.41 66.75 1dgk h THR 232 Cb 0.00 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1dgk h THR 232 CO 0.00 0.04 -0.22 0.61 0.37 0.00 0.00 175.52 176.33 1dgk n GLY 233 N -1.25 3.42 2.97 2.16 0.00 -1.26 -2.45 105.19 108.78 1dgk n GLY 233 Ca 0.03 -2.28 -0.11 0.00 0.00 0.00 0.00 46.02 43.67 1dgk n GLY 233 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dgk s THR 234 N -1.80 0.21 0.01 2.61 -1.32 -1.26 -4.27 115.64 109.83 1dgk s THR 234 Ca 0.08 -0.71 -0.29 0.00 -1.21 0.00 0.00 61.69 59.56 1dgk s THR 234 Cb -0.01 -0.30 0.10 0.00 -1.51 0.00 0.00 72.50 70.79 1dgk s THR 234 CO 0.05 -0.32 1.12 0.21 -2.21 0.00 0.00 174.62 173.46 1dgk s ASN 235 N -1.08 -0.15 -0.01 8.08 2.47 -1.07 -4.03 114.94 119.14 1dgk s ASN 235 Ca -0.10 -0.18 -0.10 0.00 0.42 0.00 0.00 52.86 52.90 1dgk s ASN 235 Cb -0.07 0.29 0.01 0.00 -1.45 0.00 0.00 41.25 40.03 1dgk s ASN 235 CO -0.00 -0.53 0.20 0.00 -3.72 0.00 0.00 177.10 173.05 1dgk s ALA 236 N -2.79 -0.50 0.22 1.71 0.00 -1.26 -1.42 121.76 117.72 1dgk s ALA 236 Ca 0.12 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.29 1dgk s ALA 236 Cb 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1dgk s ALA 236 CO -0.03 -0.21 -0.20 0.00 0.00 0.00 0.00 175.76 175.32 1dgk s TYR 238 N -2.20 -0.20 -0.35 0.00 -0.85 -0.97 -1.14 117.35 111.63 1dgk s TYR 238 Ca 0.23 -0.12 -0.28 0.00 -0.52 0.00 0.00 57.07 56.38 1dgk s TYR 238 Cb -0.06 0.27 0.02 0.00 0.38 0.00 0.00 41.96 42.57 1dgk s TYR 238 CO 0.10 -0.72 1.03 -1.64 -1.52 0.00 0.00 175.55 172.80 1dgk s MET 239 N -3.81 3.96 0.26 -3.49 -1.94 -0.72 -1.17 119.30 112.39 1dgk s MET 239 Ca 0.03 0.85 0.06 0.00 -1.71 0.00 0.00 55.69 54.93 1dgk s MET 239 Cb 0.02 -3.77 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 1dgk s MET 239 CO -0.11 -0.96 0.31 -2.00 -0.01 0.00 0.00 175.02 172.25 1dgk s GLU 240 N 3.66 3.17 0.07 2.03 2.56 -0.47 -4.89 118.70 124.84 1dgk s GLU 240 Ca 0.43 -0.93 -0.28 0.00 0.00 0.00 0.00 54.97 54.19 1dgk s GLU 240 Cb -0.12 -2.74 -0.05 0.00 2.00 0.00 0.00 34.13 33.22 1dgk s GLU 240 CO 0.18 0.35 0.87 -1.21 -0.56 0.00 0.00 175.26 174.90 1dgk s GLU 241 N -3.96 4.59 0.38 4.30 0.41 -1.26 -0.79 118.70 122.38 1dgk s GLU 241 Ca 0.35 1.27 0.10 0.00 -0.41 0.00 0.00 54.97 56.28 1dgk s GLU 241 Cb -0.08 -3.38 0.87 0.00 -1.78 0.00 0.00 34.13 29.75 1dgk s GLU 241 CO 0.28 0.22 1.92 -0.07 -0.49 0.00 0.00 175.26 177.11 1dgk h LEU 242 N 5.75 0.57 -2.84 1.80 -0.00 -0.86 -0.05 115.31 119.69 1dgk h LEU 242 Ca -0.43 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1dgk h LEU 242 Cb 1.21 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1dgk h LEU 242 CO 0.72 0.32 -0.00 0.08 -0.00 0.00 0.00 178.44 179.56 1dgk h ARG 243 N 0.62 0.00 -0.00 1.13 0.11 -1.74 -0.85 114.38 113.65 1dgk h ARG 243 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 1dgk h ARG 243 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1dgk h ARG 243 CO -0.14 0.00 -0.62 0.72 0.10 0.00 0.00 179.97 180.03 1dgk n HIS 244 N -3.16 0.00 -3.25 4.08 8.25 -0.04 -4.69 115.22 116.42 1dgk n HIS 244 Ca -0.03 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.97 1dgk n HIS 244 Cb 0.09 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1dgk n HIS 244 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1dgk s ILE 245 N -2.84 5.53 0.41 1.59 1.01 -0.33 -4.75 121.20 121.81 1dgk s ILE 245 Ca 0.13 -2.54 0.10 0.00 0.00 0.00 0.00 60.65 58.34 1dgk s ILE 245 Cb 0.17 -4.57 0.31 0.00 0.01 0.00 0.00 42.46 38.38 1dgk s ILE 245 CO 0.71 -1.17 1.98 0.44 0.00 0.00 0.00 174.94 176.90 1dgk h ASP 246 N 7.68 0.49 -0.10 3.58 5.19 -1.78 -2.24 116.42 129.23 1dgk h ASP 246 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1dgk h ASP 246 Cb 0.99 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1dgk h ASP 246 CO 0.89 0.31 0.00 0.18 -3.12 0.00 0.00 179.24 177.50 1dgk n LEU 247 N -4.48 0.70 -4.12 1.55 4.77 -1.26 -4.71 117.00 109.45 1dgk n LEU 247 Ca 0.09 -0.32 -0.32 0.00 -0.03 0.00 0.00 56.01 55.43 1dgk n LEU 247 Cb 0.27 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.13 1dgk n LEU 247 CO 0.34 0.16 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.34 1dgk s VAL 248 N -1.87 1.93 0.23 4.08 1.01 -0.84 -5.09 120.40 119.86 1dgk s VAL 248 Ca 0.20 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1dgk s VAL 248 Cb 0.10 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.65 1dgk s VAL 248 CO 0.15 0.52 1.40 -0.70 0.00 0.00 0.00 175.10 176.47 1dgk s GLU 249 N 1.07 4.31 0.00 2.72 2.56 -1.26 -4.85 118.70 123.25 1dgk s GLU 249 Ca -0.02 2.22 0.00 0.00 0.00 0.00 0.00 54.97 57.17 1dgk s GLU 249 Cb -0.14 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.85 1dgk s GLU 249 CO -0.07 -0.36 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 1dgk n GLY 250 N 2.24 3.60 0.00 -1.50 0.00 -1.26 -4.96 105.19 103.31 1dgk n GLY 250 Ca 0.06 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1dgk n GLY 250 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dgk n ASP 251 N 0.00 1.55 -4.59 1.61 8.00 -1.26 -4.24 116.55 117.62 1dgk n ASP 251 Ca 0.00 -1.68 -0.43 0.00 0.71 0.00 0.00 54.79 53.39 1dgk n ASP 251 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1dgk n ASP 251 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1dgk s GLU 252 N -0.68 3.63 2.61 -1.24 4.04 -1.26 -4.03 118.70 121.77 1dgk s GLU 252 Ca 0.00 0.41 0.00 0.00 0.04 0.00 0.00 54.97 55.42 1dgk s GLU 252 Cb 0.00 -3.94 0.00 0.00 0.02 0.00 0.00 34.13 30.21 1dgk s GLU 252 CO 0.00 -1.45 0.00 0.41 -1.84 0.00 0.00 175.26 172.38 1dgk n GLY 253 N 4.93 -0.39 3.46 -3.83 0.00 -1.26 -4.64 105.19 103.46 1dgk n GLY 253 Ca 0.10 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1dgk n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dgk s ARG 254 N 0.00 1.65 -0.16 1.61 0.52 -1.26 -0.21 118.95 121.10 1dgk s ARG 254 Ca 0.00 -1.78 -0.12 0.00 -0.52 0.00 0.00 55.73 53.32 1dgk s ARG 254 Cb 0.00 -1.64 0.05 0.00 0.52 0.00 0.00 34.95 33.88 1dgk s ARG 254 CO 0.00 0.26 0.40 1.41 0.02 0.00 0.00 175.30 177.39 1dgk s MET 255 N -3.56 0.43 0.27 3.54 1.75 0.03 -4.53 119.30 117.22 1dgk s MET 255 Ca 0.29 0.65 -0.30 0.00 -1.25 0.00 0.00 55.69 55.08 1dgk s MET 255 Cb -0.03 0.12 -0.10 0.00 2.84 0.00 0.00 34.83 37.66 1dgk s MET 255 CO 0.14 -0.10 1.40 0.00 -0.65 0.00 0.00 175.02 175.81 1dgk s ILE 257 N -0.26 3.01 -0.44 0.00 -1.09 -0.32 -2.54 121.20 119.56 1dgk s ILE 257 Ca 0.57 -0.67 -0.21 0.00 -2.23 0.00 0.00 60.65 58.11 1dgk s ILE 257 Cb -0.41 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.22 1dgk s ILE 257 CO 0.45 0.51 0.67 0.21 -1.23 0.00 0.00 174.94 175.56 1dgk s ASN 258 N 0.55 6.34 0.20 3.58 2.47 -0.10 -2.30 114.94 125.68 1dgk s ASN 258 Ca -0.08 -0.29 -0.07 0.00 0.42 0.00 0.00 52.86 52.84 1dgk s ASN 258 Cb -0.16 -2.33 0.15 0.00 -1.45 0.00 0.00 41.25 37.46 1dgk s ASN 258 CO 0.04 -0.81 1.67 0.71 -3.72 0.00 0.00 177.10 174.98 1dgk h THR 259 N 5.90 1.26 -5.73 -5.21 1.35 -1.65 -1.20 112.91 107.63 1dgk h THR 259 Ca -0.25 -1.15 -0.35 0.00 -0.55 0.00 0.00 66.41 64.10 1dgk h THR 259 Cb 1.09 0.88 0.15 0.00 -1.73 0.00 0.00 68.15 68.54 1dgk h THR 259 CO 0.91 0.41 -0.77 -0.62 -0.25 0.00 0.00 175.52 175.20 1dgk n GLU 260 N -4.17 -6.53 0.08 4.72 -0.58 -1.26 -2.68 120.64 110.21 1dgk n GLU 260 Ca 0.02 0.82 0.08 0.00 -0.42 0.00 0.00 57.16 57.66 1dgk n GLU 260 Cb 0.35 -5.78 0.37 0.00 -0.57 0.00 0.00 31.44 25.81 1dgk n GLU 260 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1dgk n TRP 261 N -4.24 0.43 0.25 -0.32 2.14 -1.26 -2.65 117.44 111.79 1dgk n TRP 261 Ca -0.26 0.19 0.07 0.00 2.07 0.00 0.00 57.50 59.58 1dgk n TRP 261 Cb 0.66 -0.81 0.61 0.00 -0.81 0.00 0.00 31.31 30.96 1dgk n TRP 261 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 1dgk h GLY 262 N 1.33 0.00 0.37 -1.67 0.00 -1.90 -1.65 103.07 99.56 1dgk h GLY 262 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dgk h GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1dgk n ALA 263 N -2.52 2.62 -1.72 3.60 0.00 -1.09 -1.88 120.51 119.52 1dgk n ALA 263 Ca -0.03 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1dgk n ALA 263 Cb 0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1dgk n ALA 263 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dgk n PHE 264 N -0.57 2.69 -0.59 0.00 -0.00 -0.62 -2.12 117.46 116.26 1dgk n PHE 264 Ca 0.18 0.18 0.00 0.00 -0.00 0.00 0.00 57.45 57.81 1dgk n PHE 264 Cb 0.16 -2.61 0.00 0.00 -0.00 0.00 0.00 39.48 37.03 1dgk n PHE 264 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1dgk n GLY 265 N 3.07 0.79 0.31 7.13 0.00 -1.26 -2.57 105.19 112.66 1dgk n GLY 265 Ca 0.13 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.34 1dgk n GLY 265 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dgk h ASP 266 N 0.00 0.00 0.70 1.61 5.19 -1.74 0.89 116.42 123.07 1dgk h ASP 266 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1dgk h ASP 266 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1dgk h ASP 266 CO 0.00 0.02 -0.41 -0.90 -3.12 0.00 0.00 179.24 174.83 1dgk n ASP 267 N -3.26 0.45 0.00 6.45 3.85 -1.26 -4.90 116.55 117.88 1dgk n ASP 267 Ca -0.02 -0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.06 1dgk n ASP 267 Cb 0.16 0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1dgk n ASP 267 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1dgk n GLY 268 N 1.46 1.03 0.00 6.12 0.00 0.30 -5.00 105.19 109.11 1dgk n GLY 268 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1dgk n GLY 268 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dgk n SER 269 N 0.00 0.00 -0.39 1.61 3.41 -1.24 -3.00 113.62 114.01 1dgk n SER 269 Ca 0.00 -0.11 0.05 0.00 -0.26 0.00 0.00 58.87 58.55 1dgk n SER 269 Cb 0.00 -0.27 0.12 0.00 -0.26 0.00 0.00 64.21 63.80 1dgk n SER 269 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dgk n LEU 270 N -1.27 2.69 0.23 1.04 4.77 -1.26 -4.72 117.00 118.48 1dgk n LEU 270 Ca 0.12 -2.30 0.16 0.00 -0.03 0.00 0.00 56.01 53.96 1dgk n LEU 270 Cb 0.19 -0.23 0.84 0.00 -2.33 0.00 0.00 43.42 41.89 1dgk n LEU 270 CO 0.19 0.64 1.14 -0.33 -1.33 0.00 0.00 177.39 177.70 1dgk h GLU 271 N 1.04 0.00 0.00 3.23 4.39 -1.86 0.13 114.58 121.51 1dgk h GLU 271 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1dgk h GLU 271 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1dgk h GLU 271 CO 0.04 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 177.49 1dgk n ASP 272 N -3.86 0.55 -0.11 1.42 5.75 -1.26 -3.17 116.55 115.87 1dgk n ASP 272 Ca 0.00 0.57 -0.13 0.00 -0.01 0.00 0.00 54.79 55.23 1dgk n ASP 272 Cb 0.26 -0.71 -0.14 0.00 -1.03 0.00 0.00 41.12 39.49 1dgk n ASP 272 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1dgk n ILE 273 N -2.04 1.44 -2.32 2.12 2.08 0.33 -4.99 119.36 115.98 1dgk n ILE 273 Ca 0.05 -0.74 -0.38 0.00 0.56 0.00 0.00 62.75 62.24 1dgk n ILE 273 Cb 0.34 -0.87 -0.02 0.00 -0.75 0.00 0.00 39.64 38.34 1dgk n ILE 273 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1dgk s ARG 274 N -2.51 4.04 0.50 0.38 0.52 -0.43 -4.89 118.95 116.56 1dgk s ARG 274 Ca -0.20 1.79 0.05 0.00 -0.52 0.00 0.00 55.73 56.85 1dgk s ARG 274 Cb 0.07 -2.63 0.05 0.00 0.52 0.00 0.00 34.95 32.95 1dgk s ARG 274 CO 0.74 -0.32 0.38 0.25 0.02 0.00 0.00 175.30 176.37 1dgk n THR 275 N 0.00 0.00 -0.15 0.02 -2.24 -1.26 -4.97 114.28 105.69 1dgk n THR 275 Ca 0.05 -1.97 -0.01 0.00 -2.27 0.00 0.00 64.05 59.84 1dgk n THR 275 Cb 0.47 -0.08 0.23 0.00 -2.10 0.00 0.00 70.33 68.85 1dgk n THR 275 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1dgk h GLU 276 N 0.00 0.85 -0.64 -0.78 4.11 -1.99 -1.79 114.58 114.35 1dgk h GLU 276 Ca -0.31 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1dgk h GLU 276 Cb 1.15 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1dgk h GLU 276 CO 0.49 0.69 0.34 0.74 0.07 0.00 0.00 179.01 181.34 1dgk h PHE 277 N 0.84 0.89 -0.42 2.06 0.04 -1.97 0.13 116.94 118.51 1dgk h PHE 277 Ca 0.20 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1dgk h PHE 277 Cb 0.14 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 1dgk h PHE 277 CO 0.01 0.64 0.26 -0.44 -0.60 0.00 0.00 178.31 178.19 1dgk h ASP 278 N 0.87 0.44 -0.85 2.17 3.32 -1.74 -0.22 116.42 120.41 1dgk h ASP 278 Ca 0.22 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1dgk h ASP 278 Cb 0.06 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1dgk h ASP 278 CO -0.03 0.32 0.50 0.03 -1.72 0.00 0.00 179.24 178.33 1dgk h ARG 279 N 0.53 1.17 0.04 3.56 3.08 -0.86 0.68 114.38 122.59 1dgk h ARG 279 Ca 0.16 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1dgk h ARG 279 Cb -0.02 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.79 1dgk h ARG 279 CO -0.06 0.83 -0.02 0.00 -1.07 0.00 0.00 179.97 179.65 1dgk h ALA 280 N 1.27 -0.06 -0.65 0.04 0.00 0.14 -1.55 119.26 118.44 1dgk h ALA 280 Ca 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1dgk h ALA 280 Cb -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1dgk h ALA 280 CO -0.05 -0.44 0.24 0.97 0.00 0.00 0.00 179.25 179.96 1dgk h ILE 281 N -0.24 1.23 -0.38 0.00 2.10 -0.89 -2.54 117.51 116.78 1dgk h ILE 281 Ca -0.01 -0.75 -0.03 0.00 1.08 0.00 0.00 64.86 65.16 1dgk h ILE 281 Cb 0.22 0.48 -0.02 0.00 -1.09 0.00 0.00 36.82 36.40 1dgk h ILE 281 CO 0.01 0.30 0.13 -0.78 -1.08 0.00 0.00 178.15 176.73 1dgk h ASP 282 N 0.94 0.55 -0.89 2.19 -0.00 -0.76 -2.53 116.42 115.92 1dgk h ASP 282 Ca 0.22 -0.19 0.02 0.00 -0.00 0.00 0.00 57.03 57.07 1dgk h ASP 282 Cb 0.21 -0.14 -0.05 0.00 -0.00 0.00 0.00 39.33 39.35 1dgk h ASP 282 CO -0.02 0.59 0.59 0.00 -0.00 0.00 0.00 179.24 180.40 1dgk h ALA 283 N 0.98 1.14 -0.34 -0.78 0.00 -0.88 -2.49 119.26 116.89 1dgk h ALA 283 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dgk h ALA 283 Cb 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1dgk h ALA 283 CO -0.01 0.51 0.00 0.66 0.00 0.00 0.00 179.25 180.41 1dgk n TYR 284 N -4.48 0.45 -1.86 0.00 4.02 -1.02 -4.78 117.16 109.48 1dgk n TYR 284 Ca 0.10 -0.23 -0.30 0.00 -0.01 0.00 0.00 57.90 57.47 1dgk n TYR 284 Cb 0.03 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.54 1dgk n TYR 284 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1dgk s SER 285 N -1.22 2.93 0.44 7.72 1.04 -0.94 -4.95 113.70 118.72 1dgk s SER 285 Ca 0.30 0.29 0.22 0.00 0.48 0.00 0.00 55.95 57.24 1dgk s SER 285 Cb 0.16 -0.35 1.02 0.00 0.10 0.00 0.00 66.02 66.96 1dgk s SER 285 CO 0.22 -2.85 1.90 -0.07 0.98 0.00 0.00 173.24 173.42 1dgk h LEU 286 N -1.72 0.00 -6.44 2.42 3.38 -1.89 -3.33 115.31 107.73 1dgk h LEU 286 Ca -0.44 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.93 1dgk h LEU 286 Cb 1.24 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.59 1dgk h LEU 286 CO 0.37 0.25 -0.80 -0.46 0.09 0.00 0.00 178.44 177.89 1dgk n ASN 287 N -3.67 1.66 -4.75 -0.43 6.94 -1.26 -5.11 115.26 108.64 1dgk n ASN 287 Ca -0.01 -2.94 -0.41 0.00 -0.02 0.00 0.00 54.58 51.20 1dgk n ASN 287 Cb 0.37 -0.66 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 1dgk n ASN 287 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 1dgk s PRO 288 N -1.26 4.28 0.00 -0.53 0.02 -1.25 -2.39 135.00 133.87 1dgk s PRO 288 Ca 0.33 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1dgk s PRO 288 Cb 0.07 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1dgk s PRO 288 CO -0.13 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 1dgk n GLY 289 N 2.01 0.93 3.49 0.52 0.00 -1.26 -5.02 105.19 105.87 1dgk n GLY 289 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1dgk n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgk s LYS 290 N -0.04 1.77 -1.32 1.61 -0.14 -1.01 -4.74 119.74 115.88 1dgk s LYS 290 Ca 0.00 -1.43 -0.03 0.00 -1.36 0.00 0.00 55.97 53.14 1dgk s LYS 290 Cb 0.00 -1.98 0.02 0.00 -1.68 0.00 0.00 37.83 34.19 1dgk s LYS 290 CO 0.00 0.41 0.88 1.04 -0.76 0.00 0.00 175.35 176.92 1dgk n GLN 291 N 0.08 -5.82 -0.06 1.68 1.13 -1.26 -4.87 117.38 108.26 1dgk n GLN 291 Ca -0.11 0.70 -0.09 0.00 -1.94 0.00 0.00 57.00 55.56 1dgk n GLN 291 Cb 0.56 -5.49 0.07 0.00 0.11 0.00 0.00 30.24 25.49 1dgk n GLN 291 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1dgk h LEU 292 N -2.02 0.75 -0.32 1.08 3.38 -1.72 -2.23 115.31 114.24 1dgk h LEU 292 Ca -0.60 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.00 1dgk h LEU 292 Cb 1.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1dgk h LEU 292 CO 0.57 1.04 -0.01 0.15 0.09 0.00 0.00 178.44 180.27 1dgk h PHE 293 N 0.60 0.63 -0.01 1.13 3.57 -1.10 -2.67 116.94 119.09 1dgk h PHE 293 Ca 0.06 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1dgk h PHE 293 Cb 0.89 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1dgk h PHE 293 CO 0.04 0.71 -0.11 1.49 -2.23 0.00 0.00 178.31 178.21 1dgk h GLU 294 N 0.37 0.02 0.00 1.11 4.81 -1.32 0.90 114.58 120.46 1dgk h GLU 294 Ca 0.09 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1dgk h GLU 294 Cb 0.46 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1dgk h GLU 294 CO 0.02 0.12 0.00 1.63 -0.73 0.00 0.00 179.01 180.05 1dgk n LYS 295 N -4.40 0.09 0.01 1.92 5.02 -0.85 -1.71 118.16 118.23 1dgk n LYS 295 Ca -0.03 0.20 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 1dgk n LYS 295 Cb 0.19 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1dgk n LYS 295 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1dgk n MET 296 N -1.79 0.16 -0.06 1.97 2.81 0.30 -4.77 117.12 115.74 1dgk n MET 296 Ca 0.05 -0.02 -0.11 0.00 -1.81 0.00 0.00 57.70 55.81 1dgk n MET 296 Cb 0.28 -1.54 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 1dgk n MET 296 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1dgk n VAL 297 N -1.73 0.63 -2.18 2.03 0.31 -0.75 -4.35 118.33 112.29 1dgk n VAL 297 Ca 0.03 -0.18 -0.28 0.00 -0.01 0.00 0.00 64.34 63.89 1dgk n VAL 297 Cb 0.39 -1.45 0.03 0.00 -0.91 0.00 0.00 33.84 31.90 1dgk n VAL 297 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1dgk s SER 298 N -5.78 5.66 0.56 4.52 1.04 -0.70 -4.83 113.70 114.18 1dgk s SER 298 Ca -0.16 0.96 0.26 0.00 0.48 0.00 0.00 55.95 57.49 1dgk s SER 298 Cb 0.06 -1.91 1.53 0.00 0.10 0.00 0.00 66.02 65.79 1dgk s SER 298 CO 0.22 -1.10 2.07 1.23 0.98 0.00 0.00 173.24 176.63 1dgk h GLY 299 N -0.33 0.00 1.58 7.32 0.00 -1.31 -1.25 103.07 109.07 1dgk h GLY 299 Ca -0.45 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 1dgk h GLY 299 CO 0.62 0.00 -0.40 1.98 0.00 0.00 0.00 176.54 178.74 1dgk h MET 300 N 0.00 0.47 0.00 4.80 -1.53 -1.66 -3.36 114.93 113.65 1dgk h MET 300 Ca 0.13 -0.23 -0.14 0.00 -3.44 0.00 0.00 59.70 56.01 1dgk h MET 300 Cb 0.61 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.63 1dgk h MET 300 CO -0.00 0.79 -1.91 0.66 0.14 0.00 0.00 176.91 176.59 1dgk n TYR 301 N -4.03 0.00 -0.20 1.39 4.02 -0.57 -4.68 117.16 113.09 1dgk n TYR 301 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 1dgk n TYR 301 Cb 0.50 -0.57 0.06 0.00 -0.02 0.00 0.00 39.34 39.31 1dgk n TYR 301 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1dgk h LEU 302 N 0.00 0.53 -0.58 7.72 3.38 -1.45 -1.67 115.31 123.24 1dgk h LEU 302 Ca -0.21 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1dgk h LEU 302 Cb 1.36 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1dgk h LEU 302 CO 0.01 0.36 0.36 1.23 0.09 0.00 0.00 178.44 180.49 1dgk h GLY 303 N 0.66 0.82 1.31 0.83 0.00 -1.79 -2.03 103.07 102.88 1dgk h GLY 303 Ca 0.25 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1dgk h GLY 303 CO -0.13 0.23 0.13 -2.09 0.00 0.00 0.00 176.54 174.68 1dgk h GLU 304 N 0.71 0.86 -0.24 4.80 4.57 -1.45 -0.78 114.58 123.05 1dgk h GLU 304 Ca 0.23 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1dgk h GLU 304 Cb 0.01 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1dgk h GLU 304 CO -0.09 0.78 0.15 -0.07 -1.18 0.00 0.00 179.01 178.59 1dgk h LEU 305 N 0.82 0.28 -0.01 1.64 3.38 -0.81 -0.44 115.31 120.18 1dgk h LEU 305 Ca 0.18 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1dgk h LEU 305 Cb 0.31 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1dgk h LEU 305 CO 0.00 0.23 -0.16 0.58 0.09 0.00 0.00 178.44 179.17 1dgk h VAL 306 N 0.31 0.60 -0.26 1.22 2.07 -0.99 -1.66 116.25 117.54 1dgk h VAL 306 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1dgk h VAL 306 Cb -0.01 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1dgk h VAL 306 CO -0.02 0.00 -0.05 -0.09 0.02 0.00 0.00 177.57 177.43 1dgk h ARG 307 N -0.27 0.02 -0.97 1.57 2.43 -0.81 -0.58 114.38 115.76 1dgk h ARG 307 Ca 0.06 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1dgk h ARG 307 Cb 0.34 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 1dgk h ARG 307 CO -0.16 0.01 0.62 -0.07 -1.51 0.00 0.00 179.97 178.86 1dgk h LEU 308 N 0.02 0.93 -0.72 3.80 3.38 -0.82 0.56 115.31 122.45 1dgk h LEU 308 Ca 0.12 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1dgk h LEU 308 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1dgk h LEU 308 CO -0.26 0.54 -0.12 0.40 0.09 0.00 0.00 178.44 179.10 1dgk h ILE 309 N 1.03 1.26 -0.29 1.22 2.04 -0.61 -2.64 117.51 119.53 1dgk h ILE 309 Ca 0.45 -1.21 -0.17 0.00 1.00 0.00 0.00 64.86 64.93 1dgk h ILE 309 Cb 0.36 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1dgk h ILE 309 CO -0.21 0.42 -0.50 -0.07 0.00 0.00 0.00 178.15 177.80 1dgk h LEU 310 N 0.77 0.87 0.36 1.44 3.38 0.44 -1.59 115.31 120.98 1dgk h LEU 310 Ca 0.13 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1dgk h LEU 310 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1dgk h LEU 310 CO 0.04 1.21 -0.25 0.58 0.09 0.00 0.00 178.44 180.11 1dgk h VAL 311 N 0.62 0.47 -0.79 1.22 2.07 -0.88 0.19 116.25 119.15 1dgk h VAL 311 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.63 1dgk h VAL 311 Cb 1.08 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 1dgk h VAL 311 CO 0.11 0.00 0.45 0.50 0.02 0.00 0.00 177.57 178.64 1dgk h LYS 312 N -0.60 0.74 -0.68 1.57 3.64 -1.37 -0.49 116.57 119.37 1dgk h LYS 312 Ca -0.03 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1dgk h LYS 312 Cb 0.52 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1dgk h LYS 312 CO 0.01 0.49 0.34 0.52 -2.27 0.00 0.00 179.45 178.54 1dgk h MET 313 N 0.77 0.97 -0.18 1.90 2.86 -1.03 -1.65 114.93 118.57 1dgk h MET 313 Ca 0.38 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1dgk h MET 313 Cb 0.33 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1dgk h MET 313 CO -0.24 0.76 0.10 0.00 1.06 0.00 0.00 176.91 178.59 1dgk h ALA 314 N 1.16 0.23 -0.80 6.32 0.00 0.51 0.69 119.26 127.36 1dgk h ALA 314 Ca 0.24 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.23 1dgk h ALA 314 Cb 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1dgk h ALA 314 CO -0.03 -0.24 0.53 0.87 0.00 0.00 0.00 179.25 180.38 1dgk h LYS 315 N 0.18 0.53 -0.21 0.00 1.57 -0.77 0.93 116.57 118.79 1dgk h LYS 315 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1dgk h LYS 315 Cb 0.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1dgk h LYS 315 CO -0.01 0.35 0.00 0.39 -0.57 0.00 0.00 179.45 179.61 1dgk n GLU 316 N -4.51 1.54 -1.82 3.15 1.02 -0.65 -4.91 120.64 114.46 1dgk n GLU 316 Ca 0.15 -0.84 -0.17 0.00 -0.02 0.00 0.00 57.16 56.28 1dgk n GLU 316 Cb 0.49 -1.23 -0.05 0.00 -0.02 0.00 0.00 31.44 30.62 1dgk n GLU 316 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dgk n GLY 317 N 0.92 0.90 0.10 0.62 0.00 0.32 -4.85 105.19 103.20 1dgk n GLY 317 Ca 0.10 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1dgk n GLY 317 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dgk h LEU 318 N 0.00 0.00 -8.32 0.99 3.38 -1.06 -3.40 115.31 106.90 1dgk h LEU 318 Ca -0.37 -0.11 -0.31 0.00 0.09 0.00 0.00 57.88 57.18 1dgk h LEU 318 Cb 1.18 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.74 1dgk h LEU 318 CO 0.50 0.05 -0.74 -0.76 0.09 0.00 0.00 178.44 177.58 1dgk s LEU 319 N -4.85 2.32 -0.97 1.67 1.43 -1.22 -4.87 118.68 112.20 1dgk s LEU 319 Ca 0.04 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1dgk s LEU 319 Cb 0.11 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.05 1dgk s LEU 319 CO 0.74 -0.21 0.00 0.49 0.23 0.00 0.00 176.35 177.60 1dgk n PHE 320 N 1.06 -1.40 -3.92 0.29 0.99 -1.26 -1.15 117.46 112.07 1dgk n PHE 320 Ca -0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 56.94 1dgk n PHE 320 Cb 0.56 -2.56 -0.01 0.00 -1.00 0.00 0.00 39.48 36.46 1dgk n PHE 320 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1dgk n GLU 321 N -2.70 -3.50 -0.95 -1.08 1.02 -1.26 0.05 120.64 112.22 1dgk n GLU 321 Ca -0.13 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1dgk n GLU 321 Cb 0.58 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 1dgk n GLU 321 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dgk n GLY 322 N -1.34 0.72 3.72 0.62 0.00 -0.30 -4.96 105.19 103.64 1dgk n GLY 322 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1dgk n GLY 322 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dgk s ARG 323 N -0.20 4.22 -0.11 1.61 0.52 0.11 -4.77 118.95 120.32 1dgk s ARG 323 Ca 0.00 2.37 -0.02 0.00 -0.52 0.00 0.00 55.73 57.55 1dgk s ARG 323 Cb 0.00 -3.15 0.04 0.00 0.52 0.00 0.00 34.95 32.36 1dgk s ARG 323 CO 0.00 -0.60 0.02 0.42 0.02 0.00 0.00 175.30 175.17 1dgk s ILE 324 N 1.04 0.34 0.33 1.52 1.01 -1.26 -4.82 121.20 119.36 1dgk s ILE 324 Ca 0.69 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 61.33 1dgk s ILE 324 Cb -0.44 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1dgk s ILE 324 CO 0.32 0.07 0.45 0.42 0.00 0.00 0.00 174.94 176.20 1dgk s THR 325 N 1.97 4.15 0.28 2.92 -4.23 -1.26 -5.00 115.64 114.47 1dgk s THR 325 Ca 0.03 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.56 1dgk s THR 325 Cb -0.14 -3.44 0.06 0.00 1.34 0.00 0.00 72.50 70.32 1dgk s THR 325 CO -0.06 -0.17 1.71 1.55 -0.54 0.00 0.00 174.62 177.10 1dgk h PRO 326 N 0.94 0.41 -0.08 3.99 0.13 -1.97 -1.55 132.00 133.87 1dgk h PRO 326 Ca -0.46 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1dgk h PRO 326 Cb 1.25 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1dgk h PRO 326 CO 0.54 0.68 0.04 0.93 -0.23 0.00 0.00 178.00 179.96 1dgk h GLU 327 N 0.36 0.09 -1.00 0.86 3.07 -1.95 0.65 114.58 116.65 1dgk h GLU 327 Ca 0.05 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.04 1dgk h GLU 327 Cb 0.72 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.52 1dgk h GLU 327 CO 0.06 0.06 0.63 1.25 -1.40 0.00 0.00 179.01 179.60 1dgk h LEU 328 N 0.09 0.88 0.00 1.33 5.85 -1.52 0.26 115.31 122.21 1dgk h LEU 328 Ca 0.03 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1dgk h LEU 328 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1dgk h LEU 328 CO -0.02 0.43 0.00 0.18 -0.34 0.00 0.00 178.44 178.68 1dgk n LEU 329 N -4.66 0.00 -4.65 2.25 4.77 -0.47 -4.79 117.00 109.45 1dgk n LEU 329 Ca 0.20 0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 56.19 1dgk n LEU 329 Cb 0.42 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1dgk n LEU 329 CO 0.26 -0.08 0.95 -0.89 -1.33 0.00 0.00 177.39 176.29 1dgk s THR 330 N -2.87 4.59 0.18 -5.08 2.01 0.93 -4.97 115.64 110.43 1dgk s THR 330 Ca 0.15 1.89 -0.33 0.00 0.31 0.00 0.00 61.69 63.71 1dgk s THR 330 Cb 0.16 -4.31 -0.14 0.00 0.01 0.00 0.00 72.50 68.22 1dgk s THR 330 CO 0.41 -0.27 1.55 -1.14 -0.69 0.00 0.00 174.62 174.48 1dgk n ARG 331 N 6.53 2.18 -0.39 4.92 0.63 -1.26 -1.92 116.66 127.34 1dgk n ARG 331 Ca 0.12 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 1dgk n ARG 331 Cb 0.46 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.84 1dgk n ARG 331 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1dgk n GLY 332 N 3.14 1.62 0.19 5.14 0.00 -1.26 -4.91 105.19 109.11 1dgk n GLY 332 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1dgk n GLY 332 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dgk h LYS 333 N 2.94 0.00 -4.65 1.61 1.63 -1.71 -3.39 116.57 113.01 1dgk h LYS 333 Ca 0.00 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 59.15 1dgk h LYS 333 Cb 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 31.25 1dgk h LYS 333 CO 0.00 0.00 -0.79 0.12 -3.45 0.00 0.00 179.45 175.33 1dgk s PHE 334 N -3.49 3.00 0.55 1.91 5.36 -1.26 -5.09 117.98 118.96 1dgk s PHE 334 Ca 0.02 -2.20 0.09 0.00 -0.96 0.00 0.00 56.93 53.88 1dgk s PHE 334 Cb 0.09 -1.92 0.08 0.00 -0.34 0.00 0.00 43.02 40.93 1dgk s PHE 334 CO 0.43 -0.85 0.76 0.54 -1.46 0.00 0.00 175.22 174.63 1dgk s ASN 335 N 1.19 5.18 0.41 6.13 6.03 -1.26 -3.23 114.94 129.39 1dgk s ASN 335 Ca -0.05 -0.79 0.16 0.00 -1.03 0.00 0.00 52.86 51.14 1dgk s ASN 335 Cb -0.19 0.17 0.90 0.00 -3.03 0.00 0.00 41.25 39.10 1dgk s ASN 335 CO -0.06 -1.26 1.90 0.74 -2.03 0.00 0.00 177.10 176.39 1dgk h THR 336 N 0.24 1.11 -0.73 0.54 2.02 -1.90 -1.36 112.91 112.83 1dgk h THR 336 Ca -0.31 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 1dgk h THR 336 Cb 1.29 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1dgk h THR 336 CO 0.41 0.28 0.40 0.28 0.37 0.00 0.00 175.52 177.26 1dgk h SER 337 N 0.00 0.90 -0.65 4.18 0.02 -1.95 -0.16 113.55 115.89 1dgk h SER 337 Ca -0.00 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1dgk h SER 337 Cb 0.53 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1dgk h SER 337 CO 0.04 0.72 0.08 0.44 -1.14 0.00 0.00 176.83 176.96 1dgk h ASP 338 N 1.01 1.05 -0.49 3.07 3.32 -1.65 0.26 116.42 123.00 1dgk h ASP 338 Ca 0.26 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1dgk h ASP 338 Cb 0.02 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1dgk h ASP 338 CO -0.04 1.06 0.25 0.58 -1.72 0.00 0.00 179.24 179.37 1dgk h VAL 339 N 1.00 0.97 -0.39 -1.35 2.07 -0.72 -0.62 116.25 117.21 1dgk h VAL 339 Ca 0.19 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1dgk h VAL 339 Cb 0.47 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1dgk h VAL 339 CO 0.02 0.09 0.11 0.28 0.02 0.00 0.00 177.57 178.09 1dgk h SER 340 N 0.50 0.58 -0.57 0.57 0.02 -0.63 -2.14 113.55 111.87 1dgk h SER 340 Ca 0.21 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1dgk h SER 340 Cb 0.11 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1dgk h SER 340 CO -0.14 0.64 0.33 0.00 -1.14 0.00 0.00 176.83 176.52 1dgk h ALA 341 N 0.96 0.73 0.00 3.77 0.00 -0.07 -1.87 119.26 122.78 1dgk h ALA 341 Ca 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1dgk h ALA 341 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1dgk h ALA 341 CO -0.00 0.23 -0.22 0.82 0.00 0.00 0.00 179.25 180.08 1dgk h ILE 342 N 0.77 1.08 -0.16 0.00 2.04 -0.92 -2.62 117.51 117.70 1dgk h ILE 342 Ca 0.20 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1dgk h ILE 342 Cb 0.01 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1dgk h ILE 342 CO -0.04 0.21 0.00 -0.62 0.00 0.00 0.00 178.15 177.71 1dgk n GLU 343 N -4.17 1.72 -1.89 2.37 1.02 -0.71 -4.26 120.64 114.71 1dgk n GLU 343 Ca -0.02 -1.07 -0.41 0.00 -0.02 0.00 0.00 57.16 55.63 1dgk n GLU 343 Cb 0.28 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 1dgk n GLU 343 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dgk s LYS 344 N -1.80 4.18 0.14 3.49 1.02 -0.99 -4.82 119.74 120.96 1dgk s LYS 344 Ca 0.33 2.47 -0.27 0.00 0.02 0.00 0.00 55.97 58.52 1dgk s LYS 344 Cb 0.18 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1dgk s LYS 344 CO 0.27 -0.45 1.60 -0.97 -0.92 0.00 0.00 175.35 174.88 1dgk h ASN 345 N 3.38 -1.10 0.12 2.83 -0.73 -1.91 -0.75 115.58 117.41 1dgk h ASN 345 Ca -0.50 0.16 -0.36 0.00 1.87 0.00 0.00 56.30 57.47 1dgk h ASN 345 Cb 1.23 0.47 -0.05 0.00 0.27 0.00 0.00 38.32 40.24 1dgk h ASN 345 CO 0.67 -0.38 -2.19 1.17 -0.37 0.00 0.00 177.43 176.33 1dgk n LYS 346 N -5.42 0.69 -0.07 6.67 4.81 -1.26 -4.57 118.16 119.01 1dgk n LYS 346 Ca -0.03 0.18 0.11 0.00 -0.87 0.00 0.00 58.31 57.70 1dgk n LYS 346 Cb 0.34 -1.62 0.14 0.00 0.02 0.00 0.00 35.03 33.90 1dgk n LYS 346 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1dgk n GLU 347 N -3.20 2.28 0.08 1.64 0.00 -1.25 -4.64 120.64 115.55 1dgk n GLU 347 Ca -0.35 -2.01 -0.12 0.00 0.00 0.00 0.00 57.16 54.68 1dgk n GLU 347 Cb 1.05 -1.46 -0.05 0.00 0.00 0.00 0.00 31.44 30.98 1dgk n GLU 347 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1dgk h GLY 348 N 4.43 -0.56 1.09 -1.84 0.00 -1.29 0.13 103.07 105.02 1dgk h GLY 348 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.74 1dgk h GLY 348 CO 0.00 -0.24 0.56 1.41 0.00 0.00 0.00 176.54 178.28 1dgk h LEU 349 N -0.50 0.94 -0.31 3.11 3.38 -1.82 0.29 115.31 120.41 1dgk h LEU 349 Ca 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1dgk h LEU 349 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1dgk h LEU 349 CO -0.24 0.66 0.05 -0.74 0.09 0.00 0.00 178.44 178.26 1dgk h HIS 350 N 1.10 0.54 -0.86 1.13 -0.00 -1.76 -1.32 115.15 113.97 1dgk h HIS 350 Ca 0.33 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.62 1dgk h HIS 350 Cb -0.04 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.18 1dgk h HIS 350 CO -0.00 0.59 0.53 -0.91 -0.00 0.00 0.00 177.93 178.13 1dgk h ASN 351 N 0.33 1.02 -0.46 3.26 2.35 0.03 -1.97 115.58 120.14 1dgk h ASN 351 Ca 0.09 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1dgk h ASN 351 Cb 0.34 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 1dgk h ASN 351 CO 0.01 0.78 0.11 0.00 -1.65 0.00 0.00 177.43 176.67 1dgk h ALA 352 N 1.29 0.52 0.02 -0.83 0.00 -0.01 0.02 119.26 120.27 1dgk h ALA 352 Ca 0.31 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1dgk h ALA 352 Cb -0.06 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1dgk h ALA 352 CO -0.06 -0.29 -0.16 -0.22 0.00 0.00 0.00 179.25 178.52 1dgk h LYS 353 N 0.26 -0.26 0.22 0.00 3.64 -0.57 0.50 116.57 120.35 1dgk h LYS 353 Ca 0.22 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1dgk h LYS 353 Cb 0.27 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1dgk h LYS 353 CO -0.27 -0.18 -0.11 0.93 -2.27 0.00 0.00 179.45 177.55 1dgk h GLU 354 N -0.27 -0.28 -0.12 1.90 5.08 -1.12 0.39 114.58 120.16 1dgk h GLU 354 Ca 0.05 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1dgk h GLU 354 Cb 0.33 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1dgk h GLU 354 CO -0.14 -0.19 -0.11 0.82 -1.00 0.00 0.00 179.01 178.39 1dgk h ILE 355 N -0.29 0.68 -0.16 3.13 2.04 -0.81 -1.05 117.51 121.04 1dgk h ILE 355 Ca -0.03 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 1dgk h ILE 355 Cb 0.23 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1dgk h ILE 355 CO 0.05 0.00 -0.40 -0.07 0.00 0.00 0.00 178.15 177.72 1dgk h LEU 356 N -0.14 0.37 -0.55 1.44 3.38 0.09 -2.53 115.31 117.38 1dgk h LEU 356 Ca 0.08 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1dgk h LEU 356 Cb 0.26 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1dgk h LEU 356 CO -0.20 0.74 0.28 0.74 0.09 0.00 0.00 178.44 180.09 1dgk h THR 357 N 0.29 0.95 0.00 0.22 2.02 -0.52 0.42 112.91 116.29 1dgk h THR 357 Ca 0.03 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1dgk h THR 357 Cb 0.84 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1dgk h THR 357 CO 0.07 0.10 0.00 0.03 0.37 0.00 0.00 175.52 176.09 1dgk h ARG 358 N 0.53 0.00 0.00 6.66 3.08 -0.77 -1.73 114.38 122.15 1dgk h ARG 358 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1dgk h ARG 358 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1dgk h ARG 358 CO -0.17 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.01 1dgk n LEU 359 N -2.67 0.46 0.00 3.04 4.77 0.15 -4.79 117.00 117.95 1dgk n LEU 359 Ca -0.01 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1dgk n LEU 359 Cb 0.15 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1dgk n LEU 359 CO 0.19 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 1dgk n GLY 360 N -0.11 1.07 3.13 -0.72 0.00 -0.65 -3.72 105.19 104.19 1dgk n GLY 360 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1dgk n GLY 360 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dgk n VAL 361 N -1.19 0.00 -3.39 1.61 0.31 -1.22 -4.95 118.33 109.50 1dgk n VAL 361 Ca 0.00 -0.89 -0.26 0.00 -0.01 0.00 0.00 64.34 63.18 1dgk n VAL 361 Cb 0.00 -1.48 -0.09 0.00 -0.91 0.00 0.00 33.84 31.36 1dgk n VAL 361 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1dgk n GLU 362 N -3.12 0.94 -2.17 5.55 1.02 -1.26 -4.42 120.64 117.18 1dgk n GLU 362 Ca 0.13 -3.58 -0.40 0.00 -0.02 0.00 0.00 57.16 53.29 1dgk n GLU 362 Cb 0.47 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1dgk n GLU 362 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1dgk s PRO 363 N -0.96 4.33 0.87 3.49 0.04 -1.26 -4.97 135.00 136.53 1dgk s PRO 363 Ca 0.34 2.13 -0.11 0.00 0.04 0.00 0.00 61.00 63.39 1dgk s PRO 363 Cb 0.09 -3.02 0.16 0.00 0.04 0.00 0.00 34.50 31.77 1dgk s PRO 363 CO -0.14 -0.18 1.21 -1.54 0.04 0.00 0.00 177.00 176.39 1dgk s SER 364 N -0.61 3.69 0.22 6.66 1.04 -1.26 -4.94 113.70 118.50 1dgk s SER 364 Ca 0.50 0.21 -0.03 0.00 0.48 0.00 0.00 55.95 57.11 1dgk s SER 364 Cb -0.38 -0.43 0.21 0.00 0.10 0.00 0.00 66.02 65.52 1dgk s SER 364 CO 0.50 -2.35 1.61 0.44 0.98 0.00 0.00 173.24 174.42 1dgk h ASP 365 N -1.25 0.69 -0.17 7.02 3.32 -2.00 -2.23 116.42 121.80 1dgk h ASP 365 Ca -0.43 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.27 1dgk h ASP 365 Cb 1.26 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1dgk h ASP 365 CO 0.44 0.96 -0.13 0.44 -1.72 0.00 0.00 179.24 179.23 1dgk h ASP 366 N 0.57 0.54 -0.87 6.45 3.45 -2.00 -2.18 116.42 122.38 1dgk h ASP 366 Ca 0.07 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.37 1dgk h ASP 366 Cb 0.81 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.40 1dgk h ASP 366 CO 0.07 0.69 0.51 0.44 -1.57 0.00 0.00 179.24 179.38 1dgk h ASP 367 N 0.51 1.06 -0.65 6.45 3.32 -1.79 -0.95 116.42 124.37 1dgk h ASP 367 Ca 0.09 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1dgk h ASP 367 Cb 0.52 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1dgk h ASP 367 CO 0.03 0.83 0.41 0.00 -1.72 0.00 0.00 179.24 178.79 1dgk h VAL 369 N 0.88 1.22 -0.23 0.00 2.07 -0.88 -1.12 116.25 118.20 1dgk h VAL 369 Ca 0.24 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1dgk h VAL 369 Cb -0.06 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1dgk h VAL 369 CO -0.05 0.22 0.09 0.28 0.02 0.00 0.00 177.57 178.13 1dgk h SER 370 N 0.14 0.11 -0.20 0.57 0.02 -1.05 -0.99 113.55 112.14 1dgk h SER 370 Ca 0.06 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1dgk h SER 370 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1dgk h SER 370 CO 0.00 0.10 0.11 0.58 -1.14 0.00 0.00 176.83 176.48 1dgk h VAL 371 N 0.20 1.11 -0.73 2.27 2.07 -0.87 -1.16 116.25 119.14 1dgk h VAL 371 Ca 0.10 -0.29 0.14 0.00 0.82 0.00 0.00 66.70 67.46 1dgk h VAL 371 Cb 0.05 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1dgk h VAL 371 CO -0.09 0.10 0.28 -0.61 0.02 0.00 0.00 177.57 177.27 1dgk h GLN 372 N 0.22 0.41 -0.11 1.57 4.15 -0.96 0.18 115.11 120.57 1dgk h GLN 372 Ca 0.07 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1dgk h GLN 372 Cb 0.07 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1dgk h GLN 372 CO -0.01 0.27 -0.21 1.25 -1.93 0.00 0.00 178.83 178.20 1dgk h HIS 373 N 0.42 0.21 -0.27 3.99 2.76 -0.52 -0.48 115.15 121.26 1dgk h HIS 373 Ca 0.40 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.42 1dgk h HIS 373 Cb 0.60 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 1dgk h HIS 373 CO -0.18 0.40 -0.29 0.28 -1.30 0.00 0.00 177.93 176.85 1dgk h VAL 374 N 0.18 1.31 -0.64 5.26 2.07 0.48 -1.50 116.25 123.40 1dgk h VAL 374 Ca 0.03 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.13 1dgk h VAL 374 Cb 0.48 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1dgk h VAL 374 CO 0.03 0.46 0.38 0.00 0.02 0.00 0.00 177.57 178.47 1dgk h THR 376 N 0.73 0.81 -0.40 0.00 2.02 -0.92 -0.78 112.91 114.37 1dgk h THR 376 Ca 0.27 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 1dgk h THR 376 Cb 0.09 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1dgk h THR 376 CO -0.14 0.04 -0.02 0.40 0.37 0.00 0.00 175.52 176.18 1dgk h ILE 377 N 0.22 1.26 0.34 3.11 2.04 -0.77 0.14 117.51 123.86 1dgk h ILE 377 Ca 0.19 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1dgk h ILE 377 Cb 0.22 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1dgk h ILE 377 CO -0.24 0.35 -0.16 0.58 0.00 0.00 0.00 178.15 178.68 1dgk h VAL 378 N 0.53 0.67 -0.22 1.67 2.07 -1.11 -0.15 116.25 119.72 1dgk h VAL 378 Ca 0.11 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1dgk h VAL 378 Cb 0.50 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1dgk h VAL 378 CO 0.02 0.09 -0.02 0.77 0.02 0.00 0.00 177.57 178.44 1dgk h SER 379 N -0.70 0.30 0.38 0.57 4.64 -1.13 -1.64 113.55 115.97 1dgk h SER 379 Ca -0.05 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1dgk h SER 379 Cb 0.49 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1dgk h SER 379 CO 0.08 0.38 -0.65 0.15 -0.87 0.00 0.00 176.83 175.91 1dgk h PHE 380 N 0.32 0.33 -0.69 4.77 -0.00 -0.52 -2.46 116.94 118.70 1dgk h PHE 380 Ca 0.07 -0.14 -0.04 0.00 -0.00 0.00 0.00 57.97 57.87 1dgk h PHE 380 Cb 0.26 -0.06 -0.03 0.00 -0.00 0.00 0.00 35.95 36.12 1dgk h PHE 380 CO 0.01 0.83 0.29 -0.09 -0.00 0.00 0.00 178.31 179.35 1dgk h ARG 381 N 0.18 1.03 -0.17 1.11 2.43 -0.09 -0.15 114.38 118.72 1dgk h ARG 381 Ca -0.01 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1dgk h ARG 381 Cb 1.18 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1dgk h ARG 381 CO 0.10 0.85 0.01 1.03 -1.51 0.00 0.00 179.97 180.45 1dgk h SER 382 N 0.98 -0.05 -0.68 -3.80 0.87 -1.29 0.39 113.55 109.97 1dgk h SER 382 Ca 0.23 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1dgk h SER 382 Cb 0.19 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1dgk h SER 382 CO -0.02 0.00 0.45 0.00 -0.53 0.00 0.00 176.83 176.73 1dgk h ALA 383 N 1.14 0.87 -0.64 6.23 0.00 -0.92 -1.86 119.26 124.07 1dgk h ALA 383 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1dgk h ALA 383 Cb 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1dgk h ALA 383 CO -0.13 0.29 0.29 -0.91 0.00 0.00 0.00 179.25 178.80 1dgk h ASN 384 N 0.93 0.85 -0.84 0.00 -0.26 -0.68 -0.88 115.58 114.70 1dgk h ASN 384 Ca 0.25 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 1dgk h ASN 384 Cb -0.11 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 36.90 1dgk h ASN 384 CO -0.05 0.75 0.46 -0.07 -1.06 0.00 0.00 177.43 177.46 1dgk h LEU 385 N 0.88 1.05 -0.41 1.61 3.38 -0.43 -1.01 115.31 120.39 1dgk h LEU 385 Ca 0.22 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1dgk h LEU 385 Cb 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1dgk h LEU 385 CO -0.02 0.85 -0.72 0.58 0.09 0.00 0.00 178.44 179.21 1dgk h VAL 386 N 1.17 1.38 -0.56 1.22 2.07 -1.20 -2.31 116.25 118.02 1dgk h VAL 386 Ca 0.29 -2.13 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 1dgk h VAL 386 Cb 0.04 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1dgk h VAL 386 CO -0.05 0.64 0.34 0.00 0.02 0.00 0.00 177.57 178.53 1dgk h ALA 387 N 0.94 0.71 0.08 1.67 0.00 -0.87 0.27 119.26 122.05 1dgk h ALA 387 Ca -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dgk h ALA 387 Cb 1.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dgk h ALA 387 CO 0.12 0.18 -0.04 0.00 0.00 0.00 0.00 179.25 179.52 1dgk h ALA 388 N 1.17 -0.10 -0.13 0.00 0.00 -0.89 0.10 119.26 119.41 1dgk h ALA 388 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1dgk h ALA 388 Cb -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dgk h ALA 388 CO -0.04 -0.54 0.02 1.79 0.00 0.00 0.00 179.25 180.48 1dgk h THR 389 N -0.14 1.21 -1.00 0.00 1.35 -1.27 -2.52 112.91 110.55 1dgk h THR 389 Ca -0.01 -0.67 0.10 0.00 -0.55 0.00 0.00 66.41 65.28 1dgk h THR 389 Cb 0.11 1.41 -0.08 0.00 -1.73 0.00 0.00 68.15 67.86 1dgk h THR 389 CO 0.02 0.20 0.63 0.25 -0.25 0.00 0.00 175.52 176.37 1dgk h LEU 390 N -0.00 0.96 -0.60 3.87 5.85 -0.37 -1.56 115.31 123.46 1dgk h LEU 390 Ca 0.04 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1dgk h LEU 390 Cb 0.28 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1dgk h LEU 390 CO 0.00 0.55 0.26 1.23 -0.34 0.00 0.00 178.44 180.14 1dgk h GLY 391 N 1.05 0.85 0.50 3.75 0.00 -0.41 -0.37 103.07 108.45 1dgk h GLY 391 Ca 0.47 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.70 1dgk h GLY 391 CO -0.23 0.03 -0.08 0.00 0.00 0.00 0.00 176.54 176.26 1dgk h ALA 392 N 1.38 0.13 -0.42 3.60 0.00 -0.88 0.85 119.26 123.91 1dgk h ALA 392 Ca 0.29 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1dgk h ALA 392 Cb 0.31 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1dgk h ALA 392 CO -0.26 -0.49 0.17 0.82 0.00 0.00 0.00 179.25 179.49 1dgk h ILE 393 N -0.03 0.90 -0.76 0.00 2.04 -1.03 -0.89 117.51 117.74 1dgk h ILE 393 Ca 0.11 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1dgk h ILE 393 Cb 0.20 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1dgk h ILE 393 CO -0.25 0.06 0.49 -0.07 0.00 0.00 0.00 178.15 178.38 1dgk h LEU 394 N 0.35 0.88 -0.61 1.44 3.38 -0.38 -0.14 115.31 120.23 1dgk h LEU 394 Ca 0.19 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1dgk h LEU 394 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1dgk h LEU 394 CO -0.18 0.65 -0.20 0.78 0.09 0.00 0.00 178.44 179.58 1dgk h ASN 395 N 1.03 0.90 -0.23 -0.43 2.35 -0.53 -0.05 115.58 118.62 1dgk h ASN 395 Ca 0.28 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1dgk h ASN 395 Cb -0.10 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 1dgk h ASN 395 CO -0.06 1.08 0.13 -0.09 -1.65 0.00 0.00 177.43 176.84 1dgk h ARG 396 N 0.77 0.32 -0.63 0.81 2.43 -0.47 0.93 114.38 118.53 1dgk h ARG 396 Ca 0.11 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1dgk h ARG 396 Cb 0.74 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1dgk h ARG 396 CO 0.06 0.27 0.39 -0.07 -1.51 0.00 0.00 179.97 179.10 1dgk h LEU 397 N 0.28 0.63 -0.53 3.80 3.38 -0.51 -1.28 115.31 121.08 1dgk h LEU 397 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1dgk h LEU 397 Cb 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1dgk h LEU 397 CO -0.01 0.44 0.34 -0.09 0.09 0.00 0.00 178.44 179.21 1dgk h ARG 398 N 0.76 0.67 -0.79 1.13 2.43 -0.52 -0.76 114.38 117.30 1dgk h ARG 398 Ca 0.25 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1dgk h ARG 398 Cb 0.02 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1dgk h ARG 398 CO -0.10 0.44 0.51 -0.44 -1.51 0.00 0.00 179.97 178.87 1dgk h ASP 399 N 0.69 0.86 -0.37 -3.80 3.45 -0.37 -1.44 116.42 115.45 1dgk h ASP 399 Ca 0.20 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.57 1dgk h ASP 399 Cb -0.05 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.50 1dgk h ASP 399 CO -0.06 0.61 -0.05 0.78 -1.57 0.00 0.00 179.24 178.95 1dgk h ASN 400 N 1.02 0.75 0.72 6.45 2.35 -0.18 -2.87 115.58 123.82 1dgk h ASN 400 Ca 0.31 -0.20 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 1dgk h ASN 400 Cb -0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1dgk h ASN 400 CO -0.09 0.85 -0.86 0.11 -1.65 0.00 0.00 177.43 175.79 1dgk h LYS 401 N 0.72 0.09 -0.01 0.81 1.57 -1.05 -3.48 116.57 115.22 1dgk h LYS 401 Ca 0.13 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1dgk h LYS 401 Cb 0.51 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1dgk h LYS 401 CO 0.03 0.89 -0.00 0.41 -0.57 0.00 0.00 179.45 180.20 1dgk n GLY 402 N 0.87 0.39 3.78 3.86 0.00 -0.55 -5.06 105.19 108.47 1dgk n GLY 402 Ca -0.02 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 1dgk n GLY 402 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dgk s THR 403 N -2.00 3.75 0.16 2.61 -4.23 -1.24 -5.04 115.64 109.64 1dgk s THR 403 Ca 0.00 -1.54 -0.15 0.00 -1.18 0.00 0.00 61.69 58.81 1dgk s THR 403 Cb 0.00 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.71 1dgk s THR 403 CO 0.00 -0.28 1.79 -0.65 -0.54 0.00 0.00 174.62 174.94 1dgk h PRO 404 N 1.51 0.61 -6.50 3.99 0.11 -1.97 -3.44 132.00 126.31 1dgk h PRO 404 Ca -0.46 -0.06 -0.64 0.00 0.11 0.00 0.00 66.00 64.96 1dgk h PRO 404 Cb 1.25 -0.13 -0.16 0.00 0.11 0.00 0.00 31.00 32.07 1dgk h PRO 404 CO 0.60 0.45 -0.76 1.03 -0.21 0.00 0.00 178.00 179.12 1dgk s ARG 405 N -5.98 1.88 -0.11 1.05 0.52 -1.26 -4.91 118.95 110.15 1dgk s ARG 405 Ca -0.13 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1dgk s ARG 405 Cb 0.11 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 1dgk s ARG 405 CO 0.74 0.42 -0.12 -1.17 0.02 0.00 0.00 175.30 175.20 1dgk s LEU 406 N -2.76 2.83 -0.18 2.53 2.96 -0.87 -5.00 118.68 118.19 1dgk s LEU 406 Ca 0.23 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1dgk s LEU 406 Cb -0.09 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 45.00 1dgk s LEU 406 CO 0.13 0.23 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.63 1dgk s ARG 407 N -0.01 2.59 0.15 1.98 3.52 -1.26 0.11 118.95 126.03 1dgk s ARG 407 Ca -0.03 -0.78 -0.20 0.00 -0.13 0.00 0.00 55.73 54.59 1dgk s ARG 407 Cb -0.14 -2.42 0.05 0.00 -1.56 0.00 0.00 34.95 30.88 1dgk s ARG 407 CO 0.04 -0.27 0.52 -0.08 -0.81 0.00 0.00 175.30 174.69 1dgk s THR 408 N 1.35 0.03 -0.08 4.11 -1.32 -0.94 -4.99 115.64 113.80 1dgk s THR 408 Ca 0.03 -0.32 0.04 0.00 -1.21 0.00 0.00 61.69 60.23 1dgk s THR 408 Cb -0.14 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 69.69 1dgk s THR 408 CO -0.11 -0.13 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.09 1dgk s THR 409 N -3.79 2.61 -0.25 5.08 2.01 0.29 -1.97 115.64 119.62 1dgk s THR 409 Ca 0.03 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 1dgk s THR 409 Cb -0.00 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1dgk s THR 409 CO -0.11 0.56 0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 1dgk s VAL 410 N -0.17 4.02 -0.01 3.82 1.01 -0.00 -2.15 120.40 126.92 1dgk s VAL 410 Ca -0.02 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1dgk s VAL 410 Cb -0.14 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1dgk s VAL 410 CO 0.03 0.32 0.67 -0.83 0.00 0.00 0.00 175.10 175.30 1dgk s GLY 411 N 1.56 2.66 0.08 4.51 0.00 -0.65 -1.65 107.32 113.84 1dgk s GLY 411 Ca 0.06 0.13 0.07 0.00 0.00 0.00 0.00 44.72 44.97 1dgk s GLY 411 CO 0.02 0.97 -0.19 0.14 0.00 0.00 0.00 173.10 174.05 1dgk s VAL 412 N 0.16 1.50 0.29 1.40 1.01 -0.47 -0.57 120.40 123.73 1dgk s VAL 412 Ca 0.35 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1dgk s VAL 412 Cb -0.19 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1dgk s VAL 412 CO 0.19 -0.06 0.46 -0.62 0.00 0.00 0.00 175.10 175.07 1dgk s ASP 413 N -1.69 0.37 0.00 3.32 -1.08 -0.63 -0.92 116.67 116.04 1dgk s ASP 413 Ca 0.04 -1.23 0.00 0.00 -0.52 0.00 0.00 52.55 50.84 1dgk s ASP 413 Cb -0.10 0.61 0.00 0.00 -1.46 0.00 0.00 42.92 41.98 1dgk s ASP 413 CO 0.03 -1.21 0.00 0.61 0.52 0.00 0.00 175.17 175.12 1dgk n GLY 414 N -0.46 3.95 0.33 2.66 0.00 -1.26 -1.51 105.19 108.90 1dgk n GLY 414 Ca -0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 1dgk n GLY 414 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dgk h SER 415 N 0.00 0.93 0.11 1.61 0.02 -1.87 -1.65 113.55 112.70 1dgk h SER 415 Ca 0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1dgk h SER 415 Cb 0.00 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 1dgk h SER 415 CO 0.00 0.64 -0.06 0.25 -1.14 0.00 0.00 176.83 176.51 1dgk h LEU 416 N 1.09 -0.16 -0.81 5.07 5.85 -1.80 0.16 115.31 124.71 1dgk h LEU 416 Ca 0.35 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.98 1dgk h LEU 416 Cb 0.01 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1dgk h LEU 416 CO -0.12 -0.11 -0.13 0.22 -0.34 0.00 0.00 178.44 177.97 1dgk h TYR 417 N -0.17 0.83 0.03 1.25 3.20 -1.36 -1.96 116.97 118.79 1dgk h TYR 417 Ca -0.01 -0.16 -0.24 0.00 3.14 0.00 0.00 58.73 61.47 1dgk h TYR 417 Cb 0.14 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1dgk h TYR 417 CO -0.08 0.84 -1.01 0.87 -1.64 0.00 0.00 178.16 177.14 1dgk h LYS 418 N 0.68 0.38 0.00 1.82 1.57 -0.98 -3.40 116.57 116.63 1dgk h LYS 418 Ca 0.11 -0.45 -0.05 0.00 -1.87 0.00 0.00 60.65 58.39 1dgk h LYS 418 Cb 0.61 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1dgk h LYS 418 CO 0.04 1.13 -1.86 0.25 -0.57 0.00 0.00 179.45 178.44 1dgk n THR 419 N -3.70 0.19 -2.09 -0.16 -2.24 0.55 -4.96 114.28 101.86 1dgk n THR 419 Ca -0.07 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 60.85 1dgk n THR 419 Cb 0.88 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 1dgk n THR 419 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1dgk s HIS 420 N -3.08 3.09 0.22 4.78 2.46 -0.74 -4.90 115.29 117.12 1dgk s HIS 420 Ca -0.07 1.17 0.34 0.00 0.47 0.00 0.00 55.06 56.97 1dgk s HIS 420 Cb 0.10 -3.73 1.49 0.00 -0.13 0.00 0.00 32.58 30.31 1dgk s HIS 420 CO 0.72 -2.26 2.03 -1.00 -2.47 0.00 0.00 174.74 171.76 1dgk h PRO 421 N 4.76 0.00 0.00 2.88 0.13 -1.90 -3.35 132.00 134.52 1dgk h PRO 421 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1dgk h PRO 421 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1dgk h PRO 421 CO 0.75 0.03 -0.83 1.04 -0.23 0.00 0.00 178.00 178.77 1dgk n GLN 422 N -3.16 1.79 0.06 0.86 1.13 -1.26 -4.91 117.38 111.88 1dgk n GLN 422 Ca -0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.92 1dgk n GLN 422 Cb 0.28 -0.91 -0.08 0.00 0.11 0.00 0.00 30.24 29.63 1dgk n GLN 422 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1dgk h TYR 423 N 0.00 -1.32 -1.00 1.08 3.20 -1.91 -2.12 116.97 114.89 1dgk h TYR 423 Ca 0.00 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1dgk h TYR 423 Cb 0.27 0.57 -0.08 0.00 1.54 0.00 0.00 36.73 39.03 1dgk h TYR 423 CO 0.00 -0.49 0.63 0.66 -1.64 0.00 0.00 178.16 177.33 1dgk h SER 424 N -0.58 0.95 -0.08 -2.11 4.64 -1.82 0.36 113.55 114.91 1dgk h SER 424 Ca 0.01 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1dgk h SER 424 Cb 0.61 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 1dgk h SER 424 CO -0.29 0.52 -0.07 -0.09 -0.87 0.00 0.00 176.83 176.04 1dgk h ARG 425 N 1.03 -0.08 -0.46 4.77 2.43 -1.86 0.04 114.38 120.25 1dgk h ARG 425 Ca 0.49 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.61 1dgk h ARG 425 Cb 0.43 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1dgk h ARG 425 CO -0.25 -0.05 0.07 0.00 -1.51 0.00 0.00 179.97 178.23 1dgk h ARG 426 N -0.08 0.76 0.08 0.20 3.08 -0.59 -2.09 114.38 115.74 1dgk h ARG 426 Ca 0.06 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1dgk h ARG 426 Cb 0.16 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1dgk h ARG 426 CO -0.13 0.78 -0.17 0.35 -1.07 0.00 0.00 179.97 179.73 1dgk h PHE 427 N 0.62 -0.45 -0.51 3.04 3.04 -0.85 -1.45 116.94 120.39 1dgk h PHE 427 Ca 0.14 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.17 1dgk h PHE 427 Cb 0.39 0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.03 1dgk h PHE 427 CO 0.03 -0.25 0.19 0.45 -2.02 0.00 0.00 178.31 176.70 1dgk h HIS 428 N -0.32 0.33 0.27 0.41 3.86 -0.86 -0.56 115.15 118.29 1dgk h HIS 428 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1dgk h HIS 428 Cb 0.35 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1dgk h HIS 428 CO -0.19 0.11 -0.31 -0.22 0.86 0.00 0.00 177.93 178.19 1dgk h LYS 429 N 0.37 -0.60 -0.55 2.45 3.64 -1.02 -0.50 116.57 120.35 1dgk h LYS 429 Ca 0.24 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1dgk h LYS 429 Cb 0.25 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1dgk h LYS 429 CO -0.24 -0.40 0.34 1.15 -2.27 0.00 0.00 179.45 178.03 1dgk h THR 430 N -0.62 1.09 -0.10 1.00 2.02 -1.10 -0.69 112.91 114.50 1dgk h THR 430 Ca -0.01 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1dgk h THR 430 Cb 0.58 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1dgk h THR 430 CO -0.08 0.13 -0.10 0.25 0.37 0.00 0.00 175.52 176.08 1dgk h LEU 431 N 0.69 -0.32 -1.25 2.58 5.85 -0.83 0.50 115.31 122.53 1dgk h LEU 431 Ca 0.22 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1dgk h LEU 431 Cb -0.01 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1dgk h LEU 431 CO -0.08 -0.14 0.14 0.03 -0.34 0.00 0.00 178.44 178.05 1dgk h ARG 432 N -0.13 0.66 -0.70 1.25 3.08 -0.84 -1.46 114.38 116.23 1dgk h ARG 432 Ca 0.07 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1dgk h ARG 432 Cb 0.24 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1dgk h ARG 432 CO -0.18 0.58 0.20 -0.09 -1.07 0.00 0.00 179.97 179.40 1dgk h ARG 433 N 0.65 1.10 0.00 0.04 2.43 -0.36 -3.08 114.38 115.16 1dgk h ARG 433 Ca 0.15 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1dgk h ARG 433 Cb 0.19 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1dgk h ARG 433 CO -0.01 0.96 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.19 1dgk h LEU 434 N 1.04 0.00 -6.50 3.80 3.38 -0.20 -3.33 115.31 113.49 1dgk h LEU 434 Ca 0.22 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.59 1dgk h LEU 434 Cb 0.33 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.68 1dgk h LEU 434 CO -0.00 0.16 -0.74 0.52 0.09 0.00 0.00 178.44 178.46 1dgk n VAL 435 N -3.18 0.95 0.35 1.22 0.31 -0.62 -4.93 118.33 112.43 1dgk n VAL 435 Ca 0.02 -4.57 0.14 0.00 -0.01 0.00 0.00 64.34 59.93 1dgk n VAL 435 Cb 0.51 -2.02 0.56 0.00 -0.91 0.00 0.00 33.84 31.98 1dgk n VAL 435 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1dgk h PRO 436 N 4.84 0.00 -0.00 5.55 0.13 -1.66 -2.82 132.00 138.03 1dgk h PRO 436 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1dgk h PRO 436 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1dgk h PRO 436 CO 0.65 0.00 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.12 1dgk n ASP 437 N -2.65 0.17 -4.73 1.44 8.00 -1.26 -4.87 116.55 112.66 1dgk n ASP 437 Ca 0.02 -0.31 -0.33 0.00 0.71 0.00 0.00 54.79 54.88 1dgk n ASP 437 Cb 0.28 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 1dgk n ASP 437 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1dgk s SER 438 N -2.54 5.37 -0.57 -2.24 1.04 -1.07 -2.05 113.70 111.65 1dgk s SER 438 Ca 0.29 0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.70 1dgk s SER 438 Cb 0.20 -1.47 0.15 0.00 0.10 0.00 0.00 66.02 65.00 1dgk s SER 438 CO 0.47 0.28 0.44 -1.81 0.98 0.00 0.00 173.24 173.60 1dgk s ASP 439 N -1.60 5.78 -0.13 7.02 1.11 0.31 -4.90 116.67 124.26 1dgk s ASP 439 Ca 0.21 -2.27 -0.03 0.00 0.18 0.00 0.00 52.55 50.64 1dgk s ASP 439 Cb -0.12 -2.01 -0.03 0.00 1.07 0.00 0.00 42.92 41.84 1dgk s ASP 439 CO 0.11 -0.60 -0.03 -0.69 1.18 0.00 0.00 175.17 175.15 1dgk s VAL 440 N 0.82 4.00 -0.12 -1.27 1.01 -1.26 -2.22 120.40 121.36 1dgk s VAL 440 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1dgk s VAL 440 Cb -0.22 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1dgk s VAL 440 CO -0.03 0.53 -0.01 -0.60 0.00 0.00 0.00 175.10 175.00 1dgk s ARG 441 N -0.11 3.33 -0.21 2.72 3.52 -0.83 -5.01 118.95 122.35 1dgk s ARG 441 Ca 0.03 -0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1dgk s ARG 441 Cb -0.13 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1dgk s ARG 441 CO 0.02 0.49 0.02 -0.06 -0.81 0.00 0.00 175.30 174.97 1dgk s PHE 442 N -0.31 3.06 -0.21 5.12 0.40 -1.26 -0.82 117.98 123.96 1dgk s PHE 442 Ca 0.06 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1dgk s PHE 442 Cb -0.12 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.29 1dgk s PHE 442 CO 0.02 -0.28 -0.11 -1.17 0.70 0.00 0.00 175.22 174.38 1dgk s LEU 443 N 1.18 2.65 0.25 -0.37 2.96 -0.66 -4.97 118.68 119.73 1dgk s LEU 443 Ca 0.03 -0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 53.03 1dgk s LEU 443 Cb -0.14 -1.61 -0.09 0.00 0.50 0.00 0.00 46.19 44.84 1dgk s LEU 443 CO 0.02 -0.04 1.10 -0.22 -1.32 0.00 0.00 176.35 175.89 1dgk s LEU 444 N 1.36 4.53 -0.96 -0.68 2.96 -1.26 -1.36 118.68 123.27 1dgk s LEU 444 Ca 0.04 2.22 -0.20 0.00 -0.22 0.00 0.00 54.13 55.97 1dgk s LEU 444 Cb -0.14 -3.62 0.10 0.00 0.50 0.00 0.00 46.19 43.03 1dgk s LEU 444 CO -0.08 -0.17 1.25 -0.55 -1.32 0.00 0.00 176.35 175.49 1dgk s SER 445 N -0.64 6.58 0.42 3.68 0.15 -0.10 -4.85 113.70 118.94 1dgk s SER 445 Ca 0.46 -1.81 0.23 0.00 0.70 0.00 0.00 55.95 55.53 1dgk s SER 445 Cb -0.31 -2.47 0.54 0.00 -1.71 0.00 0.00 66.02 62.07 1dgk s SER 445 CO 0.39 -1.24 1.67 -0.33 1.20 0.00 0.00 173.24 174.93 1dgk h GLU 446 N 9.21 0.00 -0.00 5.44 5.08 -1.92 -3.18 114.58 129.21 1dgk h GLU 446 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1dgk h GLU 446 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1dgk h GLU 446 CO 1.23 0.16 -0.30 0.43 -1.00 0.00 0.00 179.01 179.53 1dgk n SER 447 N -3.18 0.63 0.00 1.42 7.64 -1.26 -5.08 113.62 113.79 1dgk n SER 447 Ca 0.02 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1dgk n SER 447 Cb 0.53 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1dgk n SER 447 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dgk n GLY 448 N 1.41 -1.00 0.26 0.23 0.00 -1.20 -4.55 105.19 100.34 1dgk n GLY 448 Ca 0.09 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.56 1dgk n GLY 448 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1dgk h SER 449 N 0.00 0.00 -0.89 1.61 0.87 -1.90 -3.27 113.55 109.97 1dgk h SER 449 Ca 0.00 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.72 1dgk h SER 449 Cb 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.86 1dgk h SER 449 CO 0.00 0.04 0.48 1.23 -0.53 0.00 0.00 176.83 178.05 1dgk h GLY 450 N 0.13 1.49 0.99 5.77 0.00 -1.90 0.18 103.07 109.72 1dgk h GLY 450 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1dgk h GLY 450 CO 0.00 -0.04 0.22 1.70 0.00 0.00 0.00 176.54 178.42 1dgk h LYS 451 N 0.66 0.46 -0.17 4.80 3.64 -1.80 0.15 116.57 124.32 1dgk h LYS 451 Ca 0.49 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 1dgk h LYS 451 Cb 0.72 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1dgk h LYS 451 CO -0.37 0.33 0.07 0.78 -2.27 0.00 0.00 179.45 177.99 1dgk h GLY 452 N 0.45 0.27 0.33 5.01 0.00 -1.54 -2.44 103.07 105.15 1dgk h GLY 452 Ca 0.12 -0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.41 1dgk h GLY 452 CO -0.03 0.14 0.22 0.00 0.00 0.00 0.00 176.54 176.87 1dgk h ALA 453 N 0.91 0.80 -0.86 3.60 0.00 -0.43 -0.80 119.26 122.48 1dgk h ALA 453 Ca 0.06 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1dgk h ALA 453 Cb 0.17 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1dgk h ALA 453 CO -0.00 -0.21 0.57 0.00 0.00 0.00 0.00 179.25 179.60 1dgk h ALA 454 N 1.44 1.52 -0.58 0.00 0.00 -0.64 0.26 119.26 121.25 1dgk h ALA 454 Ca 0.32 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1dgk h ALA 454 Cb 0.42 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dgk h ALA 454 CO -0.33 0.37 0.07 0.52 0.00 0.00 0.00 179.25 179.88 1dgk h MET 455 N 1.01 0.98 -0.12 0.00 2.86 -0.69 0.03 114.93 119.01 1dgk h MET 455 Ca 0.36 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1dgk h MET 455 Cb 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1dgk h MET 455 CO -0.12 0.94 0.05 0.28 1.06 0.00 0.00 176.91 179.12 1dgk h VAL 456 N 0.88 1.13 -0.25 -2.22 2.07 -0.99 -3.05 116.25 113.82 1dgk h VAL 456 Ca 0.17 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1dgk h VAL 456 Cb 0.45 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1dgk h VAL 456 CO 0.02 0.12 -0.02 0.74 0.02 0.00 0.00 177.57 178.45 1dgk h THR 457 N 0.05 0.80 -0.55 2.57 2.02 -0.27 0.15 112.91 117.68 1dgk h THR 457 Ca 0.04 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.31 1dgk h THR 457 Cb 0.14 0.74 -0.10 0.00 -1.74 0.00 0.00 68.15 67.20 1dgk h THR 457 CO -0.00 0.01 -0.10 0.00 0.37 0.00 0.00 175.52 175.80 1dgk h ALA 458 N 1.22 0.41 -0.14 6.16 0.00 -1.00 0.22 119.26 126.13 1dgk h ALA 458 Ca 0.12 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1dgk h ALA 458 Cb 0.16 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1dgk h ALA 458 CO -0.21 -0.43 -0.08 0.28 0.00 0.00 0.00 179.25 178.80 1dgk h VAL 459 N 0.03 1.32 -0.58 0.00 2.07 -1.24 -2.35 116.25 115.51 1dgk h VAL 459 Ca 0.27 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 66.72 1dgk h VAL 459 Cb 0.41 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 1dgk h VAL 459 CO -0.54 0.34 0.21 0.00 0.02 0.00 0.00 177.57 177.60 1dgk h ALA 460 N 0.65 0.74 -0.36 1.67 0.00 -0.44 -1.78 119.26 119.74 1dgk h ALA 460 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1dgk h ALA 460 Cb 0.57 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1dgk h ALA 460 CO 0.02 -0.20 0.18 -0.92 0.00 0.00 0.00 179.25 178.33 1dgk h TYR 461 N 0.39 0.50 -0.76 0.00 3.20 -0.51 0.55 116.97 120.35 1dgk h TYR 461 Ca 0.29 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.21 1dgk h TYR 461 Cb 0.35 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1dgk h TYR 461 CO -0.17 0.42 0.44 -0.09 -1.64 0.00 0.00 178.16 177.12 1dgk h ARG 462 N 0.44 0.77 -0.23 1.82 2.43 -0.85 -1.69 114.38 117.07 1dgk h ARG 462 Ca 0.12 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 1dgk h ARG 462 Cb 0.10 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1dgk h ARG 462 CO -0.02 0.51 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.34 1dgk h LEU 463 N 0.80 0.78 -1.34 3.80 3.38 -1.01 -2.75 115.31 118.98 1dgk h LEU 463 Ca 0.34 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1dgk h LEU 463 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1dgk h LEU 463 CO -0.19 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.52 1dgk h ALA 464 N 0.84 1.47 -0.26 1.53 0.00 -0.32 -0.07 119.26 122.45 1dgk h ALA 464 Ca 0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1dgk h ALA 464 Cb 1.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dgk h ALA 464 CO 0.11 0.38 -0.37 0.93 0.00 0.00 0.00 179.25 180.31 1dgk h GLU 465 N 0.43 0.71 -0.50 0.00 4.39 -1.25 -2.15 114.58 116.21 1dgk h GLU 465 Ca 0.10 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1dgk h GLU 465 Cb 0.28 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1dgk h GLU 465 CO 0.01 1.03 0.22 0.37 -1.16 0.00 0.00 179.01 179.48 1dgk h GLN 466 N 0.44 0.73 -0.78 2.33 4.15 -1.11 -2.60 115.11 118.28 1dgk h GLN 466 Ca 0.03 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1dgk h GLN 466 Cb 0.96 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 1dgk h GLN 466 CO 0.09 0.63 0.28 0.45 -1.93 0.00 0.00 178.83 178.35 1dgk h HIS 467 N 0.67 1.21 -0.40 3.99 3.86 -1.05 -1.24 115.15 122.18 1dgk h HIS 467 Ca 0.17 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1dgk h HIS 467 Cb 0.16 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1dgk h HIS 467 CO -0.00 0.93 0.26 -0.09 0.86 0.00 0.00 177.93 179.89 1dgk h ARG 468 N 1.14 0.51 -0.31 2.45 2.43 -1.14 0.47 114.38 119.91 1dgk h ARG 468 Ca 0.26 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1dgk h ARG 468 Cb 0.26 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1dgk h ARG 468 CO -0.02 0.33 -0.06 1.96 -1.51 0.00 0.00 179.97 180.68 1dgk h GLN 469 N 0.52 0.60 -0.27 0.20 4.20 -1.20 -1.00 115.11 118.16 1dgk h GLN 469 Ca 0.15 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.67 1dgk h GLN 469 Cb -0.03 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1dgk h GLN 469 CO -0.05 0.77 0.08 0.82 -0.67 0.00 0.00 178.83 179.78 1dgk h ILE 470 N 0.37 0.91 0.08 2.54 2.04 -0.93 -1.40 117.51 121.13 1dgk h ILE 470 Ca 0.08 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1dgk h ILE 470 Cb 0.54 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1dgk h ILE 470 CO 0.03 0.04 -0.14 -0.33 0.00 0.00 0.00 178.15 177.74 1dgk h GLU 471 N 0.20 -0.27 -0.60 2.37 4.39 -0.85 0.04 114.58 119.85 1dgk h GLU 471 Ca 0.12 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.94 1dgk h GLU 471 Cb 0.10 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.73 1dgk h GLU 471 CO -0.13 -0.18 0.17 1.49 -1.16 0.00 0.00 179.01 179.20 1dgk h GLU 472 N -0.28 0.31 0.46 2.33 4.81 -0.80 0.34 114.58 121.76 1dgk h GLU 472 Ca 0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1dgk h GLU 472 Cb 0.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1dgk h GLU 472 CO -0.08 0.21 -0.42 1.15 -0.73 0.00 0.00 179.01 179.14 1dgk h THR 473 N 0.32 0.16 0.00 0.32 2.02 -0.95 -2.97 112.91 111.81 1dgk h THR 473 Ca 0.31 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 1dgk h THR 473 Cb 0.43 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1dgk h THR 473 CO -0.36 0.00 -0.08 -0.07 0.37 0.00 0.00 175.52 175.38 1dgk h LEU 474 N -0.88 0.00 -2.27 2.58 3.38 -0.29 -2.27 115.31 115.56 1dgk h LEU 474 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1dgk h LEU 474 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1dgk h LEU 474 CO -0.04 0.08 -0.05 0.00 0.09 0.00 0.00 178.44 178.52 1dgk h ALA 475 N 1.92 1.32 0.00 1.53 0.00 -0.17 -0.92 119.26 122.94 1dgk h ALA 475 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1dgk h ALA 475 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1dgk h ALA 475 CO 0.01 0.06 -0.16 0.45 0.00 0.00 0.00 179.25 179.62 1dgk h HIS 476 N 0.00 0.00 0.00 0.00 3.86 -1.50 -2.25 115.15 115.26 1dgk h HIS 476 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1dgk h HIS 476 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1dgk h HIS 476 CO 0.00 0.16 -0.40 1.19 0.86 0.00 0.00 177.93 179.74 1dgk n PHE 477 N -3.82 0.29 -2.29 2.45 3.01 -0.35 -4.88 117.46 111.87 1dgk n PHE 477 Ca -0.02 0.08 -0.42 0.00 1.01 0.00 0.00 57.45 58.11 1dgk n PHE 477 Cb 0.26 -0.51 -0.03 0.00 -0.01 0.00 0.00 39.48 39.19 1dgk n PHE 477 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1dgk s HIS 478 N -3.07 3.33 -0.16 1.38 2.46 -0.85 -4.75 115.29 113.64 1dgk s HIS 478 Ca 0.10 1.16 0.01 0.00 0.47 0.00 0.00 55.06 56.80 1dgk s HIS 478 Cb 0.16 -3.55 0.01 0.00 -0.13 0.00 0.00 32.58 29.06 1dgk s HIS 478 CO 0.66 -1.81 -0.19 -0.51 -2.47 0.00 0.00 174.74 170.43 1dgk s LEU 479 N 0.79 2.26 0.78 8.88 1.43 -1.26 -5.06 118.68 126.49 1dgk s LEU 479 Ca 0.60 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 1dgk s LEU 479 Cb -0.34 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.44 1dgk s LEU 479 CO 0.32 0.05 1.11 0.42 0.23 0.00 0.00 176.35 178.48 1dgk s THR 480 N 1.02 2.93 0.15 5.49 -4.23 -1.26 -4.84 115.64 114.91 1dgk s THR 480 Ca -0.02 0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 60.62 1dgk s THR 480 Cb -0.15 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.55 1dgk s THR 480 CO -0.05 -0.40 1.71 0.50 -0.54 0.00 0.00 174.62 175.84 1dgk h LYS 481 N -0.97 0.09 -0.67 3.99 3.64 -1.99 -0.35 116.57 120.29 1dgk h LYS 481 Ca -0.46 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1dgk h LYS 481 Cb 1.28 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1dgk h LYS 481 CO 0.62 0.06 0.44 -0.44 -2.27 0.00 0.00 179.45 177.87 1dgk h ASP 482 N 0.09 0.70 -0.25 4.20 3.32 -1.99 0.29 116.42 122.79 1dgk h ASP 482 Ca 0.16 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1dgk h ASP 482 Cb 0.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1dgk h ASP 482 CO -0.27 0.49 -0.06 0.24 -1.72 0.00 0.00 179.24 177.92 1dgk h MET 483 N 0.82 0.47 -0.88 3.56 2.86 -1.64 -2.09 114.93 118.03 1dgk h MET 483 Ca 0.27 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1dgk h MET 483 Cb 0.05 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1dgk h MET 483 CO -0.07 0.70 0.52 -0.07 1.06 0.00 0.00 176.91 179.04 1dgk h LEU 484 N 0.22 1.06 -1.63 1.22 3.38 0.23 0.29 115.31 120.08 1dgk h LEU 484 Ca 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1dgk h LEU 484 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1dgk h LEU 484 CO 0.02 0.83 0.10 -0.07 0.09 0.00 0.00 178.44 179.41 1dgk h LEU 485 N 1.21 0.30 -0.37 1.67 3.38 -0.38 -0.00 115.31 121.12 1dgk h LEU 485 Ca 0.31 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 1dgk h LEU 485 Cb -0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1dgk h LEU 485 CO -0.06 0.28 -0.73 -0.08 0.09 0.00 0.00 178.44 177.94 1dgk h GLU 486 N 0.34 0.47 -0.56 1.13 4.57 -0.45 -0.32 114.58 119.77 1dgk h GLU 486 Ca 0.09 -0.38 -0.04 0.00 -1.18 0.00 0.00 59.36 57.84 1dgk h GLU 486 Cb 0.08 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1dgk h GLU 486 CO -0.01 1.01 0.19 0.28 -1.18 0.00 0.00 179.01 179.31 1dgk h VAL 487 N 0.32 1.23 -0.11 0.32 2.07 -0.25 -1.20 116.25 118.64 1dgk h VAL 487 Ca -0.03 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1dgk h VAL 487 Cb 1.31 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1dgk h VAL 487 CO 0.13 0.29 -0.08 0.50 0.02 0.00 0.00 177.57 178.42 1dgk h LYS 488 N 0.77 -0.09 -0.59 1.57 3.64 -0.83 0.10 116.57 121.14 1dgk h LYS 488 Ca 0.18 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1dgk h LYS 488 Cb 0.25 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1dgk h LYS 488 CO -0.01 -0.06 0.35 -0.22 -2.27 0.00 0.00 179.45 177.24 1dgk h LYS 489 N -0.09 0.66 -0.52 1.90 3.64 -0.82 -1.40 116.57 119.93 1dgk h LYS 489 Ca 0.07 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1dgk h LYS 489 Cb 0.20 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1dgk h LYS 489 CO -0.17 0.43 0.19 0.00 -2.27 0.00 0.00 179.45 177.64 1dgk h ARG 490 N 0.68 0.79 -0.97 1.90 3.08 -0.67 -0.73 114.38 118.45 1dgk h ARG 490 Ca 0.25 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.19 1dgk h ARG 490 Cb 0.07 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 1dgk h ARG 490 CO -0.13 0.71 0.63 1.98 -1.07 0.00 0.00 179.97 182.10 1dgk h MET 491 N 0.71 1.17 -0.44 0.04 4.05 -0.29 0.48 114.93 120.64 1dgk h MET 491 Ca 0.17 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1dgk h MET 491 Cb 0.22 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1dgk h MET 491 CO -0.01 0.77 0.20 -0.09 0.23 0.00 0.00 176.91 178.02 1dgk h ARG 492 N 1.20 0.64 -0.37 0.39 9.65 -0.95 0.68 114.38 125.63 1dgk h ARG 492 Ca 0.40 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 59.19 1dgk h ARG 492 Cb 0.04 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1dgk h ARG 492 CO -0.14 0.55 0.23 0.00 2.80 0.00 0.00 179.97 183.42 1dgk h ALA 493 N 1.05 0.46 -0.04 2.80 0.00 0.18 -0.73 119.26 123.00 1dgk h ALA 493 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1dgk h ALA 493 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1dgk h ALA 493 CO -0.02 -0.10 -0.20 0.93 0.00 0.00 0.00 179.25 179.86 1dgk h GLU 494 N 0.47 0.06 -0.36 0.00 4.39 -0.66 -1.75 114.58 116.73 1dgk h GLU 494 Ca 0.14 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1dgk h GLU 494 Cb -0.03 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1dgk h GLU 494 CO -0.04 0.26 0.15 0.52 -1.16 0.00 0.00 179.01 178.74 1dgk h MET 495 N 0.05 0.53 -0.46 2.33 2.86 0.49 -1.57 114.93 119.17 1dgk h MET 495 Ca 0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1dgk h MET 495 Cb 0.39 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1dgk h MET 495 CO 0.03 0.50 0.25 0.93 1.06 0.00 0.00 176.91 179.68 1dgk h GLU 496 N 0.44 0.64 -0.73 1.72 4.39 -0.65 -1.70 114.58 118.68 1dgk h GLU 496 Ca 0.12 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.82 1dgk h GLU 496 Cb 0.16 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1dgk h GLU 496 CO -0.01 0.51 0.41 -0.07 -1.16 0.00 0.00 179.01 178.68 1dgk h LEU 497 N 0.60 0.58 -0.70 1.33 3.38 -0.99 -2.32 115.31 117.20 1dgk h LEU 497 Ca 0.16 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1dgk h LEU 497 Cb 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1dgk h LEU 497 CO -0.03 0.36 -0.62 1.23 0.09 0.00 0.00 178.44 179.47 1dgk h GLY 498 N 0.72 0.10 2.00 0.83 0.00 -0.71 -2.88 103.07 103.12 1dgk h GLY 498 Ca 0.34 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.42 1dgk h GLY 498 CO -0.22 0.11 -0.61 1.41 0.00 0.00 0.00 176.54 177.23 1dgk h LEU 499 N 0.06 0.00 -9.63 3.11 3.38 -0.79 -3.41 115.31 108.03 1dgk h LEU 499 Ca -0.01 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1dgk h LEU 499 Cb 1.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1dgk h LEU 499 CO 0.09 0.61 0.28 -0.13 0.09 0.00 0.00 178.44 179.38 1dgk s ARG 500 N -3.32 4.66 0.12 1.13 0.52 -1.00 -2.69 118.95 118.37 1dgk s ARG 500 Ca 0.00 1.32 -0.22 0.00 -0.52 0.00 0.00 55.73 56.31 1dgk s ARG 500 Cb 0.11 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 1dgk s ARG 500 CO 0.75 0.36 1.69 -0.22 0.02 0.00 0.00 175.30 177.90 1dgk h LYS 501 N 5.05 -0.12 -0.37 3.54 3.64 -1.87 0.47 116.57 126.91 1dgk h LYS 501 Ca -0.44 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.02 1dgk h LYS 501 Cb 1.21 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 1dgk h LYS 501 CO 0.70 -0.08 -0.24 0.37 -2.27 0.00 0.00 179.45 177.93 1dgk h GLN 502 N -0.12 -0.17 -0.01 1.90 4.15 -1.94 -3.12 115.11 115.79 1dgk h GLN 502 Ca 0.07 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1dgk h GLN 502 Cb 0.22 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1dgk h GLN 502 CO -0.17 -0.11 -0.51 0.25 -1.93 0.00 0.00 178.83 176.36 1dgk n THR 503 N -5.39 0.00 -0.32 2.39 -2.24 -0.94 -4.65 114.28 103.13 1dgk n THR 503 Ca 0.01 -0.25 0.06 0.00 -2.27 0.00 0.00 64.05 61.61 1dgk n THR 503 Cb 0.30 1.22 0.21 0.00 -2.10 0.00 0.00 70.33 69.97 1dgk n THR 503 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1dgk h HIS 504 N 2.11 0.93 0.00 4.78 -0.00 0.17 -2.67 115.15 120.47 1dgk h HIS 504 Ca 0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 1dgk h HIS 504 Cb 0.70 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1dgk h HIS 504 CO 0.00 0.33 -0.24 -0.91 -0.00 0.00 0.00 177.93 177.11 1dgk h ASN 505 N 0.81 0.00 -0.38 3.26 2.35 -1.83 -2.83 115.58 116.95 1dgk h ASN 505 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1dgk h ASN 505 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1dgk h ASN 505 CO -0.29 0.24 0.00 0.59 -1.65 0.00 0.00 177.43 176.32 1dgk n ASN 506 N -4.22 3.25 -4.73 5.81 5.03 -1.03 -4.97 115.26 114.40 1dgk n ASN 506 Ca -0.02 -2.17 -0.41 0.00 0.87 0.00 0.00 54.58 52.84 1dgk n ASN 506 Cb 0.29 -0.32 -0.04 0.00 -1.02 0.00 0.00 39.78 38.70 1dgk n ASN 506 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dgk s ALA 507 N -1.31 3.32 -0.16 5.41 0.00 -1.07 -4.95 121.76 123.01 1dgk s ALA 507 Ca 0.30 0.74 0.17 0.00 0.00 0.00 0.00 51.96 53.17 1dgk s ALA 507 Cb 0.18 -3.35 0.21 0.00 0.00 0.00 0.00 23.12 20.16 1dgk s ALA 507 CO 0.17 -0.20 1.52 -0.39 0.00 0.00 0.00 175.76 176.85 1dgk h VAL 508 N 4.03 0.70 -3.20 0.00 -1.51 -1.91 -3.38 116.25 110.99 1dgk h VAL 508 Ca -0.43 -1.91 -0.76 0.00 -1.23 0.00 0.00 66.70 62.37 1dgk h VAL 508 Cb 1.21 2.28 -0.25 0.00 -2.13 0.00 0.00 31.29 32.40 1dgk h VAL 508 CO 0.74 0.39 -0.21 -0.69 -1.23 0.00 0.00 177.57 176.57 1dgk s VAL 509 N -3.09 5.10 0.52 7.19 1.01 -1.26 -4.59 120.40 125.29 1dgk s VAL 509 Ca 0.04 -1.65 0.25 0.00 0.00 0.00 0.00 61.98 60.62 1dgk s VAL 509 Cb 0.08 -4.27 0.30 0.00 0.00 0.00 0.00 36.38 32.49 1dgk s VAL 509 CO 0.72 -0.87 2.16 0.11 0.00 0.00 0.00 175.10 177.22 1dgk h LYS 510 N 8.70 0.00 -5.76 2.72 1.57 -1.73 -3.34 116.57 118.72 1dgk h LYS 510 Ca -0.24 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.20 1dgk h LYS 510 Cb 1.09 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.54 1dgk h LYS 510 CO 0.98 0.05 -0.85 -1.33 -0.57 0.00 0.00 179.45 177.74 1dgk n MET 511 N -3.97 -3.65 -2.72 3.15 2.81 -0.79 -4.66 117.12 107.29 1dgk n MET 511 Ca -0.03 0.74 -0.42 0.00 -1.81 0.00 0.00 57.70 56.18 1dgk n MET 511 Cb 0.14 -5.42 -0.03 0.00 -0.71 0.00 0.00 33.22 27.21 1dgk n MET 511 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dgk s LEU 512 N -6.07 4.27 0.40 4.03 1.43 -0.32 -4.74 118.68 117.68 1dgk s LEU 512 Ca 0.26 1.51 -0.27 0.00 -1.03 0.00 0.00 54.13 54.60 1dgk s LEU 512 Cb -0.05 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 1dgk s LEU 512 CO 0.77 -0.39 1.41 -2.84 0.23 0.00 0.00 176.35 175.53 1dgk s PRO 513 N 1.79 3.95 -0.01 1.29 0.02 -1.26 0.57 135.00 141.34 1dgk s PRO 513 Ca 0.48 2.40 0.15 0.00 0.02 0.00 0.00 61.00 64.05 1dgk s PRO 513 Cb -0.19 -2.83 -0.20 0.00 0.02 0.00 0.00 34.50 31.31 1dgk s PRO 513 CO 0.19 -0.60 0.43 -1.13 -0.33 0.00 0.00 177.00 175.57 1dgk n SER 514 N 0.19 1.27 -0.54 2.53 3.41 -0.79 -4.44 113.62 115.25 1dgk n SER 514 Ca 0.03 -0.30 -0.07 0.00 -0.26 0.00 0.00 58.87 58.26 1dgk n SER 514 Cb 0.41 1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 65.76 1dgk n SER 514 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dgk n PHE 515 N -1.77 0.00 -3.39 7.33 3.01 -1.26 -4.63 117.46 116.75 1dgk n PHE 515 Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 1dgk n PHE 515 Cb 0.33 -1.67 -0.09 0.00 -0.01 0.00 0.00 39.48 38.04 1dgk n PHE 515 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1dgk s VAL 516 N -2.11 5.19 -0.95 -4.37 1.01 -1.26 -4.70 120.40 113.20 1dgk s VAL 516 Ca 0.00 -0.63 0.23 0.00 0.00 0.00 0.00 61.98 61.58 1dgk s VAL 516 Cb 0.00 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1dgk s VAL 516 CO 0.00 -0.41 1.16 0.54 0.00 0.00 0.00 175.10 176.38 1dgk n ARG 517 N 5.34 0.03 -3.70 2.72 1.74 -1.26 -0.92 116.66 120.61 1dgk n ARG 517 Ca -0.10 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 1dgk n ARG 517 Cb 0.46 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 1dgk n ARG 517 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1dgk s ARG 518 N -3.02 0.99 0.81 5.56 1.70 -1.26 -4.25 118.95 119.47 1dgk s ARG 518 Ca 0.09 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 54.47 1dgk s ARG 518 Cb 0.17 0.43 0.08 0.00 -0.57 0.00 0.00 34.95 35.05 1dgk s ARG 518 CO 0.78 -0.36 1.17 0.95 -1.08 0.00 0.00 175.30 176.76 1dgk s THR 519 N -3.71 2.07 0.13 4.99 -4.23 -1.26 -4.96 115.64 108.68 1dgk s THR 519 Ca 0.03 0.02 -0.35 0.00 -1.18 0.00 0.00 61.69 60.21 1dgk s THR 519 Cb 0.02 -3.02 -0.15 0.00 1.34 0.00 0.00 72.50 70.70 1dgk s THR 519 CO -0.11 -0.03 1.44 -2.65 -0.54 0.00 0.00 174.62 172.73 1dgk n PRO 520 N -3.32 1.65 0.00 3.99 -0.02 -1.26 -4.90 135.00 131.14 1dgk n PRO 520 Ca 0.08 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 1dgk n PRO 520 Cb 0.61 -2.29 0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1dgk n PRO 520 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1dgk n ASP 521 N 2.86 2.04 0.00 2.55 5.68 -1.26 -4.91 116.55 123.51 1dgk n ASP 521 Ca 0.17 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 1dgk n ASP 521 Cb 0.25 0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1dgk n ASP 521 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dgk n GLY 522 N 1.37 0.48 0.00 6.12 0.00 -1.26 -4.93 105.19 106.97 1dgk n GLY 522 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1dgk n GLY 522 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dgk n THR 523 N -2.00 0.01 -1.74 2.61 -2.24 -1.26 -4.59 114.28 105.07 1dgk n THR 523 Ca 0.00 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 1dgk n THR 523 Cb 0.00 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.00 1dgk n THR 523 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dgk n GLU 524 N -1.56 2.32 -3.60 -0.78 4.71 -1.26 -4.85 120.64 115.62 1dgk n GLU 524 Ca 0.04 0.82 -0.10 0.00 -0.01 0.00 0.00 57.16 57.91 1dgk n GLU 524 Cb 0.35 -2.54 -0.06 0.00 -1.01 0.00 0.00 31.44 28.18 1dgk n GLU 524 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1dgk s ASN 525 N -0.33 -0.36 0.00 1.62 2.20 -1.26 -4.04 114.94 112.78 1dgk s ASN 525 Ca 0.57 0.47 0.00 0.00 -0.94 0.00 0.00 52.86 52.96 1dgk s ASN 525 Cb -0.49 0.40 0.00 0.00 -2.00 0.00 0.00 41.25 39.16 1dgk s ASN 525 CO 0.61 -0.28 0.00 0.61 -2.94 0.00 0.00 177.10 175.10 1dgk n GLY 526 N 1.05 -1.20 3.30 0.45 0.00 0.33 -4.95 105.19 104.17 1dgk n GLY 526 Ca -0.10 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1dgk n GLY 526 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dgk s ASP 527 N -0.46 3.70 0.12 1.61 1.01 -1.26 -1.11 116.67 120.27 1dgk s ASP 527 Ca 0.00 -0.42 0.05 0.00 0.71 0.00 0.00 52.55 52.89 1dgk s ASP 527 Cb 0.00 -1.55 -0.04 0.00 1.01 0.00 0.00 42.92 42.34 1dgk s ASP 527 CO 0.00 0.14 -0.13 -0.36 0.21 0.00 0.00 175.17 175.03 1dgk s PHE 528 N 0.49 1.32 0.12 4.23 0.40 0.49 -4.61 117.98 120.41 1dgk s PHE 528 Ca -0.11 -0.58 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1dgk s PHE 528 Cb -0.16 -0.69 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 1dgk s PHE 528 CO 0.05 0.11 0.18 -0.51 0.70 0.00 0.00 175.22 175.75 1dgk s LEU 529 N -2.45 4.08 0.04 -0.37 1.43 -0.88 0.63 118.68 121.15 1dgk s LEU 529 Ca 0.08 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 1dgk s LEU 529 Cb -0.04 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.51 1dgk s LEU 529 CO 0.02 0.11 0.32 0.00 0.23 0.00 0.00 176.35 177.03 1dgk s ALA 530 N -1.61 -0.73 0.12 4.21 0.00 -0.64 -1.12 121.76 121.98 1dgk s ALA 530 Ca 0.32 0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.46 1dgk s ALA 530 Cb -0.11 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1dgk s ALA 530 CO 0.25 -0.40 -0.25 -0.51 0.00 0.00 0.00 175.76 174.85 1dgk s LEU 531 N -1.99 2.40 -0.33 0.00 1.43 -0.65 -0.41 118.68 119.12 1dgk s LEU 531 Ca -0.06 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1dgk s LEU 531 Cb -0.01 -1.30 0.11 0.00 0.03 0.00 0.00 46.19 45.02 1dgk s LEU 531 CO -0.03 0.19 0.14 -0.62 0.23 0.00 0.00 176.35 176.26 1dgk s ASP 532 N -2.02 3.72 -0.08 2.29 3.68 0.18 -1.42 116.67 123.02 1dgk s ASP 532 Ca 0.15 -1.82 0.03 0.00 2.13 0.00 0.00 52.55 53.04 1dgk s ASP 532 Cb -0.10 -0.73 0.01 0.00 -1.45 0.00 0.00 42.92 40.65 1dgk s ASP 532 CO 0.07 -0.38 -0.17 -0.22 0.13 0.00 0.00 175.17 174.59 1dgk s LEU 533 N 1.42 1.84 0.00 -1.34 2.96 -0.64 -1.49 118.68 121.43 1dgk s LEU 533 Ca 0.12 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1dgk s LEU 533 Cb -0.19 -1.09 0.00 0.00 0.50 0.00 0.00 46.19 45.41 1dgk s LEU 533 CO -0.19 0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 1dgk n GLY 534 N 3.73 1.24 0.00 7.98 0.00 -1.26 -1.10 105.19 115.77 1dgk n GLY 534 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1dgk n GLY 534 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dgk n GLY 535 N 0.00 1.21 0.13 -0.02 0.00 -1.26 -4.91 105.19 100.33 1dgk n GLY 535 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 1dgk n GLY 535 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgk h ALA 536 N -1.55 0.22 -3.28 4.61 0.00 -2.00 -3.44 119.26 113.84 1dgk h ALA 536 Ca 0.00 -0.28 -0.64 0.00 0.00 0.00 0.00 54.91 54.00 1dgk h ALA 536 Cb 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 17.52 1dgk h ALA 536 CO 0.00 0.04 -0.66 -0.80 0.00 0.00 0.00 179.25 177.83 1dgk s ASN 537 N -6.01 4.86 -0.01 0.00 0.01 -1.26 -5.01 114.94 107.52 1dgk s ASN 537 Ca -0.14 -0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 51.60 1dgk s ASN 537 Cb 0.06 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.88 1dgk s ASN 537 CO 0.74 0.16 0.92 0.12 -1.51 0.00 0.00 177.10 177.53 1dgk s PHE 538 N 0.44 3.65 0.11 2.20 5.36 -1.24 -4.73 117.98 123.76 1dgk s PHE 538 Ca -0.03 1.62 0.03 0.00 -0.96 0.00 0.00 56.93 57.59 1dgk s PHE 538 Cb -0.14 -3.05 -0.04 0.00 -0.34 0.00 0.00 43.02 39.45 1dgk s PHE 538 CO 0.03 0.02 -0.09 1.03 -1.46 0.00 0.00 175.22 174.74 1dgk s ARG 539 N 0.91 0.89 -0.08 10.12 0.52 -0.56 -0.58 118.95 130.17 1dgk s ARG 539 Ca 0.49 -1.26 0.04 0.00 -0.52 0.00 0.00 55.73 54.48 1dgk s ARG 539 Cb -0.20 -0.48 -0.00 0.00 0.52 0.00 0.00 34.95 34.78 1dgk s ARG 539 CO 0.26 0.06 -0.22 0.08 0.02 0.00 0.00 175.30 175.50 1dgk s VAL 540 N -2.88 1.91 0.18 3.52 1.01 -0.96 -0.64 120.40 122.54 1dgk s VAL 540 Ca 0.09 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1dgk s VAL 540 Cb -0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1dgk s VAL 540 CO -0.01 0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 174.72 1dgk s LEU 541 N 0.26 2.53 -0.20 3.92 1.02 0.45 -1.85 118.68 124.81 1dgk s LEU 541 Ca -0.14 -0.99 0.01 0.00 0.02 0.00 0.00 54.13 53.03 1dgk s LEU 541 Cb -0.16 -0.60 0.04 0.00 0.02 0.00 0.00 46.19 45.48 1dgk s LEU 541 CO 0.07 -0.20 -0.14 -0.22 0.02 0.00 0.00 176.35 175.88 1dgk s LEU 542 N -3.17 2.45 -0.12 1.79 0.20 0.16 -1.63 118.68 118.35 1dgk s LEU 542 Ca 0.20 -0.88 0.03 0.00 0.69 0.00 0.00 54.13 54.16 1dgk s LEU 542 Cb -0.01 -1.40 0.01 0.00 -0.43 0.00 0.00 46.19 44.36 1dgk s LEU 542 CO 0.05 -0.09 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.11 1dgk s VAL 543 N 1.29 1.99 -0.23 1.68 1.01 0.20 -1.48 120.40 124.87 1dgk s VAL 543 Ca -0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1dgk s VAL 543 Cb -0.16 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1dgk s VAL 543 CO -0.09 0.54 -0.00 -0.54 0.00 0.00 0.00 175.10 175.00 1dgk s LYS 544 N 0.69 3.45 -0.08 2.72 1.02 0.11 -0.38 119.74 127.27 1dgk s LYS 544 Ca -0.11 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.33 1dgk s LYS 544 Cb -0.16 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1dgk s LYS 544 CO 0.01 -0.20 -0.17 0.42 -0.92 0.00 0.00 175.35 174.49 1dgk s ILE 545 N 1.52 2.76 -0.08 2.17 1.01 -0.26 0.25 121.20 128.56 1dgk s ILE 545 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1dgk s ILE 545 Cb -0.15 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.25 1dgk s ILE 545 CO -0.01 0.56 -0.06 -0.13 0.00 0.00 0.00 174.94 175.30 1dgk s ARG 546 N -0.14 1.17 0.29 2.79 1.81 0.03 -0.51 118.95 124.38 1dgk s ARG 546 Ca -0.02 -0.16 0.05 0.00 -1.72 0.00 0.00 55.73 53.87 1dgk s ARG 546 Cb -0.14 -1.22 0.05 0.00 -0.45 0.00 0.00 34.95 33.19 1dgk s ARG 546 CO 0.04 -0.17 0.39 -1.13 -0.68 0.00 0.00 175.30 173.74 1dgk n SER 547 N 4.54 1.11 0.00 0.23 3.41 -1.26 -0.33 113.62 121.33 1dgk n SER 547 Ca -0.16 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1dgk n SER 547 Cb 0.51 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1dgk n SER 547 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dgk n GLY 548 N 1.48 0.44 0.23 5.00 0.00 -1.26 -4.72 105.19 106.35 1dgk n GLY 548 Ca 0.08 -1.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 1dgk n GLY 548 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dgk h LYS 549 N 0.00 -0.22 -4.25 1.61 1.57 -2.01 -3.33 116.57 109.94 1dgk h LYS 549 Ca 0.00 0.01 -0.63 0.00 -1.87 0.00 0.00 60.65 58.17 1dgk h LYS 549 Cb 0.00 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 31.96 1dgk h LYS 549 CO 0.00 -0.15 -0.74 0.15 -0.57 0.00 0.00 179.45 178.15 1dgk s LYS 550 N -4.31 1.21 0.59 3.15 1.02 -1.26 -5.10 119.74 115.05 1dgk s LYS 550 Ca -0.07 -1.51 -0.20 0.00 0.02 0.00 0.00 55.97 54.21 1dgk s LYS 550 Cb 0.04 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1dgk s LYS 550 CO 0.30 -0.93 1.32 -0.98 -0.92 0.00 0.00 175.35 174.15 1dgk s ARG 551 N 1.20 2.88 0.05 1.68 1.70 -1.25 -4.87 118.95 120.33 1dgk s ARG 551 Ca 0.09 2.14 -0.03 0.00 -0.47 0.00 0.00 55.73 57.46 1dgk s ARG 551 Cb -0.18 -2.06 -0.02 0.00 -0.57 0.00 0.00 34.95 32.11 1dgk s ARG 551 CO -0.14 -1.37 0.04 0.95 -1.08 0.00 0.00 175.30 173.70 1dgk s THR 552 N -1.35 0.16 -0.04 4.99 -4.23 0.55 -5.00 115.64 110.72 1dgk s THR 552 Ca 0.77 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1dgk s THR 552 Cb -0.39 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.37 1dgk s THR 552 CO 0.44 -0.75 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.03 1dgk s VAL 553 N -3.10 0.57 -0.11 2.29 1.01 -1.25 -0.79 120.40 119.01 1dgk s VAL 553 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1dgk s VAL 553 Cb 0.02 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.84 1dgk s VAL 553 CO -0.07 0.22 -0.12 -0.70 0.00 0.00 0.00 175.10 174.43 1dgk s GLU 554 N 0.76 1.95 0.04 2.72 2.12 0.14 -4.96 118.70 121.47 1dgk s GLU 554 Ca -0.11 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 54.84 1dgk s GLU 554 Cb -0.13 -1.78 -0.02 0.00 0.26 0.00 0.00 34.13 32.46 1dgk s GLU 554 CO 0.00 -0.15 -0.18 -1.64 -0.54 0.00 0.00 175.26 172.75 1dgk s MET 555 N 1.27 1.24 0.03 4.30 -1.94 -1.26 0.06 119.30 122.99 1dgk s MET 555 Ca -0.02 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1dgk s MET 555 Cb -0.14 -1.31 -0.02 0.00 2.01 0.00 0.00 34.83 35.37 1dgk s MET 555 CO -0.05 0.33 -0.08 -1.01 -0.01 0.00 0.00 175.02 174.21 1dgk s HIS 556 N -0.79 0.66 0.24 -0.03 3.76 -0.55 -4.99 115.29 113.59 1dgk s HIS 556 Ca 0.06 -0.37 -0.15 0.00 -0.15 0.00 0.00 55.06 54.45 1dgk s HIS 556 Cb -0.08 -0.40 0.01 0.00 1.11 0.00 0.00 32.58 33.21 1dgk s HIS 556 CO 0.01 -0.05 0.52 0.54 -0.85 0.00 0.00 174.74 174.91 1dgk s ASN 557 N -1.13 -0.15 -0.08 1.40 2.20 -1.26 -0.67 114.94 115.26 1dgk s ASN 557 Ca -0.06 -0.78 -0.05 0.00 -0.94 0.00 0.00 52.86 51.03 1dgk s ASN 557 Cb -0.08 0.60 0.03 0.00 -2.00 0.00 0.00 41.25 39.81 1dgk s ASN 557 CO 0.00 -1.14 0.19 -0.75 -2.94 0.00 0.00 177.10 172.46 1dgk s LYS 558 N -3.97 0.17 0.11 3.55 2.20 -0.77 -5.00 119.74 116.03 1dgk s LYS 558 Ca 0.18 0.37 -0.21 0.00 -0.36 0.00 0.00 55.97 55.95 1dgk s LYS 558 Cb -0.01 -0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.18 1dgk s LYS 558 CO 0.06 -0.11 0.63 0.42 -0.36 0.00 0.00 175.35 175.99 1dgk s ILE 559 N 0.79 4.63 0.01 5.43 1.01 -1.26 -2.27 121.20 129.54 1dgk s ILE 559 Ca -0.06 1.33 0.08 0.00 0.00 0.00 0.00 60.65 62.00 1dgk s ILE 559 Cb -0.07 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1dgk s ILE 559 CO -0.04 0.51 -0.23 -0.31 0.00 0.00 0.00 174.94 174.86 1dgk s TYR 560 N -1.17 2.08 0.34 3.97 1.51 0.25 -5.00 117.35 119.33 1dgk s TYR 560 Ca 0.32 -0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 55.77 1dgk s TYR 560 Cb -0.20 -1.30 -0.10 0.00 -0.11 0.00 0.00 41.96 40.25 1dgk s TYR 560 CO 0.21 0.02 0.88 0.00 -1.11 0.00 0.00 175.55 175.55 1dgk s ALA 561 N -0.64 3.21 -0.33 3.71 0.00 -1.26 -3.68 121.76 122.77 1dgk s ALA 561 Ca 0.09 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1dgk s ALA 561 Cb -0.09 -3.05 0.10 0.00 0.00 0.00 0.00 23.12 20.08 1dgk s ALA 561 CO 0.00 0.21 0.06 0.42 0.00 0.00 0.00 175.76 176.46 1dgk s ILE 562 N -1.82 1.79 0.59 0.00 1.01 -1.26 -5.04 121.20 116.47 1dgk s ILE 562 Ca 0.53 -2.01 -0.20 0.00 0.00 0.00 0.00 60.65 58.98 1dgk s ILE 562 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1dgk s ILE 562 CO 0.19 -0.62 1.14 -0.81 0.00 0.00 0.00 174.94 174.84 1dgk n PRO 563 N 4.46 1.17 0.18 2.79 -0.04 -1.26 -4.74 135.00 137.56 1dgk n PRO 563 Ca 0.02 0.45 0.15 0.00 -0.04 0.00 0.00 63.50 64.07 1dgk n PRO 563 Cb 0.42 -2.34 0.74 0.00 -0.04 0.00 0.00 33.50 32.28 1dgk n PRO 563 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1dgk h ILE 564 N 0.80 0.72 -0.00 0.52 6.09 -1.99 0.39 117.51 124.04 1dgk h ILE 564 Ca -0.49 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 62.92 1dgk h ILE 564 Cb 1.34 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 39.50 1dgk h ILE 564 CO 0.53 0.00 -0.37 -0.33 -3.07 0.00 0.00 178.15 174.91 1dgk h GLU 565 N 0.00 0.01 0.00 2.19 3.07 -1.93 0.87 114.58 118.79 1dgk h GLU 565 Ca 0.09 -0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.69 1dgk h GLU 565 Cb 0.42 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 1dgk h GLU 565 CO -0.00 0.38 -1.43 0.82 -1.40 0.00 0.00 179.01 177.38 1dgk h ILE 566 N 0.01 1.19 0.00 3.13 2.04 -1.30 -0.97 117.51 121.60 1dgk h ILE 566 Ca -0.00 -2.99 -0.05 0.00 1.00 0.00 0.00 64.86 62.81 1dgk h ILE 566 Cb 0.66 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 1dgk h ILE 566 CO 0.05 0.68 -0.25 0.24 0.00 0.00 0.00 178.15 178.87 1dgk h MET 567 N 0.00 0.00 -0.03 2.37 2.86 -0.86 -2.92 114.93 116.35 1dgk h MET 567 Ca -0.18 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1dgk h MET 567 Cb 1.92 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.57 1dgk h MET 567 CO 0.10 0.25 -0.13 1.04 1.06 0.00 0.00 176.91 179.23 1dgk n GLN 568 N -3.99 1.50 0.00 1.72 6.02 0.26 -0.22 117.38 122.67 1dgk n GLN 568 Ca -0.02 -2.80 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 1dgk n GLN 568 Cb 0.32 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1dgk n GLN 568 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dgk n GLY 569 N -1.28 0.51 3.83 1.08 0.00 -0.37 -4.50 105.19 104.46 1dgk n GLY 569 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1dgk n GLY 569 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dgk s THR 570 N 3.46 4.71 0.32 2.61 -4.23 -1.26 -0.70 115.64 120.54 1dgk s THR 570 Ca 0.00 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1dgk s THR 570 Cb 0.00 -3.39 0.29 0.00 1.34 0.00 0.00 72.50 70.74 1dgk s THR 570 CO 0.00 -0.08 1.90 1.23 -0.54 0.00 0.00 174.62 177.14 1dgk h GLY 571 N 2.45 1.28 0.90 3.99 0.00 -0.50 -0.08 103.07 111.11 1dgk h GLY 571 Ca -0.48 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.50 1dgk h GLY 571 CO 0.65 0.23 0.39 -2.09 0.00 0.00 0.00 176.54 175.72 1dgk h GLU 572 N 0.91 0.76 -0.67 4.80 4.81 -1.89 -0.40 114.58 122.89 1dgk h GLU 572 Ca 0.40 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.51 1dgk h GLU 572 Cb 0.35 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1dgk h GLU 572 CO -0.17 0.50 0.10 0.93 -0.73 0.00 0.00 179.01 179.65 1dgk h GLU 573 N 0.78 1.11 -0.13 1.92 5.08 -1.46 -0.91 114.58 120.98 1dgk h GLU 573 Ca 0.25 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1dgk h GLU 573 Cb -0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1dgk h GLU 573 CO -0.09 1.02 0.03 1.25 -1.00 0.00 0.00 179.01 180.22 1dgk h LEU 574 N 1.04 0.20 -1.00 1.33 5.85 -1.01 -2.02 115.31 119.70 1dgk h LEU 574 Ca 0.20 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1dgk h LEU 574 Cb 0.45 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1dgk h LEU 574 CO 0.01 0.39 -0.50 -0.26 -0.34 0.00 0.00 178.44 177.75 1dgk h PHE 575 N -0.01 0.00 -0.69 1.25 -1.00 -1.01 -0.73 116.94 114.75 1dgk h PHE 575 Ca 0.04 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 1dgk h PHE 575 Cb 0.28 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 1dgk h PHE 575 CO 0.01 0.50 0.18 -0.44 -1.61 0.00 0.00 178.31 176.95 1dgk h ASP 576 N 0.00 1.04 -0.20 2.17 3.32 -1.16 0.22 116.42 121.82 1dgk h ASP 576 Ca -0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1dgk h ASP 576 Cb 0.89 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1dgk h ASP 576 CO 0.06 0.99 0.10 -0.74 -1.72 0.00 0.00 179.24 177.94 1dgk h HIS 577 N 1.03 0.28 -0.32 4.55 2.76 -0.74 0.21 115.15 122.92 1dgk h HIS 577 Ca 0.22 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 1dgk h HIS 577 Cb 0.35 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1dgk h HIS 577 CO 0.03 0.28 0.14 0.82 -1.30 0.00 0.00 177.93 177.91 1dgk h ILE 578 N 0.20 0.96 -0.77 6.26 2.04 -0.54 -1.12 117.51 124.53 1dgk h ILE 578 Ca 0.07 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1dgk h ILE 578 Cb 0.11 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1dgk h ILE 578 CO -0.01 0.06 0.45 0.58 0.00 0.00 0.00 178.15 179.23 1dgk h VAL 579 N 0.30 1.22 -0.70 1.67 2.07 -0.28 -0.77 116.25 119.77 1dgk h VAL 579 Ca 0.14 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1dgk h VAL 579 Cb 0.08 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1dgk h VAL 579 CO -0.12 0.24 0.41 0.28 0.02 0.00 0.00 177.57 178.40 1dgk h SER 580 N 1.07 0.85 -0.23 0.57 0.02 0.25 -0.27 113.55 115.81 1dgk h SER 580 Ca 0.28 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1dgk h SER 580 Cb -0.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1dgk h SER 580 CO -0.05 0.67 -0.14 0.00 -1.14 0.00 0.00 176.83 176.18 1dgk h ILE 582 N 0.59 1.16 -0.40 0.00 2.04 -0.42 -0.09 117.51 120.38 1dgk h ILE 582 Ca 0.10 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.57 1dgk h ILE 582 Cb 0.58 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 1dgk h ILE 582 CO 0.04 0.17 -0.14 -1.28 0.00 0.00 0.00 178.15 176.93 1dgk h SER 583 N 0.33 -0.49 -0.11 1.72 0.87 -0.23 0.10 113.55 115.74 1dgk h SER 583 Ca 0.10 0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1dgk h SER 583 Cb 0.14 0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 1dgk h SER 583 CO -0.01 -0.17 -0.18 -0.78 -0.53 0.00 0.00 176.83 175.15 1dgk h ASP 584 N -0.05 -0.56 -0.81 6.23 1.82 -0.87 -2.17 116.42 120.01 1dgk h ASP 584 Ca 0.19 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1dgk h ASP 584 Cb 0.35 0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.58 1dgk h ASP 584 CO -0.44 -0.23 0.51 0.15 -1.61 0.00 0.00 179.24 177.62 1dgk h PHE 585 N -0.24 1.05 -0.98 0.28 3.57 0.97 0.26 116.94 121.86 1dgk h PHE 585 Ca 0.09 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1dgk h PHE 585 Cb 0.37 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1dgk h PHE 585 CO -0.28 0.69 0.64 -0.07 -2.23 0.00 0.00 178.31 177.06 1dgk h LEU 586 N 1.11 1.09 -0.33 0.59 3.38 -0.30 0.16 115.31 121.01 1dgk h LEU 586 Ca 0.29 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1dgk h LEU 586 Cb -0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 1dgk h LEU 586 CO -0.06 0.76 -0.36 -0.78 0.09 0.00 0.00 178.44 178.10 1dgk h ASP 587 N 1.27 0.88 -0.74 -0.43 3.58 -0.62 -0.25 116.42 120.11 1dgk h ASP 587 Ca 0.38 -0.48 0.01 0.00 0.42 0.00 0.00 57.03 57.36 1dgk h ASP 587 Cb -0.06 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.70 1dgk h ASP 587 CO -0.10 1.18 0.49 0.22 -2.88 0.00 0.00 179.24 178.15 1dgk h TYR 588 N 0.60 0.93 -0.00 0.28 3.20 0.08 -2.52 116.97 119.53 1dgk h TYR 588 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1dgk h TYR 588 Cb 0.95 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1dgk h TYR 588 CO 0.07 0.58 -0.27 -1.33 -1.64 0.00 0.00 178.16 175.57 1dgk n MET 589 N -4.57 0.57 -2.93 1.82 2.81 0.49 -4.95 117.12 110.35 1dgk n MET 589 Ca 0.07 -0.30 -0.14 0.00 -1.81 0.00 0.00 57.70 55.52 1dgk n MET 589 Cb 0.02 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.07 1dgk n MET 589 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dgk n GLY 590 N 1.37 0.00 3.65 3.03 0.00 -0.38 -4.97 105.19 107.89 1dgk n GLY 590 Ca 0.11 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1dgk n GLY 590 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dgk s ILE 591 N -3.05 4.97 0.26 -0.61 1.01 -0.25 -5.01 121.20 118.52 1dgk s ILE 591 Ca 0.27 1.29 0.02 0.00 0.00 0.00 0.00 60.65 62.23 1dgk s ILE 591 Cb -0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1dgk s ILE 591 CO 0.33 0.06 0.17 -1.59 0.00 0.00 0.00 174.94 173.91 1dgk s LYS 592 N 2.17 1.43 0.00 2.79 -2.85 -1.26 -4.78 119.74 117.24 1dgk s LYS 592 Ca 0.30 -1.79 0.00 0.00 -1.00 0.00 0.00 55.97 53.48 1dgk s LYS 592 Cb -0.16 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 1dgk s LYS 592 CO 0.10 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1dgk n GLY 593 N -0.44 -2.91 3.54 0.59 0.00 -1.26 -5.02 105.19 99.69 1dgk n GLY 593 Ca 0.03 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 1dgk n GLY 593 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dgk n PRO 594 N -0.06 0.29 -1.75 1.61 -0.02 -1.26 -4.84 135.00 128.97 1dgk n PRO 594 Ca 0.00 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1dgk n PRO 594 Cb 0.00 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1dgk n PRO 594 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1dgk n ARG 595 N -1.57 2.69 -3.91 -0.52 1.85 -1.26 -4.98 116.66 108.95 1dgk n ARG 595 Ca 0.11 0.96 -0.29 0.00 -1.00 0.00 0.00 57.85 57.63 1dgk n ARG 595 Cb 0.50 -2.73 -0.04 0.00 -1.05 0.00 0.00 32.46 29.14 1dgk n ARG 595 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1dgk s MET 596 N -0.66 3.45 0.40 2.89 -1.94 -1.26 -4.82 119.30 117.36 1dgk s MET 596 Ca 0.63 -0.49 -0.26 0.00 -1.71 0.00 0.00 55.69 53.86 1dgk s MET 596 Cb -0.50 -3.00 -0.09 0.00 2.01 0.00 0.00 34.83 33.26 1dgk s MET 596 CO 0.50 0.56 1.27 -1.25 -0.01 0.00 0.00 175.02 176.09 1dgk s PRO 597 N -2.85 4.02 -0.00 2.03 0.04 -1.26 -2.01 135.00 134.97 1dgk s PRO 597 Ca 0.35 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.50 1dgk s PRO 597 Cb -0.12 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 1dgk s PRO 597 CO 0.28 -0.43 -0.08 -1.17 0.04 0.00 0.00 177.00 175.64 1dgk s LEU 598 N -2.39 2.04 -0.15 -3.56 0.20 0.15 -2.08 118.68 112.89 1dgk s LEU 598 Ca 0.56 -0.19 -0.01 0.00 0.69 0.00 0.00 54.13 55.19 1dgk s LEU 598 Cb -0.36 -0.41 -0.01 0.00 -0.43 0.00 0.00 46.19 44.97 1dgk s LEU 598 CO 0.47 0.08 -0.12 -0.83 -0.29 0.00 0.00 176.35 175.66 1dgk s GLY 599 N -0.33 1.55 -0.42 7.98 0.00 -0.28 -1.48 107.32 114.35 1dgk s GLY 599 Ca 0.02 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 43.67 1dgk s GLY 599 CO -0.00 -0.08 0.29 -0.12 0.00 0.00 0.00 173.10 173.19 1dgk s PHE 600 N 0.54 3.25 -0.36 1.90 5.99 0.18 -1.64 117.98 127.84 1dgk s PHE 600 Ca -0.08 -0.82 -0.25 0.00 0.00 0.00 0.00 56.93 55.78 1dgk s PHE 600 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 43.02 40.18 1dgk s PHE 600 CO 0.04 -0.67 0.87 0.99 -0.00 0.00 0.00 175.22 176.45 1dgk s THR 601 N 1.62 4.64 -0.23 0.12 2.01 -0.51 -0.01 115.64 123.28 1dgk s THR 601 Ca 0.04 1.10 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1dgk s THR 601 Cb -0.20 -4.28 0.06 0.00 0.01 0.00 0.00 72.50 68.08 1dgk s THR 601 CO 0.08 -0.48 -0.04 0.12 -0.69 0.00 0.00 174.62 173.60 1dgk s PHE 602 N 3.32 2.28 -1.32 4.92 2.19 -0.58 -1.61 117.98 127.19 1dgk s PHE 602 Ca 0.36 -1.70 -0.06 0.00 0.33 0.00 0.00 56.93 55.86 1dgk s PHE 602 Cb -0.12 -1.55 0.13 0.00 -1.31 0.00 0.00 43.02 40.16 1dgk s PHE 602 CO 0.18 -0.77 2.32 -1.13 1.83 0.00 0.00 175.22 177.65 1dgk n SER 603 N 4.70 7.71 -4.02 6.13 3.41 -0.26 -4.35 113.62 126.94 1dgk n SER 603 Ca -0.11 -3.14 -0.08 0.00 -0.26 0.00 0.00 58.87 55.27 1dgk n SER 603 Cb 0.44 -1.37 -0.10 0.00 -0.26 0.00 0.00 64.21 62.92 1dgk n SER 603 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1dgk s PHE 604 N -1.00 0.36 0.07 7.33 0.40 -1.26 -4.90 117.98 118.98 1dgk s PHE 604 Ca 0.52 -0.76 -0.31 0.00 -0.60 0.00 0.00 56.93 55.78 1dgk s PHE 604 Cb 0.17 -0.27 -0.09 0.00 0.51 0.00 0.00 43.02 43.35 1dgk s PHE 604 CO -0.08 -0.30 1.75 -1.25 0.70 0.00 0.00 175.22 176.03 1dgk s PRO 605 N -2.74 4.17 0.01 0.24 0.04 -1.26 -4.95 135.00 130.51 1dgk s PRO 605 Ca -0.04 2.44 0.05 0.00 0.04 0.00 0.00 61.00 63.49 1dgk s PRO 605 Cb -0.01 -3.70 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 1dgk s PRO 605 CO -0.06 -0.81 -0.15 0.00 0.04 0.00 0.00 177.00 176.03 1dgk s GLN 607 N -0.63 3.18 0.05 0.00 2.00 0.18 -4.82 119.66 119.62 1dgk s GLN 607 Ca 0.05 -0.63 -0.06 0.00 -2.00 0.00 0.00 55.36 52.71 1dgk s GLN 607 Cb -0.06 -4.00 -0.05 0.00 0.80 0.00 0.00 33.01 29.69 1dgk s GLN 607 CO 0.00 -1.05 0.31 -0.65 -0.50 0.00 0.00 175.29 173.41 1dgk s GLN 608 N 2.61 3.61 0.00 1.67 -0.21 -1.26 -0.94 119.66 125.14 1dgk s GLN 608 Ca 0.18 -0.06 0.14 0.00 0.02 0.00 0.00 55.36 55.63 1dgk s GLN 608 Cb -0.16 -3.01 -0.11 0.00 1.00 0.00 0.00 33.01 30.72 1dgk s GLN 608 CO 0.15 0.59 0.63 0.25 -2.12 0.00 0.00 175.29 174.80 1dgk n THR 609 N 0.79 0.00 -3.77 -0.19 -2.24 -1.23 -4.91 114.28 102.72 1dgk n THR 609 Ca -0.08 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.46 1dgk n THR 609 Cb 0.52 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1dgk n THR 609 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1dgk s SER 610 N -2.17 -0.10 0.34 3.42 1.04 -1.26 -5.02 113.70 109.96 1dgk s SER 610 Ca 0.07 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1dgk s SER 610 Cb 0.11 0.42 0.73 0.00 0.10 0.00 0.00 66.02 67.37 1dgk s SER 610 CO 0.52 -0.79 1.90 0.25 0.98 0.00 0.00 173.24 176.10 1dgk h LEU 611 N 2.00 0.72 -3.25 2.42 5.85 -1.84 -2.81 115.31 118.40 1dgk h LEU 611 Ca -0.26 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1dgk h LEU 611 Cb 1.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1dgk h LEU 611 CO 0.29 0.42 0.00 -0.90 -0.34 0.00 0.00 178.44 177.91 1dgk n ASP 612 N -4.52 4.76 -3.97 1.25 5.75 -1.26 -1.09 116.55 117.47 1dgk n ASP 612 Ca 0.15 -2.62 -0.20 0.00 -0.01 0.00 0.00 54.79 52.11 1dgk n ASP 612 Cb 0.34 -0.58 -0.16 0.00 -1.03 0.00 0.00 41.12 39.70 1dgk n ASP 612 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dgk s ALA 613 N -2.16 0.78 -0.29 2.12 0.00 -1.06 -4.77 121.76 116.39 1dgk s ALA 613 Ca 0.49 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 1dgk s ALA 613 Cb 0.34 -0.33 0.17 0.00 0.00 0.00 0.00 23.12 23.30 1dgk s ALA 613 CO 0.20 0.10 0.56 0.20 0.00 0.00 0.00 175.76 176.82 1dgk s GLY 614 N 0.36 -0.85 -0.15 0.00 0.00 -1.26 -3.52 107.32 101.90 1dgk s GLY 614 Ca -0.05 1.75 -0.22 0.00 0.00 0.00 0.00 44.72 46.20 1dgk s GLY 614 CO 0.01 3.20 0.65 -0.42 0.00 0.00 0.00 173.10 176.54 1dgk s ILE 615 N 2.81 5.03 -0.03 0.90 -1.09 -0.12 -1.50 121.20 127.20 1dgk s ILE 615 Ca 0.16 1.28 -0.30 0.00 -2.23 0.00 0.00 60.65 59.56 1dgk s ILE 615 Cb -0.15 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1dgk s ILE 615 CO -0.20 0.16 1.53 -0.22 -1.23 0.00 0.00 174.94 174.98 1dgk s LEU 616 N 1.52 4.31 0.01 2.97 2.96 -0.88 -0.65 118.68 128.92 1dgk s LEU 616 Ca 0.32 2.18 -0.09 0.00 -0.22 0.00 0.00 54.13 56.32 1dgk s LEU 616 Cb -0.16 -3.55 -0.31 0.00 0.50 0.00 0.00 46.19 42.67 1dgk s LEU 616 CO 0.12 -0.84 0.89 0.40 -1.32 0.00 0.00 176.35 175.61 1dgk h ILE 617 N 5.24 1.18 -2.00 6.68 2.04 -1.45 -0.09 117.51 129.11 1dgk h ILE 617 Ca -0.38 -2.73 0.12 0.00 1.00 0.00 0.00 64.86 62.87 1dgk h ILE 617 Cb 1.17 2.87 -0.18 0.00 -0.74 0.00 0.00 36.82 39.95 1dgk h ILE 617 CO 0.94 0.84 0.54 0.28 0.00 0.00 0.00 178.15 180.75 1dgk s THR 618 N -2.61 0.00 0.41 -0.27 -1.32 -1.26 -4.78 115.64 105.82 1dgk s THR 618 Ca -0.10 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.25 1dgk s THR 618 Cb 0.06 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.97 1dgk s THR 618 CO 0.89 0.00 0.81 0.26 -2.21 0.00 0.00 174.62 174.36 1dgk s TRP 619 N -2.53 3.44 0.30 9.09 0.23 -1.26 -4.49 118.94 123.72 1dgk s TRP 619 Ca 0.04 1.18 0.04 0.00 -2.03 0.00 0.00 56.10 55.32 1dgk s TRP 619 Cb -0.01 -2.54 -0.04 0.00 0.03 0.00 0.00 33.47 30.92 1dgk s TRP 619 CO -0.06 -0.12 0.18 0.95 0.96 0.00 0.00 176.95 178.87 1dgk s THR 620 N -2.34 0.19 0.00 2.01 -4.23 -1.26 -5.02 115.64 104.99 1dgk s THR 620 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1dgk s THR 620 Cb -0.10 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1dgk s THR 620 CO 0.28 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.65 1dgk n LYS 621 N -0.55 0.00 -0.30 3.99 5.02 -1.26 -2.94 118.16 122.12 1dgk n LYS 621 Ca 0.03 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.43 1dgk n LYS 621 Cb 0.64 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.94 1dgk n LYS 621 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dgk n GLY 622 N 0.00 2.03 3.77 0.72 0.00 -1.26 -4.88 105.19 105.57 1dgk n GLY 622 Ca 0.00 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1dgk n GLY 622 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dgk s PHE 623 N -1.22 3.87 0.00 1.61 0.40 -1.15 -4.77 117.98 116.72 1dgk s PHE 623 Ca 0.44 1.77 0.05 0.00 -0.60 0.00 0.00 56.93 58.59 1dgk s PHE 623 Cb 0.24 -2.88 0.08 0.00 0.51 0.00 0.00 43.02 40.97 1dgk s PHE 623 CO 0.32 0.40 0.90 1.63 0.70 0.00 0.00 175.22 179.16 1dgk n LYS 624 N 1.22 0.00 -1.64 0.44 4.76 0.70 -4.48 118.16 119.15 1dgk n LYS 624 Ca -0.02 -0.93 -0.44 0.00 -2.87 0.00 0.00 58.31 54.05 1dgk n LYS 624 Cb 0.49 -0.13 -0.02 0.00 -1.84 0.00 0.00 35.03 33.53 1dgk n LYS 624 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dgk n ALA 625 N 0.10 0.47 -1.96 7.82 0.00 -0.76 -4.66 120.51 121.53 1dgk n ALA 625 Ca -0.03 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 1dgk n ALA 625 Cb 0.73 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 1dgk n ALA 625 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dgk s THR 626 N -0.74 4.70 -1.32 0.00 -4.23 0.12 -3.99 115.64 110.18 1dgk s THR 626 Ca 0.61 0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 61.93 1dgk s THR 626 Cb -0.67 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.38 1dgk s THR 626 CO 0.57 -0.89 0.89 0.47 -0.54 0.00 0.00 174.62 175.12 1dgk n ASP 627 N -2.16 -2.65 0.00 3.99 8.00 -1.26 0.21 116.55 122.67 1dgk n ASP 627 Ca 0.05 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1dgk n ASP 627 Cb 0.54 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 1dgk n ASP 627 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dgk s VAL 629 N -1.82 2.41 0.00 0.00 1.01 -1.26 -0.65 120.40 120.08 1dgk s VAL 629 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1dgk s VAL 629 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1dgk s VAL 629 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1dgk n GLY 630 N 4.19 0.82 3.86 4.51 0.00 -0.05 -4.96 105.19 113.58 1dgk n GLY 630 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1dgk n GLY 630 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dgk s HIS 631 N -2.82 3.31 -0.16 1.61 4.02 0.17 -4.85 115.29 116.58 1dgk s HIS 631 Ca 0.00 0.07 -0.29 0.00 1.02 0.00 0.00 55.06 55.85 1dgk s HIS 631 Cb 0.00 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.58 29.94 1dgk s HIS 631 CO 0.00 0.52 1.32 0.34 1.02 0.00 0.00 174.74 177.95 1dgk s ASP 632 N -3.03 6.88 0.50 1.40 -1.08 -1.26 -2.08 116.67 117.99 1dgk s ASP 632 Ca 0.32 1.73 0.29 0.00 -0.52 0.00 0.00 52.55 54.37 1dgk s ASP 632 Cb -0.11 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.94 1dgk s ASP 632 CO 0.26 -0.81 1.90 -0.37 0.52 0.00 0.00 175.17 176.66 1dgk h VAL 633 N 5.55 0.25 -0.37 1.11 -1.51 -1.61 -0.93 116.25 118.74 1dgk h VAL 633 Ca -0.28 -0.80 -0.15 0.00 -1.23 0.00 0.00 66.70 64.24 1dgk h VAL 633 Cb 1.11 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 1dgk h VAL 633 CO 0.97 0.10 -0.35 0.58 -1.23 0.00 0.00 177.57 177.64 1dgk h VAL 634 N 0.00 1.28 -0.78 7.19 2.07 -1.86 -0.88 116.25 123.27 1dgk h VAL 634 Ca -0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1dgk h VAL 634 Cb 0.63 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1dgk h VAL 634 CO 0.01 0.51 0.49 0.74 0.02 0.00 0.00 177.57 179.34 1dgk h THR 635 N 0.70 1.21 -0.69 2.57 2.02 -1.77 0.41 112.91 117.36 1dgk h THR 635 Ca 0.06 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1dgk h THR 635 Cb 0.94 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1dgk h THR 635 CO 0.09 0.21 0.45 -0.07 0.37 0.00 0.00 175.52 176.57 1dgk h LEU 636 N 1.06 0.77 -0.26 2.58 3.38 -0.94 0.16 115.31 122.06 1dgk h LEU 636 Ca 0.28 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1dgk h LEU 636 Cb -0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1dgk h LEU 636 CO -0.06 0.55 -0.07 0.25 0.09 0.00 0.00 178.44 179.21 1dgk h LEU 637 N 0.91 0.50 -0.85 1.67 5.85 -0.45 -2.33 115.31 120.62 1dgk h LEU 637 Ca 0.26 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1dgk h LEU 637 Cb -0.07 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1dgk h LEU 637 CO -0.07 0.76 0.56 0.03 -0.34 0.00 0.00 178.44 179.37 1dgk h ARG 638 N 0.24 1.08 -0.69 1.25 3.08 0.09 -0.40 114.38 119.03 1dgk h ARG 638 Ca 0.06 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1dgk h ARG 638 Cb 0.54 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1dgk h ARG 638 CO 0.03 0.71 0.20 -0.44 -1.07 0.00 0.00 179.97 179.40 1dgk h ASP 639 N 1.11 1.02 0.77 7.04 3.32 -0.59 -2.09 116.42 127.00 1dgk h ASP 639 Ca 0.32 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1dgk h ASP 639 Cb -0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1dgk h ASP 639 CO -0.09 0.96 -0.41 0.00 -1.72 0.00 0.00 179.24 177.99 1dgk h ALA 640 N 1.09 1.02 -0.10 3.45 0.00 -0.68 -0.56 119.26 123.49 1dgk h ALA 640 Ca 0.22 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1dgk h ALA 640 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dgk h ALA 640 CO -0.00 0.51 -0.21 0.82 0.00 0.00 0.00 179.25 180.37 1dgk h ILE 641 N 0.00 1.39 -0.68 0.00 2.04 -0.76 -3.02 117.51 116.48 1dgk h ILE 641 Ca -0.00 -1.50 0.03 0.00 1.00 0.00 0.00 64.86 64.38 1dgk h ILE 641 Cb 0.90 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 1dgk h ILE 641 CO 0.05 0.43 0.45 0.11 0.00 0.00 0.00 178.15 179.20 1dgk h LYS 642 N -0.13 0.82 -0.34 2.37 1.57 -1.08 -2.16 116.57 117.62 1dgk h LYS 642 Ca 0.00 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1dgk h LYS 642 Cb 0.80 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1dgk h LYS 642 CO 0.05 0.54 -0.12 0.00 -0.57 0.00 0.00 179.45 179.34 1dgk h ARG 643 N 0.84 0.60 0.00 3.15 3.08 -1.11 -2.64 114.38 118.30 1dgk h ARG 643 Ca 0.27 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1dgk h ARG 643 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1dgk h ARG 643 CO -0.07 0.71 -0.44 -0.09 -1.07 0.00 0.00 179.97 179.01 1dgk h ARG 644 N 0.55 0.00 -6.49 0.04 2.43 -1.27 -3.47 114.38 106.16 1dgk h ARG 644 Ca 0.10 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.77 1dgk h ARG 644 Cb 0.54 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 1dgk h ARG 644 CO 0.03 0.44 -0.89 -1.91 -1.51 0.00 0.00 179.97 176.13 1dgk n GLU 645 N -3.49 -3.26 0.00 0.20 4.07 -0.89 -4.88 120.64 112.39 1dgk n GLU 645 Ca 0.00 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 1dgk n GLU 645 Cb 0.57 -4.52 0.00 0.00 -0.06 0.00 0.00 31.44 27.44 1dgk n GLU 645 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1dgk n GLU 646 N -4.40 0.00 -1.64 5.31 1.02 -1.26 -5.10 120.64 114.57 1dgk n GLU 646 Ca -0.31 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.53 1dgk n GLU 646 Cb 0.69 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.20 1dgk n GLU 646 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1dgk s PHE 647 N 0.36 2.88 0.19 -0.32 -0.12 -1.26 -5.08 117.98 114.63 1dgk s PHE 647 Ca 0.00 1.06 0.10 0.00 -0.05 0.00 0.00 56.93 58.04 1dgk s PHE 647 Cb 0.00 -3.18 -0.04 0.00 -0.63 0.00 0.00 43.02 39.17 1dgk s PHE 647 CO 0.00 -1.75 -0.21 0.34 -0.05 0.00 0.00 175.22 173.55 1dgk s ASP 648 N -4.06 3.10 0.04 1.98 3.68 -1.26 -4.87 116.67 115.29 1dgk s ASP 648 Ca 0.61 -0.89 -0.04 0.00 2.13 0.00 0.00 52.55 54.36 1dgk s ASP 648 Cb -0.14 -0.21 -0.02 0.00 -1.45 0.00 0.00 42.92 41.10 1dgk s ASP 648 CO 0.53 0.04 0.06 -0.76 0.13 0.00 0.00 175.17 175.17 1dgk s LEU 649 N -2.77 1.98 -0.59 -1.34 1.43 -1.26 -4.50 118.68 111.62 1dgk s LEU 649 Ca 0.20 -0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1dgk s LEU 649 Cb -0.06 0.49 0.15 0.00 0.03 0.00 0.00 46.19 46.80 1dgk s LEU 649 CO 0.09 -0.53 0.42 -0.62 0.23 0.00 0.00 176.35 175.94 1dgk s ASP 650 N -2.31 5.39 -0.44 2.29 2.15 -0.85 -4.96 116.67 117.94 1dgk s ASP 650 Ca -0.02 -2.64 -0.28 0.00 0.43 0.00 0.00 52.55 50.04 1dgk s ASP 650 Cb 0.01 -1.89 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 1dgk s ASP 650 CO -0.06 -0.44 1.51 -0.69 -0.17 0.00 0.00 175.17 175.32 1dgk s VAL 651 N 0.26 3.77 -0.35 1.11 1.01 -1.26 0.34 120.40 125.28 1dgk s VAL 651 Ca 0.15 0.75 0.22 0.00 0.00 0.00 0.00 61.98 63.10 1dgk s VAL 651 Cb -0.20 -4.13 -0.20 0.00 0.00 0.00 0.00 36.38 31.85 1dgk s VAL 651 CO -0.04 -0.78 0.79 0.52 0.00 0.00 0.00 175.10 175.60 1dgk n VAL 652 N 7.11 0.16 -3.57 2.92 0.31 -0.55 -4.90 118.33 119.81 1dgk n VAL 652 Ca 0.17 -0.37 -0.15 0.00 -0.01 0.00 0.00 64.34 63.98 1dgk n VAL 652 Cb 0.48 0.12 -0.06 0.00 -0.91 0.00 0.00 33.84 33.47 1dgk n VAL 652 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dgk s ALA 653 N -3.33 -1.82 -0.13 3.52 0.00 -1.23 -4.01 121.76 114.75 1dgk s ALA 653 Ca -0.01 1.62 0.02 0.00 0.00 0.00 0.00 51.96 53.59 1dgk s ALA 653 Cb 0.14 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1dgk s ALA 653 CO 0.85 -0.34 -0.19 0.54 0.00 0.00 0.00 175.76 176.62 1dgk s VAL 654 N -0.59 1.87 -0.00 0.00 0.11 -0.25 0.47 120.40 122.00 1dgk s VAL 654 Ca -0.05 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.18 1dgk s VAL 654 Cb -0.02 -1.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1dgk s VAL 654 CO 0.05 0.51 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.52 1dgk s VAL 655 N 0.93 0.94 0.58 2.04 1.01 0.98 -4.85 120.40 122.03 1dgk s VAL 655 Ca -0.06 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1dgk s VAL 655 Cb -0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1dgk s VAL 655 CO -0.03 0.23 1.02 0.21 0.00 0.00 0.00 175.10 176.53 1dgk s ASN 656 N -0.37 6.28 0.43 3.32 3.84 -1.26 -1.53 114.94 125.65 1dgk s ASN 656 Ca 0.04 1.54 0.19 0.00 0.21 0.00 0.00 52.86 54.84 1dgk s ASN 656 Cb -0.05 -2.49 1.00 0.00 -0.55 0.00 0.00 41.25 39.15 1dgk s ASN 656 CO -0.00 -0.83 1.91 -2.24 -2.79 0.00 0.00 177.10 173.15 1dgk h ASP 657 N 0.24 0.00 -0.20 -4.21 -0.00 -1.93 -1.87 116.42 108.44 1dgk h ASP 657 Ca -0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.57 1dgk h ASP 657 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.51 1dgk h ASP 657 CO 0.61 0.26 0.11 0.71 -0.00 0.00 0.00 179.24 180.93 1dgk h THR 658 N 0.00 1.10 -0.46 1.15 1.35 -1.93 -0.42 112.91 113.71 1dgk h THR 658 Ca -0.00 -0.27 -0.08 0.00 -0.55 0.00 0.00 66.41 65.51 1dgk h THR 658 Cb 0.55 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1dgk h THR 658 CO 0.03 0.10 -0.02 0.58 -0.25 0.00 0.00 175.52 175.96 1dgk h VAL 659 N 0.23 1.26 -0.29 6.82 2.07 -1.82 -0.69 116.25 123.82 1dgk h VAL 659 Ca 0.07 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1dgk h VAL 659 Cb 0.06 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1dgk h VAL 659 CO -0.01 0.37 0.15 1.23 0.02 0.00 0.00 177.57 179.33 1dgk h GLY 660 N 0.66 0.39 0.80 2.17 0.00 -1.28 -1.76 103.07 104.05 1dgk h GLY 660 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.38 1dgk h GLY 660 CO 0.03 0.09 0.15 -0.84 0.00 0.00 0.00 176.54 175.96 1dgk h THR 661 N 0.31 0.96 -0.44 4.70 2.02 -0.67 0.06 112.91 119.85 1dgk h THR 661 Ca 0.12 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1dgk h THR 661 Cb 0.03 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 1dgk h THR 661 CO -0.08 0.06 0.12 -0.03 0.37 0.00 0.00 175.52 175.96 1dgk h MET 662 N 0.31 0.26 -0.30 6.66 4.05 -0.95 -1.57 114.93 123.39 1dgk h MET 662 Ca 0.14 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1dgk h MET 662 Cb 0.07 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1dgk h MET 662 CO -0.11 0.17 0.09 0.52 0.23 0.00 0.00 176.91 177.81 1dgk h MET 663 N 0.27 0.47 -0.47 0.39 2.86 -0.72 0.20 114.93 117.93 1dgk h MET 663 Ca 0.21 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.84 1dgk h MET 663 Cb 0.24 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.75 1dgk h MET 663 CO -0.25 0.53 -0.07 1.15 1.06 0.00 0.00 176.91 179.33 1dgk h THR 664 N 0.33 0.57 -0.21 2.22 2.02 -0.58 -1.40 112.91 115.86 1dgk h THR 664 Ca 0.10 -0.01 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 1dgk h THR 664 Cb 0.26 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1dgk h THR 664 CO -0.00 0.01 -0.47 0.00 0.37 0.00 0.00 175.52 175.42 1dgk n ALA 666 N -2.51 2.05 -0.27 0.00 0.00 0.68 -2.31 120.51 118.15 1dgk n ALA 666 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1dgk n ALA 666 Cb 0.56 -1.39 0.20 0.00 0.00 0.00 0.00 19.45 18.82 1dgk n ALA 666 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1dgk h TYR 667 N 0.00 0.57 0.00 0.00 3.20 -1.23 -2.78 116.97 116.73 1dgk h TYR 667 Ca 0.00 0.04 -0.28 0.00 3.14 0.00 0.00 58.73 61.63 1dgk h TYR 667 Cb 0.44 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 1dgk h TYR 667 CO 0.00 0.08 -2.29 0.39 -1.64 0.00 0.00 178.16 174.70 1dgk n GLU 668 N -4.97 0.68 -3.91 1.82 -0.58 -1.16 -4.92 120.64 107.60 1dgk n GLU 668 Ca 0.15 -0.06 -0.35 0.00 -0.42 0.00 0.00 57.16 56.48 1dgk n GLU 668 Cb 0.43 -1.52 -0.14 0.00 -0.57 0.00 0.00 31.44 29.64 1dgk n GLU 668 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1dgk s GLU 669 N -2.75 2.82 0.61 3.49 0.41 -0.98 -4.95 118.70 117.36 1dgk s GLU 669 Ca -0.09 -1.00 0.37 0.00 -0.41 0.00 0.00 54.97 53.84 1dgk s GLU 669 Cb 0.08 -3.09 2.00 0.00 -1.78 0.00 0.00 34.13 31.34 1dgk s GLU 669 CO 0.85 -0.44 2.25 -1.00 -0.49 0.00 0.00 175.26 176.43 1dgk h PRO 670 N 8.05 0.00 -0.01 0.39 0.13 -1.90 0.23 132.00 138.90 1dgk h PRO 670 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1dgk h PRO 670 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1dgk h PRO 670 CO 0.57 0.02 -0.23 0.25 -0.23 0.00 0.00 178.00 178.38 1dgk n THR 671 N -3.36 0.00 -2.34 1.56 -2.24 -1.26 -4.83 114.28 101.82 1dgk n THR 671 Ca -0.02 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1dgk n THR 671 Cb 0.13 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1dgk n THR 671 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dgk n GLU 673 N 8.48 1.26 -4.08 0.00 1.02 -1.06 -4.69 120.64 121.57 1dgk n GLU 673 Ca 0.15 -1.11 -0.14 0.00 -0.02 0.00 0.00 57.16 56.03 1dgk n GLU 673 Cb 0.49 -0.78 -0.14 0.00 -0.02 0.00 0.00 31.44 30.99 1dgk n GLU 673 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1dgk s VAL 674 N -0.63 0.34 0.01 2.62 1.01 -1.23 -1.37 120.40 121.15 1dgk s VAL 674 Ca 0.03 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1dgk s VAL 674 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 1dgk s VAL 674 CO 0.00 -0.02 -0.22 -0.83 0.00 0.00 0.00 175.10 174.03 1dgk s GLY 675 N -0.41 1.13 -0.01 4.51 0.00 -0.03 -0.67 107.32 111.83 1dgk s GLY 675 Ca -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1dgk s GLY 675 CO -0.00 -0.91 -0.03 -2.27 0.00 0.00 0.00 173.10 169.90 1dgk s LEU 676 N -0.85 1.71 -0.10 0.66 2.96 0.25 -1.55 118.68 121.76 1dgk s LEU 676 Ca 0.09 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1dgk s LEU 676 Cb -0.09 -0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.39 1dgk s LEU 676 CO 0.01 -0.00 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.19 1dgk s ILE 677 N 0.31 1.84 -0.48 6.68 -1.09 -0.32 -1.66 121.20 126.48 1dgk s ILE 677 Ca -0.03 -0.88 0.04 0.00 -2.23 0.00 0.00 60.65 57.55 1dgk s ILE 677 Cb -0.06 -1.61 0.17 0.00 -1.58 0.00 0.00 42.46 39.38 1dgk s ILE 677 CO -0.01 0.51 0.36 -0.69 -1.23 0.00 0.00 174.94 173.89 1dgk s VAL 678 N 0.50 0.96 0.00 2.92 1.01 -0.53 -2.09 120.40 123.16 1dgk s VAL 678 Ca -0.16 -2.97 0.00 0.00 0.00 0.00 0.00 61.98 58.85 1dgk s VAL 678 Cb -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1dgk s VAL 678 CO 0.06 -1.16 0.00 0.61 0.00 0.00 0.00 175.10 174.62 1dgk n GLY 679 N 2.74 4.12 0.24 4.51 0.00 -1.26 -2.34 105.19 113.19 1dgk n GLY 679 Ca 0.26 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 1dgk n GLY 679 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dgk h THR 680 N 0.00 0.87 -1.76 2.61 2.02 -1.94 0.23 112.91 114.94 1dgk h THR 680 Ca 0.00 -0.18 -0.60 0.00 0.77 0.00 0.00 66.41 66.41 1dgk h THR 680 Cb 0.00 0.30 -0.13 0.00 -1.74 0.00 0.00 68.15 66.58 1dgk h THR 680 CO 0.00 0.10 -0.54 -0.83 0.37 0.00 0.00 175.52 174.61 1dgk s GLY 681 N -3.06 2.65 0.03 2.16 0.00 -1.26 -2.06 107.32 105.78 1dgk s GLY 681 Ca -0.13 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.41 1dgk s GLY 681 CO 0.75 -1.99 -0.13 -0.45 0.00 0.00 0.00 173.10 171.28 1dgk s SER 682 N -3.69 1.53 0.14 1.64 0.15 -1.26 -4.14 113.70 108.07 1dgk s SER 682 Ca 0.21 -0.42 -0.25 0.00 0.70 0.00 0.00 55.95 56.20 1dgk s SER 682 Cb 0.04 -0.10 0.08 0.00 -1.71 0.00 0.00 66.02 64.33 1dgk s SER 682 CO 0.11 0.03 1.06 0.21 1.20 0.00 0.00 173.24 175.85 1dgk s ASN 683 N -1.02 -0.07 0.08 5.45 2.47 -0.89 -3.91 114.94 117.05 1dgk s ASN 683 Ca 0.01 -0.49 -0.21 0.00 0.42 0.00 0.00 52.86 52.60 1dgk s ASN 683 Cb -0.07 0.44 0.05 0.00 -1.45 0.00 0.00 41.25 40.21 1dgk s ASN 683 CO 0.01 -0.84 0.50 0.00 -3.72 0.00 0.00 177.10 173.05 1dgk s ALA 684 N -2.60 -1.25 0.06 1.71 0.00 -1.26 -1.17 121.76 117.25 1dgk s ALA 684 Ca 0.18 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1dgk s ALA 684 Cb -0.01 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1dgk s ALA 684 CO 0.03 -0.57 0.03 0.00 0.00 0.00 0.00 175.76 175.25 1dgk s TYR 686 N -3.81 -0.41 -0.34 0.00 -0.85 -1.03 -0.86 117.35 110.05 1dgk s TYR 686 Ca 0.06 0.54 -0.29 0.00 -0.52 0.00 0.00 57.07 56.86 1dgk s TYR 686 Cb 0.07 0.48 0.01 0.00 0.38 0.00 0.00 41.96 42.90 1dgk s TYR 686 CO -0.10 -0.48 1.19 -1.64 -1.52 0.00 0.00 175.55 173.00 1dgk s MET 687 N -1.97 3.93 0.20 -3.49 -1.94 -0.47 -1.45 119.30 114.12 1dgk s MET 687 Ca -0.01 1.06 0.05 0.00 -1.71 0.00 0.00 55.69 55.08 1dgk s MET 687 Cb -0.01 -3.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.97 1dgk s MET 687 CO -0.02 -1.09 0.23 -2.00 -0.01 0.00 0.00 175.02 172.13 1dgk s GLU 688 N 4.03 3.13 0.17 2.03 2.56 -0.54 -4.91 118.70 125.17 1dgk s GLU 688 Ca 0.51 -0.84 -0.29 0.00 0.00 0.00 0.00 54.97 54.35 1dgk s GLU 688 Cb -0.13 -2.74 -0.07 0.00 2.00 0.00 0.00 34.13 33.18 1dgk s GLU 688 CO 0.22 0.46 0.92 -1.21 -0.56 0.00 0.00 175.26 175.08 1dgk s GLU 689 N -3.50 4.74 0.47 4.30 0.41 -1.26 -0.66 118.70 123.20 1dgk s GLU 689 Ca 0.33 1.41 0.18 0.00 -0.41 0.00 0.00 54.97 56.48 1dgk s GLU 689 Cb -0.09 -3.32 1.16 0.00 -1.78 0.00 0.00 34.13 30.10 1dgk s GLU 689 CO 0.26 0.40 1.98 0.52 -0.49 0.00 0.00 175.26 177.93 1dgk h MET 690 N 4.79 0.25 0.00 1.61 2.86 -0.96 0.42 114.93 123.90 1dgk h MET 690 Ca -0.44 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.16 1dgk h MET 690 Cb 1.20 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1dgk h MET 690 CO 0.69 0.17 -0.12 1.57 1.06 0.00 0.00 176.91 180.28 1dgk h LYS 691 N 0.26 0.00 0.00 1.72 2.10 -1.78 -1.56 116.57 117.31 1dgk h LYS 691 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 1dgk h LYS 691 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1dgk h LYS 691 CO -0.06 0.12 -0.73 -0.91 -2.00 0.00 0.00 179.45 175.87 1dgk h ASN 692 N 0.00 0.00 -1.95 7.07 2.35 -1.29 -3.41 115.58 118.34 1dgk h ASN 692 Ca -0.00 -0.08 -0.72 0.00 -0.55 0.00 0.00 56.30 54.95 1dgk h ASN 692 Cb 0.29 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.50 1dgk h ASN 692 CO 0.02 0.04 1.45 -0.69 -1.65 0.00 0.00 177.43 176.60 1dgk s VAL 693 N -3.27 4.84 0.09 2.81 1.01 -0.59 -4.62 120.40 120.67 1dgk s VAL 693 Ca 0.03 -2.40 0.29 0.00 0.00 0.00 0.00 61.98 59.90 1dgk s VAL 693 Cb 0.10 -4.95 0.33 0.00 0.00 0.00 0.00 36.38 31.86 1dgk s VAL 693 CO 0.75 -1.69 1.90 -0.33 0.00 0.00 0.00 175.10 175.73 1dgk h GLU 694 N 7.41 0.00 0.00 2.72 5.08 -1.73 -2.82 114.58 125.24 1dgk h GLU 694 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1dgk h GLU 694 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1dgk h GLU 694 CO 1.27 0.09 0.00 -1.33 -1.00 0.00 0.00 179.01 178.04 1dgk n MET 695 N -3.22 0.55 -4.58 2.33 2.81 -1.25 -4.64 117.12 109.12 1dgk n MET 695 Ca 0.01 0.03 -0.29 0.00 -1.81 0.00 0.00 57.70 55.63 1dgk n MET 695 Cb 0.37 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.21 1dgk n MET 695 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1dgk s VAL 696 N -2.35 1.59 0.32 2.03 1.01 -1.06 -5.10 120.40 116.83 1dgk s VAL 696 Ca 0.31 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1dgk s VAL 696 Cb 0.18 -1.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 1dgk s VAL 696 CO 0.36 0.46 1.32 -0.70 0.00 0.00 0.00 175.10 176.54 1dgk s GLU 697 N 0.86 4.35 0.00 2.72 2.12 -1.26 -4.86 118.70 122.63 1dgk s GLU 697 Ca -0.09 2.22 0.00 0.00 0.36 0.00 0.00 54.97 57.46 1dgk s GLU 697 Cb -0.15 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1dgk s GLU 697 CO 0.00 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 1dgk n GLY 698 N 1.02 3.57 0.06 -1.50 0.00 -1.26 -5.00 105.19 102.07 1dgk n GLY 698 Ca 0.01 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 44.56 1dgk n GLY 698 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dgk n ASP 699 N 0.00 2.06 -4.50 1.61 8.00 -1.26 -4.46 116.55 118.00 1dgk n ASP 699 Ca 0.00 -2.59 -0.34 0.00 0.71 0.00 0.00 54.79 52.58 1dgk n ASP 699 Cb 0.00 -0.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.73 1dgk n ASP 699 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dgk s GLN 700 N -1.99 3.54 2.33 -1.24 -2.07 -1.26 -3.99 119.66 114.98 1dgk s GLN 700 Ca 0.18 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 1dgk s GLN 700 Cb 0.16 -2.85 0.00 0.00 -1.09 0.00 0.00 33.01 29.22 1dgk s GLN 700 CO 0.02 0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.69 1dgk n GLY 701 N 3.36 -1.04 3.60 2.60 0.00 -1.26 -4.69 105.19 107.76 1dgk n GLY 701 Ca -0.18 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1dgk n GLY 701 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dgk s GLN 702 N 0.00 1.93 -0.14 1.61 -0.21 -1.26 -0.36 119.66 121.23 1dgk s GLN 702 Ca 0.00 -2.13 -0.08 0.00 0.02 0.00 0.00 55.36 53.17 1dgk s GLN 702 Cb 0.00 -1.32 0.05 0.00 1.00 0.00 0.00 33.01 32.74 1dgk s GLN 702 CO 0.00 -0.20 0.34 1.41 -2.12 0.00 0.00 175.29 174.72 1dgk s MET 703 N -3.79 0.33 0.07 2.91 1.75 0.16 -4.51 119.30 116.22 1dgk s MET 703 Ca 0.28 0.65 -0.31 0.00 -1.25 0.00 0.00 55.69 55.06 1dgk s MET 703 Cb 0.07 -0.02 -0.06 0.00 2.84 0.00 0.00 34.83 37.66 1dgk s MET 703 CO 0.14 -0.14 1.28 0.00 -0.65 0.00 0.00 175.02 175.65 1dgk s ILE 705 N 1.29 3.90 -0.61 0.00 -1.09 -0.53 -1.89 121.20 122.27 1dgk s ILE 705 Ca 0.61 -0.34 -0.20 0.00 -2.23 0.00 0.00 60.65 58.49 1dgk s ILE 705 Cb -0.32 -2.73 0.09 0.00 -1.58 0.00 0.00 42.46 37.92 1dgk s ILE 705 CO 0.29 0.46 0.78 0.21 -1.23 0.00 0.00 174.94 175.45 1dgk s ASN 706 N 0.69 6.18 0.17 3.58 2.47 0.19 -2.46 114.94 125.77 1dgk s ASN 706 Ca -0.01 -1.27 -0.14 0.00 0.42 0.00 0.00 52.86 51.86 1dgk s ASN 706 Cb -0.14 -2.34 0.11 0.00 -1.45 0.00 0.00 41.25 37.43 1dgk s ASN 706 CO 0.02 -1.20 1.78 0.24 -3.72 0.00 0.00 177.10 174.22 1dgk h MET 707 N 9.29 0.44 -4.86 0.43 2.86 -1.63 -0.83 114.93 120.62 1dgk h MET 707 Ca -0.29 -0.03 -0.23 0.00 -2.06 0.00 0.00 59.70 57.09 1dgk h MET 707 Cb 1.08 -0.10 0.14 0.00 0.06 0.00 0.00 31.60 32.78 1dgk h MET 707 CO 1.12 0.29 -0.62 0.39 1.06 0.00 0.00 176.91 179.14 1dgk n GLU 708 N -4.91 -3.90 0.06 1.72 -0.58 -1.26 -1.88 120.64 109.89 1dgk n GLU 708 Ca 0.03 0.67 0.10 0.00 -0.42 0.00 0.00 57.16 57.54 1dgk n GLU 708 Cb 0.13 -5.03 0.43 0.00 -0.57 0.00 0.00 31.44 26.39 1dgk n GLU 708 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1dgk n TRP 709 N -3.22 0.39 -0.34 -0.32 4.27 -1.26 -3.22 117.44 113.74 1dgk n TRP 709 Ca -0.16 0.14 0.15 0.00 -3.89 0.00 0.00 57.50 53.74 1dgk n TRP 709 Cb 0.62 -0.73 0.35 0.00 -1.36 0.00 0.00 31.31 30.19 1dgk n TRP 709 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1dgk h GLY 710 N 2.98 1.83 1.57 -1.67 0.00 -1.91 0.19 103.07 106.08 1dgk h GLY 710 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1dgk h GLY 710 CO 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.37 1dgk n ALA 711 N -2.33 2.24 -1.59 3.60 0.00 -1.20 -1.97 120.51 119.26 1dgk n ALA 711 Ca 0.25 -0.11 -0.44 0.00 0.00 0.00 0.00 53.44 53.14 1dgk n ALA 711 Cb 0.67 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1dgk n ALA 711 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dgk n PHE 712 N -1.29 1.20 0.00 0.00 7.35 0.05 -0.39 117.46 124.39 1dgk n PHE 712 Ca 0.11 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 1dgk n PHE 712 Cb 0.20 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 37.79 1dgk n PHE 712 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dgk n GLY 713 N 1.22 2.42 0.18 7.13 0.00 -1.26 -2.53 105.19 112.35 1dgk n GLY 713 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1dgk n GLY 713 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dgk h ASP 714 N 0.00 0.00 -0.62 1.61 3.32 -1.01 -1.00 116.42 118.72 1dgk h ASP 714 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dgk h ASP 714 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1dgk h ASP 714 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 1dgk n ASN 715 N -2.46 3.35 0.00 6.45 6.94 -1.26 -4.93 115.26 123.34 1dgk n ASN 715 Ca 0.01 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 1dgk n ASN 715 Cb 0.19 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1dgk n ASN 715 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1dgk n GLY 716 N 1.50 0.76 0.00 4.83 0.00 -0.38 -4.95 105.19 106.95 1dgk n GLY 716 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 1dgk n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgk n LEU 718 N -1.33 1.81 0.20 0.00 4.77 -1.26 -4.80 117.00 116.38 1dgk n LEU 718 Ca 0.02 -2.69 0.04 0.00 -0.03 0.00 0.00 56.01 53.35 1dgk n LEU 718 Cb 0.04 -0.33 0.45 0.00 -2.33 0.00 0.00 43.42 41.26 1dgk n LEU 718 CO 0.04 0.70 0.87 0.44 -1.33 0.00 0.00 177.39 178.10 1dgk h ASP 719 N 0.19 0.04 0.74 -1.43 3.45 -1.54 -0.76 116.42 117.12 1dgk h ASP 719 Ca -0.01 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1dgk h ASP 719 Cb 1.14 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 1dgk h ASP 719 CO 0.01 0.25 0.00 -0.90 -1.57 0.00 0.00 179.24 177.03 1dgk n ASP 720 N -4.27 0.30 -0.00 6.45 3.85 -1.26 -3.02 116.55 118.60 1dgk n ASP 720 Ca -0.02 0.56 0.01 0.00 -0.71 0.00 0.00 54.79 54.63 1dgk n ASP 720 Cb 0.28 -0.63 -0.02 0.00 -1.35 0.00 0.00 41.12 39.40 1dgk n ASP 720 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 1dgk n ILE 721 N -1.82 0.00 -2.34 2.12 -5.35 -0.72 -5.01 119.36 106.25 1dgk n ILE 721 Ca 0.04 -0.38 -0.41 0.00 -0.27 0.00 0.00 62.75 61.72 1dgk n ILE 721 Cb 0.24 0.92 -0.03 0.00 -1.74 0.00 0.00 39.64 39.03 1dgk n ILE 721 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1dgk s ARG 722 N -1.38 4.49 0.65 6.28 0.52 -0.37 -4.96 118.95 124.17 1dgk s ARG 722 Ca 0.01 1.93 0.05 0.00 -0.52 0.00 0.00 55.73 57.20 1dgk s ARG 722 Cb 0.02 -3.21 0.11 0.00 0.52 0.00 0.00 34.95 32.39 1dgk s ARG 722 CO 0.11 -0.07 0.89 0.95 0.02 0.00 0.00 175.30 177.19 1dgk s THR 723 N -0.34 2.12 0.42 0.02 -4.23 -1.26 -4.93 115.64 107.44 1dgk s THR 723 Ca 0.52 -0.82 0.09 0.00 -1.18 0.00 0.00 61.69 60.30 1dgk s THR 723 Cb -0.34 -2.31 0.28 0.00 1.34 0.00 0.00 72.50 71.47 1dgk s THR 723 CO 0.39 0.00 2.05 -0.74 -0.54 0.00 0.00 174.62 175.78 1dgk h HIS 724 N -0.16 0.48 0.00 3.99 2.76 -1.99 -0.11 115.15 120.11 1dgk h HIS 724 Ca -0.32 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 57.73 1dgk h HIS 724 Cb 1.28 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 30.06 1dgk h HIS 724 CO 0.12 0.29 -0.62 1.88 -1.30 0.00 0.00 177.93 178.30 1dgk h TYR 725 N 0.50 0.00 -0.13 5.26 -1.99 -1.96 -1.56 116.97 117.10 1dgk h TYR 725 Ca 0.17 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.73 1dgk h TYR 725 Cb 0.06 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.79 1dgk h TYR 725 CO -0.00 0.62 -0.59 -0.44 -0.00 0.00 0.00 178.16 177.75 1dgk h ASP 726 N 0.00 0.75 -0.82 3.88 3.32 -1.52 -2.16 116.42 119.86 1dgk h ASP 726 Ca -0.01 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1dgk h ASP 726 Cb 1.23 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1dgk h ASP 726 CO 0.08 1.25 0.52 0.03 -1.72 0.00 0.00 179.24 179.40 1dgk h ARG 727 N 0.29 1.09 -0.36 3.56 3.08 -0.92 -0.69 114.38 120.43 1dgk h ARG 727 Ca -0.04 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1dgk h ARG 727 Cb 1.22 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1dgk h ARG 727 CO 0.12 0.75 0.20 -0.07 -1.07 0.00 0.00 179.97 179.89 1dgk h LEU 728 N 1.12 0.45 -0.42 3.04 3.38 -1.24 0.13 115.31 121.77 1dgk h LEU 728 Ca 0.30 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1dgk h LEU 728 Cb -0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1dgk h LEU 728 CO -0.06 0.41 0.23 0.58 0.09 0.00 0.00 178.44 179.69 1dgk h VAL 729 N 0.46 1.16 0.05 1.22 2.07 -0.63 -1.75 116.25 118.82 1dgk h VAL 729 Ca 0.13 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1dgk h VAL 729 Cb 0.06 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1dgk h VAL 729 CO -0.02 0.17 -0.02 -0.78 0.02 0.00 0.00 177.57 176.94 1dgk h ASP 730 N 0.55 -0.05 -0.38 0.57 3.58 -0.91 -2.62 116.42 117.15 1dgk h ASP 730 Ca 0.15 -0.16 0.06 0.00 0.42 0.00 0.00 57.03 57.50 1dgk h ASP 730 Cb 0.07 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1dgk h ASP 730 CO -0.02 0.13 0.26 -0.08 -2.88 0.00 0.00 179.24 176.65 1dgk h GLU 731 N -0.24 0.25 -0.18 0.28 4.81 -0.77 0.43 114.58 119.16 1dgk h GLU 731 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1dgk h GLU 731 Cb 0.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1dgk h GLU 731 CO 0.01 0.16 0.00 0.66 -0.73 0.00 0.00 179.01 179.11 1dgk n TYR 732 N -4.47 0.23 -2.06 0.92 4.02 -0.68 -4.88 117.16 110.24 1dgk n TYR 732 Ca 0.05 -0.11 -0.27 0.00 -0.01 0.00 0.00 57.90 57.55 1dgk n TYR 732 Cb 0.27 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.67 1dgk n TYR 732 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1dgk s SER 733 N -1.67 4.70 0.50 7.72 1.04 0.14 -4.99 113.70 121.15 1dgk s SER 733 Ca 0.34 0.63 0.29 0.00 0.48 0.00 0.00 55.95 57.69 1dgk s SER 733 Cb 0.20 -1.21 0.97 0.00 0.10 0.00 0.00 66.02 66.08 1dgk s SER 733 CO 0.29 -1.73 1.84 -0.07 0.98 0.00 0.00 173.24 174.56 1dgk h LEU 734 N -0.81 0.00 -6.02 2.42 3.38 -1.91 -3.30 115.31 109.08 1dgk h LEU 734 Ca -0.45 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.95 1dgk h LEU 734 Cb 1.32 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.67 1dgk h LEU 734 CO 0.63 0.04 -0.92 -0.46 0.09 0.00 0.00 178.44 177.82 1dgk n ASN 735 N -3.13 1.67 -4.71 -0.43 6.94 -1.26 -5.10 115.26 109.24 1dgk n ASN 735 Ca 0.02 -3.03 -0.42 0.00 -0.02 0.00 0.00 54.58 51.13 1dgk n ASN 735 Cb 0.40 -0.64 -0.03 0.00 -2.36 0.00 0.00 39.78 37.15 1dgk n ASN 735 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dgk s ALA 736 N -1.86 3.84 0.00 -2.53 0.00 -1.24 -1.61 121.76 118.36 1dgk s ALA 736 Ca 0.38 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1dgk s ALA 736 Cb 0.19 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1dgk s ALA 736 CO -0.08 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1dgk n GLY 737 N 3.94 0.31 3.54 0.00 0.00 -1.26 -5.04 105.19 106.68 1dgk n GLY 737 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1dgk n GLY 737 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgk s LYS 738 N -0.90 1.92 -1.44 1.61 -0.14 -0.63 -4.70 119.74 115.46 1dgk s LYS 738 Ca 0.00 -1.49 -0.09 0.00 -1.36 0.00 0.00 55.97 53.03 1dgk s LYS 738 Cb 0.00 -2.00 0.03 0.00 -1.68 0.00 0.00 37.83 34.18 1dgk s LYS 738 CO 0.00 0.38 0.98 1.04 -0.76 0.00 0.00 175.35 177.00 1dgk n GLN 739 N -0.35 -6.57 -0.29 1.68 1.13 -1.26 -4.92 117.38 106.80 1dgk n GLN 739 Ca -0.08 0.78 0.03 0.00 -1.94 0.00 0.00 57.00 55.79 1dgk n GLN 739 Cb 0.58 -5.75 0.17 0.00 0.11 0.00 0.00 30.24 25.35 1dgk n GLN 739 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dgk h ARG 740 N -2.21 0.79 -0.25 -1.09 3.08 -1.71 -1.71 114.38 111.28 1dgk h ARG 740 Ca -0.56 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.36 1dgk h ARG 740 Cb 1.37 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1dgk h ARG 740 CO 0.59 0.52 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.91 1dgk h TYR 741 N 0.81 0.65 -0.96 3.04 3.20 -1.10 -2.61 116.97 120.00 1dgk h TYR 741 Ca 0.40 -0.18 0.08 0.00 3.14 0.00 0.00 58.73 62.17 1dgk h TYR 741 Cb 0.35 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 1dgk h TYR 741 CO -0.06 0.85 0.61 1.49 -1.64 0.00 0.00 178.16 179.41 1dgk h GLU 742 N 0.27 1.02 0.00 1.82 4.81 -1.10 0.44 114.58 121.84 1dgk h GLU 742 Ca 0.05 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1dgk h GLU 742 Cb 0.70 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1dgk h GLU 742 CO 0.05 0.68 0.00 1.63 -0.73 0.00 0.00 179.01 180.63 1dgk n LYS 743 N -4.58 0.09 0.00 1.92 5.02 -0.68 -0.82 118.16 119.11 1dgk n LYS 743 Ca 0.16 0.37 0.10 0.00 -2.02 0.00 0.00 58.31 56.92 1dgk n LYS 743 Cb 0.24 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 1dgk n LYS 743 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1dgk n MET 744 N -1.84 0.17 -0.04 1.97 2.81 0.12 -4.58 117.12 115.72 1dgk n MET 744 Ca 0.02 -0.14 -0.08 0.00 -1.81 0.00 0.00 57.70 55.70 1dgk n MET 744 Cb 0.17 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 1dgk n MET 744 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1dgk n ILE 745 N -1.30 0.42 -1.84 2.02 5.41 -0.59 -4.24 119.36 119.24 1dgk n ILE 745 Ca 0.05 -0.09 -0.29 0.00 1.00 0.00 0.00 62.75 63.41 1dgk n ILE 745 Cb 0.35 -1.60 0.09 0.00 -0.71 0.00 0.00 39.64 37.77 1dgk n ILE 745 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1dgk s SER 746 N -5.66 4.49 0.34 4.38 1.04 0.00 -4.79 113.70 113.50 1dgk s SER 746 Ca -0.10 0.87 0.07 0.00 0.48 0.00 0.00 55.95 57.26 1dgk s SER 746 Cb 0.04 -1.42 0.74 0.00 0.10 0.00 0.00 66.02 65.49 1dgk s SER 746 CO 0.13 -1.92 1.87 1.23 0.98 0.00 0.00 173.24 175.53 1dgk h GLY 747 N -1.06 1.27 2.00 7.32 0.00 -0.58 -0.95 103.07 111.06 1dgk h GLY 747 Ca -0.46 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 1dgk h GLY 747 CO 0.65 0.13 -0.19 1.98 0.00 0.00 0.00 176.54 179.11 1dgk h MET 748 N 0.78 0.00 0.00 4.80 1.85 -1.56 -3.38 114.93 117.41 1dgk h MET 748 Ca 0.44 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 59.42 1dgk h MET 748 Cb 0.60 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.61 1dgk h MET 748 CO -0.20 0.19 -1.42 0.66 -0.40 0.00 0.00 176.91 175.73 1dgk n TYR 749 N -3.40 0.00 -0.23 1.39 4.02 -0.45 -4.77 117.16 113.72 1dgk n TYR 749 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 1dgk n TYR 749 Cb 0.39 -0.30 0.11 0.00 -0.02 0.00 0.00 39.34 39.51 1dgk n TYR 749 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1dgk h LEU 750 N 0.00 0.49 -0.82 7.72 3.38 -1.49 -2.12 115.31 122.48 1dgk h LEU 750 Ca -0.17 0.04 0.15 0.00 0.09 0.00 0.00 57.88 57.99 1dgk h LEU 750 Cb 1.36 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 1dgk h LEU 750 CO 0.01 0.31 0.39 1.23 0.09 0.00 0.00 178.44 180.47 1dgk h GLY 751 N 0.63 1.30 2.00 0.83 0.00 -1.81 0.35 103.07 106.37 1dgk h GLY 751 Ca 0.31 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1dgk h GLY 751 CO -0.22 -0.06 -0.33 0.83 0.00 0.00 0.00 176.54 176.76 1dgk h GLU 752 N 0.56 0.00 -0.14 4.80 4.39 -1.63 0.12 114.58 122.68 1dgk h GLU 752 Ca 0.45 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.12 1dgk h GLU 752 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1dgk h GLU 752 CO -0.38 0.33 -0.04 0.82 -1.16 0.00 0.00 179.01 178.59 1dgk h ILE 753 N 0.00 1.29 0.04 3.13 2.04 -0.68 -1.78 117.51 121.55 1dgk h ILE 753 Ca -0.00 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1dgk h ILE 753 Cb 0.65 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1dgk h ILE 753 CO 0.04 0.29 -0.05 0.58 0.00 0.00 0.00 178.15 179.01 1dgk h VAL 754 N -0.03 0.88 -0.79 1.67 2.07 -0.96 -1.38 116.25 117.70 1dgk h VAL 754 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.70 1dgk h VAL 754 Cb 0.46 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.02 1dgk h VAL 754 CO 0.01 0.00 0.35 -0.09 0.02 0.00 0.00 177.57 177.87 1dgk h ARG 755 N -0.11 0.49 -0.10 1.57 2.43 -0.70 0.13 114.38 118.08 1dgk h ARG 755 Ca 0.01 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1dgk h ARG 755 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1dgk h ARG 755 CO -0.02 0.32 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.37 1dgk h ASN 756 N 0.50 0.28 -0.33 -3.80 2.35 -0.79 -0.94 115.58 112.85 1dgk h ASN 756 Ca 0.44 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.96 1dgk h ASN 756 Cb 0.66 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1dgk h ASN 756 CO -0.39 0.72 -0.18 0.40 -1.65 0.00 0.00 177.43 176.33 1dgk h ILE 757 N 0.21 1.29 -0.33 2.81 2.04 0.06 -2.76 117.51 120.83 1dgk h ILE 757 Ca 0.01 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1dgk h ILE 757 Cb 0.93 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1dgk h ILE 757 CO 0.08 0.42 0.18 -0.07 0.00 0.00 0.00 178.15 178.75 1dgk h LEU 758 N 0.48 0.41 -0.26 1.44 3.38 -0.42 -1.25 115.31 119.09 1dgk h LEU 758 Ca 0.07 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1dgk h LEU 758 Cb 0.72 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1dgk h LEU 758 CO 0.05 0.39 -0.12 0.40 0.09 0.00 0.00 178.44 179.25 1dgk h ILE 759 N 0.41 0.61 -0.51 1.22 2.04 -1.17 0.41 117.51 120.52 1dgk h ILE 759 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.05 1dgk h ILE 759 Cb 0.07 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1dgk h ILE 759 CO -0.02 0.00 0.18 -0.78 0.00 0.00 0.00 178.15 177.53 1dgk h ASP 760 N -0.09 0.18 -0.32 1.72 -0.00 -1.18 -1.12 116.42 115.61 1dgk h ASP 760 Ca 0.14 0.06 -0.08 0.00 -0.00 0.00 0.00 57.03 57.15 1dgk h ASP 760 Cb 0.30 0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.65 1dgk h ASP 760 CO -0.32 0.13 -0.07 -0.26 -0.00 0.00 0.00 179.24 178.72 1dgk h PHE 761 N 0.36 0.78 -0.55 0.28 0.05 -0.28 -1.75 116.94 115.82 1dgk h PHE 761 Ca 0.25 -0.12 -0.10 0.00 3.82 0.00 0.00 57.97 61.81 1dgk h PHE 761 Cb 0.27 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.99 1dgk h PHE 761 CO -0.16 0.77 -0.04 1.15 -0.18 0.00 0.00 178.31 179.84 1dgk h THR 762 N 0.67 1.27 -0.16 -1.55 2.02 0.78 -1.30 112.91 114.64 1dgk h THR 762 Ca 0.12 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 1dgk h THR 762 Cb 0.51 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1dgk h THR 762 CO 0.03 0.42 -0.07 0.11 0.37 0.00 0.00 175.52 176.37 1dgk h LYS 763 N 0.89 0.24 -0.00 6.66 1.57 -0.97 -0.66 116.57 124.29 1dgk h LYS 763 Ca 0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1dgk h LYS 763 Cb 0.59 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1dgk h LYS 763 CO 0.04 0.33 -0.04 1.63 -0.57 0.00 0.00 179.45 180.84 1dgk n LYS 764 N -4.33 0.51 -0.85 3.15 5.02 -0.68 -4.92 118.16 116.06 1dgk n LYS 764 Ca -0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1dgk n LYS 764 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1dgk n LYS 764 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dgk n GLY 765 N 1.28 0.50 0.02 0.72 0.00 -0.25 -4.97 105.19 102.48 1dgk n GLY 765 Ca 0.14 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1dgk n GLY 765 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dgk n PHE 766 N -2.85 0.15 -3.92 1.61 3.72 -0.55 -4.69 117.46 110.92 1dgk n PHE 766 Ca 0.00 0.04 -0.09 0.00 -0.05 0.00 0.00 57.45 57.35 1dgk n PHE 766 Cb 0.00 -0.38 -0.09 0.00 -0.94 0.00 0.00 39.48 38.07 1dgk n PHE 766 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1dgk s LEU 767 N -3.33 1.77 -0.59 4.37 1.43 -1.24 -4.96 118.68 116.13 1dgk s LEU 767 Ca 0.10 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1dgk s LEU 767 Cb 0.17 0.62 0.00 0.00 0.03 0.00 0.00 46.19 47.01 1dgk s LEU 767 CO 0.69 -0.51 0.00 0.49 0.23 0.00 0.00 176.35 177.26 1dgk n PHE 768 N 0.79 -1.66 -1.28 0.29 3.72 -1.26 -2.12 117.46 115.93 1dgk n PHE 768 Ca -0.19 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.11 1dgk n PHE 768 Cb 0.58 -1.98 -0.04 0.00 -0.94 0.00 0.00 39.48 37.10 1dgk n PHE 768 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1dgk n ARG 769 N -2.65 -1.06 -0.97 -1.08 1.74 -1.26 -2.24 116.66 109.14 1dgk n ARG 769 Ca -0.08 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1dgk n ARG 769 Cb 0.56 -4.85 0.00 0.00 -1.02 0.00 0.00 32.46 27.14 1dgk n ARG 769 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dgk n GLY 770 N -1.02 0.59 3.43 -0.13 0.00 -0.90 -5.02 105.19 102.13 1dgk n GLY 770 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 1dgk n GLY 770 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dgk s GLN 771 N -0.03 3.11 -0.82 1.61 -1.52 -0.95 -4.70 119.66 116.36 1dgk s GLN 771 Ca 0.00 -0.97 -0.26 0.00 -1.95 0.00 0.00 55.36 52.19 1dgk s GLN 771 Cb 0.00 -4.21 0.03 0.00 -0.22 0.00 0.00 33.01 28.61 1dgk s GLN 771 CO 0.00 -1.61 1.42 0.42 -0.25 0.00 0.00 175.29 175.27 1dgk s ILE 772 N 3.38 3.74 0.08 1.08 -1.09 -1.26 -4.93 121.20 122.19 1dgk s ILE 772 Ca 0.18 -0.01 -0.31 0.00 -2.23 0.00 0.00 60.65 58.28 1dgk s ILE 772 Cb -0.19 -4.83 -0.07 0.00 -1.58 0.00 0.00 42.46 35.79 1dgk s ILE 772 CO 0.10 -1.75 1.34 -0.94 -1.23 0.00 0.00 174.94 172.46 1dgk s SER 773 N 4.73 6.89 0.47 3.58 1.04 -1.26 -4.82 113.70 124.33 1dgk s SER 773 Ca 0.43 2.22 0.35 0.00 0.48 0.00 0.00 55.95 59.43 1dgk s SER 773 Cb -0.06 -2.58 1.21 0.00 0.10 0.00 0.00 66.02 64.69 1dgk s SER 773 CO 0.07 -0.62 1.21 -0.62 0.98 0.00 0.00 173.24 174.26 1dgk n GLU 774 N 4.16 0.00 0.15 4.02 -0.58 -1.26 0.29 120.64 127.42 1dgk n GLU 774 Ca 0.11 0.87 0.12 0.00 -0.42 0.00 0.00 57.16 57.85 1dgk n GLU 774 Cb 0.43 -2.07 0.22 0.00 -0.57 0.00 0.00 31.44 29.46 1dgk n GLU 774 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1dgk h THR 775 N 0.00 0.00 -0.06 2.62 1.35 -1.91 -3.15 112.91 111.76 1dgk h THR 775 Ca 0.66 -0.76 -0.15 0.00 -0.55 0.00 0.00 66.41 65.60 1dgk h THR 775 Cb 2.90 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 70.94 1dgk h THR 775 CO -0.01 0.00 -0.64 0.25 -0.25 0.00 0.00 175.52 174.87 1dgk h LEU 776 N 0.00 0.27 0.00 3.87 5.85 0.40 -2.09 115.31 123.61 1dgk h LEU 776 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1dgk h LEU 776 Cb 0.88 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1dgk h LEU 776 CO 0.00 0.84 0.00 0.29 -0.34 0.00 0.00 178.44 179.23 1dgk n LYS 777 N -3.84 0.34 -3.13 1.25 5.02 -0.94 -4.67 118.16 112.19 1dgk n LYS 777 Ca -0.03 0.08 -0.44 0.00 -2.02 0.00 0.00 58.31 55.90 1dgk n LYS 777 Cb 0.64 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 1dgk n LYS 777 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1dgk s THR 778 N -2.52 4.83 0.28 -0.18 2.01 -0.79 -5.05 115.64 114.23 1dgk s THR 778 Ca 0.21 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.40 1dgk s THR 778 Cb 0.14 -4.35 -0.14 0.00 0.01 0.00 0.00 72.50 68.16 1dgk s THR 778 CO 0.32 -0.89 0.95 -2.11 -0.69 0.00 0.00 174.62 172.20 1dgk n ARG 779 N 6.29 1.20 0.00 4.92 1.85 -1.26 -2.66 116.66 127.00 1dgk n ARG 779 Ca -0.07 0.42 0.00 0.00 -1.00 0.00 0.00 57.85 57.21 1dgk n ARG 779 Cb 0.45 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 1dgk n ARG 779 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dgk n GLY 780 N 1.30 3.25 0.30 2.89 0.00 -1.26 -4.91 105.19 106.76 1dgk n GLY 780 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1dgk n GLY 780 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1dgk h ILE 781 N 0.00 0.72 -0.89 -0.61 1.08 -1.84 -2.41 117.51 113.56 1dgk h ILE 781 Ca 0.00 0.00 -0.55 0.00 -0.39 0.00 0.00 64.86 63.92 1dgk h ILE 781 Cb 0.00 0.94 -0.13 0.00 -3.07 0.00 0.00 36.82 34.56 1dgk h ILE 781 CO 0.00 0.00 1.21 0.49 -0.69 0.00 0.00 178.15 179.16 1dgk n PHE 782 N -4.16 1.79 -1.18 1.37 3.01 -1.26 -4.96 117.46 112.07 1dgk n PHE 782 Ca -0.01 -2.26 -0.38 0.00 1.01 0.00 0.00 57.45 55.82 1dgk n PHE 782 Cb 0.19 -1.64 0.03 0.00 -0.01 0.00 0.00 39.48 38.05 1dgk n PHE 782 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1dgk n GLU 783 N 1.55 0.06 -0.01 -1.08 1.02 -0.91 -4.21 120.64 117.05 1dgk n GLU 783 Ca 0.55 0.03 0.14 0.00 -0.02 0.00 0.00 57.16 57.85 1dgk n GLU 783 Cb 0.47 -1.16 0.57 0.00 -0.02 0.00 0.00 31.44 31.31 1dgk n GLU 783 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1dgk n THR 784 N -1.95 0.03 -0.15 2.62 -1.04 -1.26 -2.46 114.28 110.07 1dgk n THR 784 Ca 0.06 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.05 61.77 1dgk n THR 784 Cb 0.50 0.31 0.00 0.00 -1.82 0.00 0.00 70.33 69.33 1dgk n THR 784 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1dgk h LYS 785 N 1.92 0.62 -0.00 -2.82 3.64 -1.93 -2.37 116.57 115.63 1dgk h LYS 785 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1dgk h LYS 785 Cb 0.41 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1dgk h LYS 785 CO 0.00 0.50 -0.02 1.19 -2.27 0.00 0.00 179.45 178.85 1dgk n PHE 786 N -4.69 0.00 0.09 1.91 3.72 -1.03 -3.27 117.46 114.18 1dgk n PHE 786 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 1dgk n PHE 786 Cb 0.09 -0.24 -0.06 0.00 -0.94 0.00 0.00 39.48 38.33 1dgk n PHE 786 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1dgk h LEU 787 N 0.08 0.00 0.20 4.37 7.12 -1.26 -2.09 115.31 123.73 1dgk h LEU 787 Ca 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 57.88 57.70 1dgk h LEU 787 Cb 0.26 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.41 1dgk h LEU 787 CO 0.00 0.76 -1.42 0.28 -0.13 0.00 0.00 178.44 177.93 1dgk h SER 788 N 0.00 0.66 -0.13 1.25 0.02 -1.55 -3.17 113.55 110.62 1dgk h SER 788 Ca -0.04 -0.92 0.01 0.00 -0.84 0.00 0.00 61.79 60.00 1dgk h SER 788 Cb 1.61 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1dgk h SER 788 CO 0.09 1.66 0.04 1.56 -1.14 0.00 0.00 176.83 179.05 1dgk h GLN 789 N -0.02 0.11 0.00 3.45 4.20 -1.62 -2.59 115.11 118.64 1dgk h GLN 789 Ca -0.27 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1dgk h GLN 789 Cb 2.00 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 1dgk h GLN 789 CO 0.20 0.07 -0.36 0.82 -0.67 0.00 0.00 178.83 178.89 1dgk h ILE 790 N 0.11 1.16 -0.04 2.54 2.04 -1.52 -3.28 117.51 118.52 1dgk h ILE 790 Ca 0.06 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1dgk h ILE 790 Cb 0.03 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1dgk h ILE 790 CO -0.06 0.35 0.00 -0.62 0.00 0.00 0.00 178.15 177.83 1dgk n GLU 791 N -3.97 1.19 -3.37 2.37 1.02 -0.98 -4.33 120.64 112.57 1dgk n GLU 791 Ca -0.02 -0.28 -0.14 0.00 -0.02 0.00 0.00 57.16 56.70 1dgk n GLU 791 Cb 0.41 -1.34 -0.08 0.00 -0.02 0.00 0.00 31.44 30.41 1dgk n GLU 791 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1dgk s SER 792 N -1.63 1.20 0.00 1.62 1.04 -1.23 -4.96 113.70 109.74 1dgk s SER 792 Ca 0.31 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1dgk s SER 792 Cb 0.15 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1dgk s SER 792 CO 0.24 -0.37 0.00 -0.90 0.98 0.00 0.00 173.24 173.19 1dgk n ASP 793 N 5.33 1.58 -0.35 7.02 5.75 -1.26 -4.86 116.55 129.77 1dgk n ASP 793 Ca -0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 1dgk n ASP 793 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1dgk n ASP 793 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dgk n ARG 794 N -0.02 2.90 -0.00 0.11 1.74 -1.26 -4.99 116.66 115.14 1dgk n ARG 794 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1dgk n ARG 794 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 1dgk n ARG 794 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1dgk n LEU 795 N 0.00 0.04 0.12 0.55 7.99 -1.26 -3.69 117.00 120.75 1dgk n LEU 795 Ca 0.00 -0.07 0.12 0.00 -0.01 0.00 0.00 56.01 56.05 1dgk n LEU 795 Cb 0.00 0.00 0.27 0.00 -0.11 0.00 0.00 43.42 43.58 1dgk n LEU 795 CO 0.00 0.01 0.69 0.00 -1.51 0.00 0.00 177.39 176.58 1dgk h ALA 796 N 0.53 0.87 -2.72 -1.18 0.00 -2.02 -3.45 119.26 111.30 1dgk h ALA 796 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1dgk h ALA 796 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1dgk h ALA 796 CO 0.00 0.00 -0.31 1.28 0.00 0.00 0.00 179.25 180.22 1dgk n LEU 797 N -2.43 -1.16 0.30 0.00 4.77 -1.24 -4.64 117.00 112.59 1dgk n LEU 797 Ca 0.04 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.44 1dgk n LEU 797 Cb 0.46 -2.19 0.89 0.00 -2.33 0.00 0.00 43.42 40.26 1dgk n LEU 797 CO 0.33 -0.38 1.06 0.25 -1.33 0.00 0.00 177.39 177.32 1dgk h LEU 798 N 0.00 0.00 -0.04 2.23 5.85 -1.88 0.77 115.31 122.23 1dgk h LEU 798 Ca -0.31 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1dgk h LEU 798 Cb 1.10 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1dgk h LEU 798 CO 0.40 0.03 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.90 1dgk h GLN 799 N 0.00 0.09 0.00 1.25 5.75 -1.95 -2.96 115.11 117.29 1dgk h GLN 799 Ca -0.00 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1dgk h GLN 799 Cb 0.28 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 1dgk h GLN 799 CO 0.00 0.48 -0.00 0.28 -2.65 0.00 0.00 178.83 176.94 1dgk h VAL 800 N -0.31 0.02 -0.02 2.39 2.07 0.19 -2.78 116.25 117.82 1dgk h VAL 800 Ca 0.01 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1dgk h VAL 800 Cb 0.46 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1dgk h VAL 800 CO 0.01 0.00 -0.09 -0.09 0.02 0.00 0.00 177.57 177.42 1dgk h ARG 801 N 0.00 0.09 -0.11 1.57 2.43 -1.23 -2.72 114.38 114.41 1dgk h ARG 801 Ca -0.00 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1dgk h ARG 801 Cb 0.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1dgk h ARG 801 CO 0.00 0.75 -0.37 0.00 -1.51 0.00 0.00 179.97 178.84 1dgk h ALA 802 N 0.34 1.18 0.80 2.80 0.00 -1.39 0.36 119.26 123.37 1dgk h ALA 802 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1dgk h ALA 802 Cb 0.77 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1dgk h ALA 802 CO 0.02 0.55 -0.39 0.82 0.00 0.00 0.00 179.25 180.25 1dgk h ILE 803 N 0.19 0.07 -0.04 0.00 2.04 -1.58 0.59 117.51 118.78 1dgk h ILE 803 Ca 0.02 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1dgk h ILE 803 Cb 0.74 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1dgk h ILE 803 CO 0.06 0.01 -0.20 -0.07 0.00 0.00 0.00 178.15 177.94 1dgk h LEU 804 N -1.24 0.06 0.07 1.44 3.38 -1.20 -2.86 115.31 114.95 1dgk h LEU 804 Ca -0.11 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1dgk h LEU 804 Cb 0.84 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1dgk h LEU 804 CO 0.18 0.27 -0.40 -0.61 0.09 0.00 0.00 178.44 177.98 1dgk h GLN 805 N 0.06 0.14 -0.65 1.13 4.15 -0.30 0.16 115.11 119.81 1dgk h GLN 805 Ca 0.01 -0.24 0.10 0.00 0.77 0.00 0.00 58.65 59.30 1dgk h GLN 805 Cb 0.40 0.09 -0.12 0.00 0.21 0.00 0.00 27.48 28.06 1dgk h GLN 805 CO 0.03 1.11 -0.39 1.96 -1.93 0.00 0.00 178.83 179.61 1dgk h GLN 806 N -0.71 -0.16 0.14 1.69 4.20 -0.81 0.25 115.11 119.71 1dgk h GLN 806 Ca -0.07 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1dgk h GLN 806 Cb 1.30 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 1dgk h GLN 806 CO 0.07 -0.11 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.88 1dgk h LEU 807 N -0.17 -0.48 0.00 1.46 3.38 -1.63 -3.47 115.31 114.39 1dgk h LEU 807 Ca 0.22 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1dgk h LEU 807 Cb 0.56 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1dgk h LEU 807 CO -0.73 -0.22 0.00 0.61 0.09 0.00 0.00 178.44 178.19 1dgk n GLY 808 N -1.18 0.00 2.17 0.83 0.00 0.86 -4.95 105.19 102.92 1dgk n GLY 808 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1dgk n GLY 808 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dgk n LEU 809 N 0.00 0.00 -3.65 0.99 4.77 0.50 -4.92 117.00 114.69 1dgk n LEU 809 Ca 0.00 -1.50 -0.28 0.00 -0.03 0.00 0.00 56.01 54.20 1dgk n LEU 809 Cb 0.00 -0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 40.79 1dgk n LEU 809 CO 0.00 -0.54 -0.34 0.21 -1.33 0.00 0.00 177.39 175.39 1dgk s ASN 810 N -2.93 3.29 0.64 -1.43 3.04 -1.26 -3.55 114.94 112.74 1dgk s ASN 810 Ca 0.27 -1.14 -0.10 0.00 0.04 0.00 0.00 52.86 51.93 1dgk s ASN 810 Cb -0.02 -0.52 -0.02 0.00 -1.54 0.00 0.00 41.25 39.15 1dgk s ASN 810 CO 0.17 -0.38 1.03 -0.44 -3.04 0.00 0.00 177.10 174.43 1dgk s SER 811 N 1.93 5.95 0.34 -4.21 0.01 -1.26 -4.83 113.70 111.63 1dgk s SER 811 Ca 0.05 1.26 0.08 0.00 1.31 0.00 0.00 55.95 58.66 1dgk s SER 811 Cb -0.17 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1dgk s SER 811 CO -0.22 -1.01 0.12 -0.89 0.41 0.00 0.00 173.24 171.65 1dgk s THR 812 N -3.20 2.94 0.27 1.44 2.01 -1.26 -4.98 115.64 112.87 1dgk s THR 812 Ca 0.55 -1.75 0.17 0.00 0.31 0.00 0.00 61.69 60.97 1dgk s THR 812 Cb -0.11 -2.94 0.12 0.00 0.01 0.00 0.00 72.50 69.57 1dgk s THR 812 CO 0.52 -0.18 1.78 0.00 -0.69 0.00 0.00 174.62 176.05 1dgk h ASP 814 N 0.00 0.93 0.24 0.00 3.32 -2.01 -2.74 116.42 116.17 1dgk h ASP 814 Ca -0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1dgk h ASP 814 Cb 0.79 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1dgk h ASP 814 CO 0.05 0.92 -0.26 0.44 -1.72 0.00 0.00 179.24 178.67 1dgk h ASP 815 N 0.91 -0.71 -0.77 6.45 3.32 -1.50 -2.53 116.42 121.59 1dgk h ASP 815 Ca 0.20 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.44 1dgk h ASP 815 Cb 0.34 0.24 -0.14 0.00 0.22 0.00 0.00 39.33 39.99 1dgk h ASP 815 CO -0.00 -0.33 -0.32 0.28 -1.72 0.00 0.00 179.24 177.15 1dgk h SER 816 N -0.50 -1.15 -0.50 6.45 0.02 -1.18 0.57 113.55 117.26 1dgk h SER 816 Ca -0.03 0.26 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1dgk h SER 816 Cb 0.44 0.61 -0.09 0.00 0.14 0.00 0.00 62.40 63.50 1dgk h SER 816 CO -0.04 -0.29 -0.56 0.40 -1.14 0.00 0.00 176.83 175.19 1dgk h ILE 817 N -0.08 0.00 -0.32 3.27 2.04 -1.39 0.39 117.51 121.43 1dgk h ILE 817 Ca 0.30 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.24 1dgk h ILE 817 Cb 0.58 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 1dgk h ILE 817 CO -0.81 0.00 -0.19 0.25 0.00 0.00 0.00 178.15 177.40 1dgk h LEU 818 N -0.34 -0.63 -0.51 1.44 5.85 -0.50 0.37 115.31 120.99 1dgk h LEU 818 Ca 0.09 0.14 0.10 0.00 0.84 0.00 0.00 57.88 59.04 1dgk h LEU 818 Cb 0.57 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.85 1dgk h LEU 818 CO -0.65 -0.23 0.04 0.58 -0.34 0.00 0.00 178.44 177.84 1dgk h VAL 819 N -0.15 0.64 -0.71 1.05 2.07 0.09 -0.55 116.25 118.68 1dgk h VAL 819 Ca 0.17 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1dgk h VAL 819 Cb 0.40 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1dgk h VAL 819 CO -0.41 0.03 0.35 0.50 0.02 0.00 0.00 177.57 178.05 1dgk h LYS 820 N 0.16 1.03 -0.75 1.57 3.64 0.14 -1.91 116.57 120.45 1dgk h LYS 820 Ca 0.26 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1dgk h LYS 820 Cb 0.38 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1dgk h LYS 820 CO -0.39 0.80 0.45 1.15 -2.27 0.00 0.00 179.45 179.19 1dgk h THR 821 N 1.00 1.21 -0.22 1.00 2.02 0.65 -1.82 112.91 116.75 1dgk h THR 821 Ca 0.25 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1dgk h THR 821 Cb 0.11 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1dgk h THR 821 CO -0.03 0.22 0.11 0.58 0.37 0.00 0.00 175.52 176.77 1dgk h VAL 822 N 1.02 1.13 -0.57 3.16 2.07 -0.73 -1.83 116.25 120.52 1dgk h VAL 822 Ca 0.27 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 67.52 1dgk h VAL 822 Cb -0.04 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1dgk h VAL 822 CO -0.05 0.13 0.09 0.00 0.02 0.00 0.00 177.57 177.76 1dgk h GLY 824 N 0.22 1.30 1.00 0.00 0.00 -0.93 0.42 103.07 105.08 1dgk h GLY 824 Ca 0.30 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1dgk h GLY 824 CO -0.40 0.62 0.24 -2.08 0.00 0.00 0.00 176.54 174.91 1dgk h VAL 825 N 1.20 1.23 -0.07 4.60 2.07 -0.54 0.57 116.25 125.30 1dgk h VAL 825 Ca 0.29 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1dgk h VAL 825 Cb 0.13 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1dgk h VAL 825 CO -0.04 0.28 -0.06 0.58 0.02 0.00 0.00 177.57 178.35 1dgk h VAL 826 N 0.84 1.36 -0.09 2.57 2.07 -0.98 -2.19 116.25 119.83 1dgk h VAL 826 Ca 0.20 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 1dgk h VAL 826 Cb 0.20 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1dgk h VAL 826 CO -0.02 0.32 -0.45 0.77 0.02 0.00 0.00 177.57 178.22 1dgk h SER 827 N -0.25 0.22 -0.32 0.57 4.64 -0.81 -1.61 113.55 115.99 1dgk h SER 827 Ca 0.01 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1dgk h SER 827 Cb 0.55 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1dgk h SER 827 CO 0.02 0.64 -0.13 -0.09 -0.87 0.00 0.00 176.83 176.40 1dgk h ARG 828 N 0.17 0.66 -0.60 4.77 2.43 -0.89 -1.57 114.38 119.35 1dgk h ARG 828 Ca 0.01 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1dgk h ARG 828 Cb 0.86 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1dgk h ARG 828 CO 0.07 0.86 0.14 -0.09 -1.51 0.00 0.00 179.97 179.44 1dgk h ARG 829 N 0.43 0.96 -0.08 0.20 2.43 -1.22 -0.02 114.38 117.08 1dgk h ARG 829 Ca 0.08 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1dgk h ARG 829 Cb 0.64 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1dgk h ARG 829 CO 0.04 0.88 -0.11 0.00 -1.51 0.00 0.00 179.97 179.27 1dgk h ALA 830 N 1.04 -0.06 -0.32 2.80 0.00 -1.04 -0.27 119.26 121.42 1dgk h ALA 830 Ca 0.19 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1dgk h ALA 830 Cb 0.36 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1dgk h ALA 830 CO 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 179.25 178.64 1dgk h ALA 831 N 0.89 1.36 -0.14 0.00 0.00 -1.03 -1.35 119.26 118.99 1dgk h ALA 831 Ca 0.07 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1dgk h ALA 831 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1dgk h ALA 831 CO -0.17 0.44 -0.56 1.96 0.00 0.00 0.00 179.25 180.92 1dgk h GLN 832 N 0.47 0.42 0.04 0.00 4.20 -0.55 -1.40 115.11 118.30 1dgk h GLN 832 Ca 0.10 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1dgk h GLN 832 Cb 0.36 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1dgk h GLN 832 CO 0.01 0.86 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.95 1dgk h LEU 833 N 0.32 -0.05 -0.51 1.46 3.38 -0.82 -1.27 115.31 117.83 1dgk h LEU 833 Ca 0.00 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.81 1dgk h LEU 833 Cb 1.07 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 1dgk h LEU 833 CO 0.10 0.22 0.11 0.00 0.09 0.00 0.00 178.44 178.96 1dgk h GLY 835 N 0.25 1.29 1.81 0.00 0.00 -1.03 -0.25 103.07 105.14 1dgk h GLY 835 Ca 0.25 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1dgk h GLY 835 CO -0.33 0.13 -0.45 0.00 0.00 0.00 0.00 176.54 175.90 1dgk h ALA 836 N 1.45 1.08 -0.05 3.60 0.00 -0.38 0.41 119.26 125.37 1dgk h ALA 836 Ca 0.40 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1dgk h ALA 836 Cb 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1dgk h ALA 836 CO -0.25 0.61 -0.42 0.78 0.00 0.00 0.00 179.25 179.97 1dgk h GLY 837 N 1.29 0.42 1.68 0.00 0.00 -0.98 -2.77 103.07 102.70 1dgk h GLY 837 Ca 0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1dgk h GLY 837 CO 0.07 0.56 0.05 1.98 0.00 0.00 0.00 176.54 179.20 1dgk h MET 838 N -0.12 0.41 -0.18 4.80 -1.53 -0.44 -1.13 114.93 116.74 1dgk h MET 838 Ca -0.04 -0.06 -0.05 0.00 -3.44 0.00 0.00 59.70 56.11 1dgk h MET 838 Cb 1.10 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 32.06 1dgk h MET 838 CO 0.09 0.40 -0.09 0.00 0.14 0.00 0.00 176.91 177.44 1dgk h ALA 839 N 1.66 1.51 -0.21 0.39 0.00 -0.11 -2.11 119.26 120.38 1dgk h ALA 839 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1dgk h ALA 839 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dgk h ALA 839 CO -0.00 0.35 -0.16 0.00 0.00 0.00 0.00 179.25 179.44 1dgk h ALA 840 N 1.64 0.31 0.29 0.00 0.00 -0.94 -2.66 119.26 117.90 1dgk h ALA 840 Ca 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1dgk h ALA 840 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1dgk h ALA 840 CO 0.02 0.20 -0.14 0.28 0.00 0.00 0.00 179.25 179.61 1dgk h VAL 841 N 0.18 0.72 -0.25 0.00 2.07 -0.97 -1.46 116.25 116.54 1dgk h VAL 841 Ca 0.04 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1dgk h VAL 841 Cb 0.68 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1dgk h VAL 841 CO 0.04 0.01 -0.11 -0.37 0.02 0.00 0.00 177.57 177.16 1dgk h VAL 842 N -0.42 1.21 0.00 2.57 -1.51 -1.44 -1.82 116.25 114.84 1dgk h VAL 842 Ca -0.04 -0.91 -0.11 0.00 -1.23 0.00 0.00 66.70 64.42 1dgk h VAL 842 Cb 0.32 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 1dgk h VAL 842 CO 0.07 0.29 -0.50 0.44 -1.23 0.00 0.00 177.57 176.64 1dgk h ASP 843 N 0.38 0.00 -0.33 4.19 3.32 -1.44 -0.73 116.42 121.81 1dgk h ASP 843 Ca 0.07 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1dgk h ASP 843 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1dgk h ASP 843 CO 0.02 0.50 -0.19 0.50 -1.72 0.00 0.00 179.24 178.36 1dgk h LYS 844 N 0.00 0.71 -0.48 3.56 3.64 -0.56 -0.03 116.57 123.41 1dgk h LYS 844 Ca -0.01 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1dgk h LYS 844 Cb 1.13 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1dgk h LYS 844 CO 0.07 0.93 0.19 0.82 -2.27 0.00 0.00 179.45 179.19 1dgk h ILE 845 N 0.49 1.21 0.82 2.00 2.04 -0.98 0.60 117.51 123.68 1dgk h ILE 845 Ca 0.07 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1dgk h ILE 845 Cb 0.73 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1dgk h ILE 845 CO 0.05 0.24 -0.39 -0.09 0.00 0.00 0.00 178.15 177.96 1dgk h ARG 846 N 0.64 -1.06 -0.55 2.37 2.43 -1.08 -2.25 114.38 114.89 1dgk h ARG 846 Ca 0.16 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1dgk h ARG 846 Cb 0.19 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1dgk h ARG 846 CO -0.01 -0.70 0.30 0.93 -1.51 0.00 0.00 179.97 178.97 1dgk h GLU 847 N -1.18 0.56 0.00 0.20 5.08 -0.84 -1.36 114.58 117.04 1dgk h GLU 847 Ca -0.11 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1dgk h GLU 847 Cb 0.86 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1dgk h GLU 847 CO 0.19 0.37 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.60 1dgk h ASN 848 N 0.58 0.00 -0.51 1.42 -0.26 0.30 -1.33 115.58 115.78 1dgk h ASN 848 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1dgk h ASN 848 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1dgk h ASN 848 CO -0.14 0.05 0.00 0.54 -1.06 0.00 0.00 177.43 176.82 1dgk n ARG 849 N -4.45 2.29 -2.89 0.81 1.74 -0.54 -4.93 116.66 108.69 1dgk n ARG 849 Ca -0.03 -1.87 -0.21 0.00 -0.77 0.00 0.00 57.85 54.97 1dgk n ARG 849 Cb 0.14 -1.44 0.03 0.00 -1.02 0.00 0.00 32.46 30.16 1dgk n ARG 849 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dgk n GLY 850 N 1.26 -0.46 3.89 -0.13 0.00 -0.50 -4.98 105.19 104.27 1dgk n GLY 850 Ca 0.17 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1dgk n GLY 850 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dgk s LEU 851 N -6.26 4.20 0.08 0.99 1.43 -1.03 -5.00 118.68 113.08 1dgk s LEU 851 Ca 0.25 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1dgk s LEU 851 Cb -0.11 -2.80 -0.25 0.00 0.03 0.00 0.00 46.19 43.06 1dgk s LEU 851 CO 0.30 0.13 1.16 0.44 0.23 0.00 0.00 176.35 178.61 1dgk h ASP 852 N 2.79 0.53 -4.95 2.29 3.45 -1.93 -3.43 116.42 115.17 1dgk h ASP 852 Ca -0.47 -0.52 -0.17 0.00 0.43 0.00 0.00 57.03 56.30 1dgk h ASP 852 Cb 1.17 -0.17 -0.15 0.00 -0.56 0.00 0.00 39.33 39.62 1dgk h ASP 852 CO 0.71 1.38 -0.69 -0.13 -1.57 0.00 0.00 179.24 178.94 1dgk s ARG 853 N -2.81 0.71 -0.03 3.56 1.81 -1.26 -4.85 118.95 116.08 1dgk s ARG 853 Ca -0.05 -1.26 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 1dgk s ARG 853 Cb 0.07 0.02 0.03 0.00 -0.45 0.00 0.00 34.95 34.62 1dgk s ARG 853 CO 0.89 -0.07 0.00 -1.17 -0.68 0.00 0.00 175.30 174.28 1dgk s LEU 854 N -2.95 1.14 -0.30 2.53 2.96 -0.76 -4.98 118.68 116.32 1dgk s LEU 854 Ca 0.09 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1dgk s LEU 854 Cb 0.06 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.57 1dgk s LEU 854 CO -0.07 -0.11 0.08 0.20 -1.32 0.00 0.00 176.35 175.13 1dgk s ASN 855 N 1.04 5.15 -0.01 3.68 0.01 -1.26 -0.22 114.94 123.34 1dgk s ASN 855 Ca -0.09 -0.78 -0.01 0.00 -0.71 0.00 0.00 52.86 51.26 1dgk s ASN 855 Cb -0.13 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.65 1dgk s ASN 855 CO -0.02 -0.21 0.02 0.54 -1.51 0.00 0.00 177.10 175.91 1dgk s VAL 856 N 1.48 0.01 -0.07 1.60 0.11 -0.89 -4.94 120.40 117.70 1dgk s VAL 856 Ca 0.02 -0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1dgk s VAL 856 Cb -0.18 -0.07 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1dgk s VAL 856 CO 0.02 -0.05 0.11 -0.89 -3.33 0.00 0.00 175.10 170.96 1dgk s THR 857 N -0.14 5.07 -0.20 5.04 2.01 -0.23 -1.49 115.64 125.69 1dgk s THR 857 Ca -0.02 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 1dgk s THR 857 Cb -0.01 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.24 1dgk s THR 857 CO -0.00 0.50 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.66 1dgk s VAL 858 N -1.09 3.08 -0.02 3.82 1.01 0.45 -2.55 120.40 125.10 1dgk s VAL 858 Ca 0.19 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 1dgk s VAL 858 Cb -0.12 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1dgk s VAL 858 CO 0.09 0.46 0.78 -0.83 0.00 0.00 0.00 175.10 175.60 1dgk s GLY 859 N 1.30 2.74 0.12 4.51 0.00 0.16 -1.06 107.32 115.10 1dgk s GLY 859 Ca 0.04 0.27 0.07 0.00 0.00 0.00 0.00 44.72 45.10 1dgk s GLY 859 CO -0.04 1.27 -0.17 0.14 0.00 0.00 0.00 173.10 174.30 1dgk s VAL 860 N 0.57 1.53 0.36 1.40 1.01 -0.46 -0.58 120.40 124.22 1dgk s VAL 860 Ca 0.41 -1.70 -0.16 0.00 0.00 0.00 0.00 61.98 60.54 1dgk s VAL 860 Cb -0.19 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1dgk s VAL 860 CO 0.22 -0.29 0.75 -0.62 0.00 0.00 0.00 175.10 175.15 1dgk s ASP 861 N -2.33 0.01 0.00 3.32 -1.08 -0.67 -0.90 116.67 115.03 1dgk s ASP 861 Ca 0.09 -1.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.06 1dgk s ASP 861 Cb -0.07 0.81 0.00 0.00 -1.46 0.00 0.00 42.92 42.20 1dgk s ASP 861 CO 0.04 -1.58 0.00 0.61 0.52 0.00 0.00 175.17 174.76 1dgk n GLY 862 N -0.52 3.50 0.22 2.66 0.00 -1.26 -1.46 105.19 108.34 1dgk n GLY 862 Ca -0.07 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 1dgk n GLY 862 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dgk h THR 863 N 0.09 1.30 -0.68 2.61 2.02 -1.88 -0.32 112.91 116.04 1dgk h THR 863 Ca 0.00 -1.74 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 1dgk h THR 863 Cb 0.00 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1dgk h THR 863 CO 0.00 0.55 0.30 0.25 0.37 0.00 0.00 175.52 177.00 1dgk h LEU 864 N 0.49 0.91 -0.26 2.58 5.85 -1.84 0.29 115.31 123.33 1dgk h LEU 864 Ca -0.00 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1dgk h LEU 864 Cb 1.14 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1dgk h LEU 864 CO 0.12 0.81 0.10 0.22 -0.34 0.00 0.00 178.44 179.34 1dgk h TYR 865 N 0.95 0.39 -0.15 1.25 3.20 -1.36 -0.84 116.97 120.42 1dgk h TYR 865 Ca 0.23 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1dgk h TYR 865 Cb 0.16 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1dgk h TYR 865 CO 0.01 0.41 0.01 0.87 -1.64 0.00 0.00 178.16 177.82 1dgk h LYS 866 N 0.26 0.26 0.00 1.82 1.57 -0.73 -3.36 116.57 116.39 1dgk h LYS 866 Ca 0.08 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1dgk h LYS 866 Cb 0.19 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1dgk h LYS 866 CO -0.01 0.47 -1.25 -0.07 -0.57 0.00 0.00 179.45 178.02 1dgk h LEU 867 N 0.01 0.00 -9.71 2.94 3.38 -0.41 -3.47 115.31 108.05 1dgk h LEU 867 Ca 0.04 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.49 1dgk h LEU 867 Cb 0.35 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.15 1dgk h LEU 867 CO 0.01 0.60 0.76 -2.28 0.09 0.00 0.00 178.44 177.62 1dgk s HIS 868 N -2.91 3.06 0.34 1.13 2.46 -0.32 -4.90 115.29 114.15 1dgk s HIS 868 Ca -0.02 1.00 0.05 0.00 0.47 0.00 0.00 55.06 56.56 1dgk s HIS 868 Cb 0.08 -3.80 0.61 0.00 -0.13 0.00 0.00 32.58 29.35 1dgk s HIS 868 CO 0.80 -2.65 1.86 -1.00 -2.47 0.00 0.00 174.74 171.28 1dgk h PRO 869 N 5.37 0.46 0.00 2.88 0.13 -1.90 -3.33 132.00 135.61 1dgk h PRO 869 Ca -0.45 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1dgk h PRO 869 Cb 1.22 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1dgk h PRO 869 CO 0.80 0.54 -0.45 0.72 -0.23 0.00 0.00 178.00 179.37 1dgk n HIS 870 N -4.25 0.00 0.14 1.56 8.25 -1.26 -4.80 115.22 114.85 1dgk n HIS 870 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1dgk n HIS 870 Cb 0.27 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 1dgk n HIS 870 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1dgk h PHE 871 N 0.00 -1.22 -0.40 4.41 3.57 -1.90 -1.11 116.94 120.30 1dgk h PHE 871 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1dgk h PHE 871 Cb 0.09 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1dgk h PHE 871 CO 0.00 -0.54 0.25 0.66 -2.23 0.00 0.00 178.31 176.45 1dgk h SER 872 N -0.70 0.47 -0.22 0.41 4.64 -1.82 0.65 113.55 116.97 1dgk h SER 872 Ca 0.01 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1dgk h SER 872 Cb 0.71 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1dgk h SER 872 CO -0.22 0.37 -0.04 -0.09 -0.87 0.00 0.00 176.83 175.98 1dgk h ARG 873 N 0.53 0.02 -0.59 4.77 2.43 -1.83 -0.24 114.38 119.46 1dgk h ARG 873 Ca 0.14 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1dgk h ARG 873 Cb -0.03 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1dgk h ARG 873 CO -0.03 0.01 0.29 0.82 -1.51 0.00 0.00 179.97 179.56 1dgk h ILE 874 N 0.02 1.21 -0.57 1.20 2.04 -0.90 -0.72 117.51 119.78 1dgk h ILE 874 Ca 0.11 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 1dgk h ILE 874 Cb 0.16 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1dgk h ILE 874 CO -0.21 0.24 0.03 -0.03 0.00 0.00 0.00 178.15 178.17 1dgk h MET 875 N 0.81 0.96 -0.43 2.37 4.05 -0.57 -0.86 114.93 121.26 1dgk h MET 875 Ca 0.20 -0.27 -0.12 0.00 -0.28 0.00 0.00 59.70 59.23 1dgk h MET 875 Cb 0.11 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1dgk h MET 875 CO -0.03 0.93 -0.22 0.45 0.23 0.00 0.00 176.91 178.28 1dgk h HIS 876 N 0.89 0.98 -0.61 1.39 3.86 -0.87 -1.86 115.15 118.94 1dgk h HIS 876 Ca 0.17 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1dgk h HIS 876 Cb 0.48 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1dgk h HIS 876 CO 0.03 1.00 0.35 0.37 0.86 0.00 0.00 177.93 180.54 1dgk h GLN 877 N 0.75 0.84 -0.25 2.45 4.15 -0.82 -1.79 115.11 120.44 1dgk h GLN 877 Ca 0.10 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1dgk h GLN 877 Cb 0.76 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1dgk h GLN 877 CO 0.06 0.62 0.12 1.15 -1.93 0.00 0.00 178.83 178.85 1dgk h THR 878 N 0.82 1.00 -0.80 2.39 2.02 -0.99 -0.58 112.91 116.77 1dgk h THR 878 Ca 0.22 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.39 1dgk h THR 878 Cb 0.01 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 1dgk h THR 878 CO -0.04 0.05 0.46 0.58 0.37 0.00 0.00 175.52 176.94 1dgk h VAL 879 N 0.26 0.95 -0.59 3.16 2.07 -1.02 0.15 116.25 121.22 1dgk h VAL 879 Ca 0.10 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1dgk h VAL 879 Cb 0.02 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1dgk h VAL 879 CO -0.07 0.15 0.05 0.50 0.02 0.00 0.00 177.57 178.22 1dgk h LYS 880 N 0.81 0.99 -0.19 1.57 3.64 -0.79 -0.15 116.57 122.44 1dgk h LYS 880 Ca 0.37 -0.27 -0.20 0.00 -1.27 0.00 0.00 60.65 59.28 1dgk h LYS 880 Cb 0.29 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1dgk h LYS 880 CO -0.22 0.94 -0.68 0.93 -2.27 0.00 0.00 179.45 178.15 1dgk h GLU 881 N 0.92 0.75 0.00 1.90 5.08 -0.39 -3.14 114.58 119.69 1dgk h GLU 881 Ca 0.18 -0.55 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1dgk h GLU 881 Cb 0.46 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1dgk h GLU 881 CO 0.02 1.17 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.52 1dgk h LEU 882 N 0.54 0.00 -6.22 1.33 3.38 -0.58 -3.37 115.31 110.39 1dgk h LEU 882 Ca -0.02 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.37 1dgk h LEU 882 Cb 1.29 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.64 1dgk h LEU 882 CO 0.14 0.20 -0.93 -1.20 0.09 0.00 0.00 178.44 176.74 1dgk n SER 883 N -2.98 0.97 0.31 -0.43 7.64 -0.08 -4.96 113.62 114.09 1dgk n SER 883 Ca 0.00 -2.81 0.18 0.00 1.01 0.00 0.00 58.87 57.25 1dgk n SER 883 Cb 0.63 -0.64 1.04 0.00 -1.01 0.00 0.00 64.21 64.24 1dgk n SER 883 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1dgk h PRO 884 N 4.53 0.00 -0.10 1.43 0.13 -1.72 -1.87 132.00 134.40 1dgk h PRO 884 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1dgk h PRO 884 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1dgk h PRO 884 CO 0.54 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.94 1dgk n LYS 885 N -3.54 1.94 -4.37 0.86 5.02 -1.26 -4.77 118.16 112.04 1dgk n LYS 885 Ca -0.03 -1.38 -0.35 0.00 -2.02 0.00 0.00 58.31 54.53 1dgk n LYS 885 Cb 0.08 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 1dgk n LYS 885 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dgk s ASN 887 N -0.67 5.22 -0.24 0.00 3.84 0.70 -4.91 114.94 118.88 1dgk s ASN 887 Ca 0.11 -2.01 -0.10 0.00 0.21 0.00 0.00 52.86 51.07 1dgk s ASN 887 Cb -0.12 -1.81 -0.05 0.00 -0.55 0.00 0.00 41.25 38.72 1dgk s ASN 887 CO 0.02 -0.52 0.13 -0.69 -2.79 0.00 0.00 177.10 173.25 1dgk s VAL 888 N 1.13 5.09 -0.23 -5.21 1.01 -1.26 -2.10 120.40 118.82 1dgk s VAL 888 Ca 0.08 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1dgk s VAL 888 Cb -0.22 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1dgk s VAL 888 CO -0.04 0.35 0.15 -0.55 0.00 0.00 0.00 175.10 175.00 1dgk s SER 889 N 1.14 6.10 -0.33 3.32 0.15 -0.56 -5.00 113.70 118.53 1dgk s SER 889 Ca 0.06 0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 1dgk s SER 889 Cb -0.14 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 62.07 1dgk s SER 889 CO 0.05 0.09 0.19 -0.36 1.20 0.00 0.00 173.24 174.41 1dgk s PHE 890 N 0.90 3.20 -0.27 3.44 0.40 -1.26 -0.41 117.98 123.98 1dgk s PHE 890 Ca 0.07 -0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 55.87 1dgk s PHE 890 Cb -0.13 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 40.99 1dgk s PHE 890 CO 0.03 -0.44 0.05 -0.51 0.70 0.00 0.00 175.22 175.06 1dgk s LEU 891 N 1.65 3.61 0.05 -0.37 1.02 -0.22 -4.96 118.68 119.47 1dgk s LEU 891 Ca 0.05 -0.59 -0.31 0.00 0.02 0.00 0.00 54.13 53.30 1dgk s LEU 891 Cb -0.17 -1.86 -0.07 0.00 0.02 0.00 0.00 46.19 44.11 1dgk s LEU 891 CO 0.08 -0.14 1.47 -0.22 0.02 0.00 0.00 176.35 177.57 1dgk s LEU 892 N 1.51 4.34 0.32 1.79 2.96 -1.26 -1.36 118.68 126.98 1dgk s LEU 892 Ca 0.03 2.29 -0.29 0.00 -0.22 0.00 0.00 54.13 55.94 1dgk s LEU 892 Cb -0.16 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 1dgk s LEU 892 CO 0.01 -0.75 1.38 -0.44 -1.32 0.00 0.00 176.35 175.23 1dgk s SER 893 N 1.81 6.64 -0.15 3.68 0.01 -0.08 -4.88 113.70 120.74 1dgk s SER 893 Ca 0.67 2.77 -0.08 0.00 1.31 0.00 0.00 55.95 60.61 1dgk s SER 893 Cb -0.35 -2.65 -0.24 0.00 0.21 0.00 0.00 66.02 62.99 1dgk s SER 893 CO 0.29 -0.66 0.27 -0.62 0.41 0.00 0.00 173.24 172.94 1dgk n GLU 894 N 1.12 0.72 0.00 12.44 1.02 -1.26 -4.48 120.64 130.20 1dgk n GLU 894 Ca 0.02 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 1dgk n GLU 894 Cb 0.41 -1.69 0.46 0.00 -0.02 0.00 0.00 31.44 30.60 1dgk n GLU 894 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1dgk n ASP 895 N -3.63 0.34 0.00 1.62 8.00 -1.26 -5.06 116.55 116.56 1dgk n ASP 895 Ca -0.34 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1dgk n ASP 895 Cb 0.98 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1dgk n ASP 895 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dgk n GLY 896 N 1.45 -3.15 0.27 0.44 0.00 -1.26 -4.35 105.19 98.59 1dgk n GLY 896 Ca 0.08 -1.80 0.16 0.00 0.00 0.00 0.00 46.02 44.46 1dgk n GLY 896 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dgk h SER 897 N 0.00 0.00 -0.44 1.61 0.02 -1.91 -3.37 113.55 109.47 1dgk h SER 897 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1dgk h SER 897 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1dgk h SER 897 CO 0.00 0.07 -0.24 1.23 -1.14 0.00 0.00 176.83 176.75 1dgk h GLY 898 N 1.43 0.03 0.83 -3.77 0.00 -1.90 0.75 103.07 100.44 1dgk h GLY 898 Ca -0.00 0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.67 1dgk h GLY 898 CO 0.01 -0.21 0.37 1.70 0.00 0.00 0.00 176.54 178.41 1dgk h LYS 899 N -0.15 0.71 -0.42 4.80 3.64 -1.82 -1.63 116.57 121.69 1dgk h LYS 899 Ca 0.21 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 1dgk h LYS 899 Cb 0.48 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1dgk h LYS 899 CO -0.53 0.47 -0.18 0.78 -2.27 0.00 0.00 179.45 177.71 1dgk h GLY 900 N 0.73 0.89 1.54 5.01 0.00 -1.56 -1.09 103.07 108.59 1dgk h GLY 900 Ca 0.26 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1dgk h GLY 900 CO -0.12 0.67 -0.01 0.00 0.00 0.00 0.00 176.54 177.08 1dgk h ALA 901 N 1.07 1.31 -0.35 3.60 0.00 -0.53 -1.43 119.26 122.92 1dgk h ALA 901 Ca 0.11 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1dgk h ALA 901 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1dgk h ALA 901 CO 0.05 0.47 -0.25 0.00 0.00 0.00 0.00 179.25 179.52 1dgk h ALA 902 N 1.45 0.51 -0.69 0.00 0.00 -1.14 0.15 119.26 119.54 1dgk h ALA 902 Ca 0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1dgk h ALA 902 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1dgk h ALA 902 CO 0.01 0.50 0.34 -0.07 0.00 0.00 0.00 179.25 180.04 1dgk h LEU 903 N 0.58 0.88 -0.31 0.00 3.38 -0.90 -0.37 115.31 118.58 1dgk h LEU 903 Ca 0.07 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1dgk h LEU 903 Cb 0.82 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1dgk h LEU 903 CO 0.07 0.74 0.03 0.40 0.09 0.00 0.00 178.44 179.77 1dgk h ILE 904 N 0.98 1.24 -0.86 1.22 2.04 -0.85 -2.32 117.51 118.96 1dgk h ILE 904 Ca 0.24 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.28 1dgk h ILE 904 Cb 0.08 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1dgk h ILE 904 CO -0.03 0.28 0.56 0.74 0.00 0.00 0.00 178.15 179.70 1dgk h THR 905 N 0.34 1.14 -0.21 -0.27 2.02 -0.38 -0.68 112.91 114.88 1dgk h THR 905 Ca 0.09 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1dgk h THR 905 Cb 0.38 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1dgk h THR 905 CO 0.01 0.19 0.10 0.00 0.37 0.00 0.00 175.52 176.19 1dgk h ALA 906 N 1.50 0.27 -0.66 6.16 0.00 -0.76 0.70 119.26 126.46 1dgk h ALA 906 Ca 0.34 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1dgk h ALA 906 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1dgk h ALA 906 CO -0.10 -0.18 0.13 0.28 0.00 0.00 0.00 179.25 179.39 1dgk h VAL 907 N 0.21 1.26 -0.18 0.00 2.07 -1.25 0.12 116.25 118.48 1dgk h VAL 907 Ca 0.07 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1dgk h VAL 907 Cb 0.11 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1dgk h VAL 907 CO -0.01 0.38 -0.17 1.23 0.02 0.00 0.00 177.57 179.02 1dgk h GLY 908 N 1.00 -0.06 0.65 2.17 0.00 -0.65 0.87 103.07 107.05 1dgk h GLY 908 Ca 0.20 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1dgk h GLY 908 CO 0.01 -0.16 -0.41 -2.08 0.00 0.00 0.00 176.54 173.90 1dgk h VAL 909 N -0.18 0.18 -0.77 4.60 2.07 -0.38 -2.61 116.25 119.15 1dgk h VAL 909 Ca 0.11 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.81 1dgk h VAL 909 Cb 0.35 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 30.16 1dgk h VAL 909 CO -0.29 0.00 -0.00 -0.09 0.02 0.00 0.00 177.57 177.21 1dgk h ARG 910 N -0.88 0.09 0.00 1.57 2.43 0.42 0.54 114.38 118.55 1dgk h ARG 910 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1dgk h ARG 910 Cb 0.76 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1dgk h ARG 910 CO -0.02 0.06 0.00 1.28 -1.51 0.00 0.00 179.97 179.78 1dgk n LEU 911 N -5.36 0.00 0.11 3.80 4.77 0.29 -0.87 117.00 119.74 1dgk n LEU 911 Ca 0.14 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1dgk n LEU 911 Cb 0.48 -0.37 0.43 0.00 -2.33 0.00 0.00 43.42 41.63 1dgk n LEU 911 CO 0.04 -0.25 0.88 0.54 -1.33 0.00 0.00 177.39 177.27 1dgk n ARG 912 N -1.37 0.24 0.00 3.23 1.74 0.19 -5.07 116.66 115.62 1dgk n ARG 912 Ca 0.04 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1dgk n ARG 912 Cb 0.09 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1dgk n ARG 912 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52