#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vko n MET 27 N 0.00 -0.15 -0.79 -0.41 2.81 -1.26 -1.88 117.12 115.43 2vko n MET 27 Ca 0.00 0.99 0.05 0.00 -1.81 0.00 0.00 57.70 56.93 2vko n MET 27 Cb 0.00 -1.47 0.09 0.00 -0.71 0.00 0.00 33.22 31.13 2vko n MET 27 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2vko n ASN 28 N -3.75 1.22 0.20 7.83 0.23 -1.26 -4.51 115.26 115.22 2vko n ASN 28 Ca 0.01 -2.72 0.06 0.00 -0.53 0.00 0.00 54.58 51.40 2vko n ASN 28 Cb 0.09 -0.37 0.41 0.00 -2.08 0.00 0.00 39.78 37.83 2vko n ASN 28 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2vko h LEU 29 N 0.62 0.00 -0.16 -4.53 -0.00 -1.95 -2.74 115.31 106.54 2vko h LEU 29 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.75 2vko h LEU 29 Cb 1.39 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.05 2vko h LEU 29 CO 0.03 0.34 -0.10 0.00 -0.00 0.00 0.00 178.44 178.72 2vko h ALA 30 N 1.66 0.23 0.41 1.53 0.00 -1.61 0.51 119.26 121.99 2vko h ALA 30 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2vko h ALA 30 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2vko h ALA 30 CO 0.04 0.06 -0.19 0.28 0.00 0.00 0.00 179.25 179.44 2vko h VAL 31 N 0.02 0.60 -0.71 0.00 2.07 -1.82 -2.54 116.25 113.87 2vko h VAL 31 Ca 0.03 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2vko h VAL 31 Cb 0.59 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2vko h VAL 31 CO 0.03 0.01 0.47 0.50 0.02 0.00 0.00 177.57 178.59 2vko h LYS 32 N -0.57 0.75 0.92 1.57 3.64 -1.47 -2.16 116.57 119.25 2vko h LYS 32 Ca -0.06 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2vko h LYS 32 Cb 0.43 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2vko h LYS 32 CO 0.09 0.50 -0.49 -0.07 -2.27 0.00 0.00 179.45 177.20 2vko h LEU 33 N 0.77 -1.21 -1.76 5.20 3.38 -0.83 -1.08 115.31 119.79 2vko h LEU 33 Ca 0.30 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 2vko h LEU 33 Cb 0.20 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2vko h LEU 33 CO -0.10 -0.80 -0.15 0.71 0.09 0.00 0.00 178.44 178.20 2vko h THR 34 N -1.30 0.97 -0.35 0.22 1.35 -1.27 0.11 112.91 112.64 2vko h THR 34 Ca -0.12 -0.54 -0.04 0.00 -0.55 0.00 0.00 66.41 65.15 2vko h THR 34 Cb 1.02 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 2vko h THR 34 CO 0.17 0.15 0.05 -0.09 -0.25 0.00 0.00 175.52 175.55 2vko h ARG 35 N 0.00 0.59 -0.34 4.72 2.43 -1.30 0.14 114.38 120.62 2vko h ARG 35 Ca -0.00 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2vko h ARG 35 Cb 0.29 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2vko h ARG 35 CO 0.02 0.66 0.21 0.52 -1.51 0.00 0.00 179.97 179.87 2vko h MET 36 N 0.42 0.45 -0.54 0.20 2.86 -0.34 -0.80 114.93 117.18 2vko h MET 36 Ca 0.11 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 2vko h MET 36 Cb 0.36 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 2vko h MET 36 CO 0.01 0.34 0.19 0.93 1.06 0.00 0.00 176.91 179.43 2vko h GLU 37 N 0.44 0.35 -0.49 1.72 5.08 -0.56 0.19 114.58 121.30 2vko h GLU 37 Ca 0.12 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2vko h GLU 37 Cb -0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2vko h GLU 37 CO -0.02 0.23 0.22 0.87 -1.00 0.00 0.00 179.01 179.31 2vko h LYS 38 N 0.36 0.72 -0.12 2.33 1.57 -0.55 -1.92 116.57 118.95 2vko h LYS 38 Ca 0.27 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 2vko h LYS 38 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2vko h LYS 38 CO -0.28 0.62 -0.43 0.00 -0.57 0.00 0.00 179.45 178.79 2vko h THR 39 N 0.65 1.31 -0.48 -0.16 1.03 -0.61 -2.04 112.91 112.61 2vko h THR 39 Ca 0.17 -1.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.00 2vko h THR 39 Cb 0.15 1.69 -0.02 0.00 -1.07 0.00 0.00 68.15 68.89 2vko h THR 39 CO -0.02 0.47 0.31 -0.07 -0.01 0.00 0.00 175.52 176.20 2vko h LEU 40 N 0.24 0.56 -0.95 0.00 3.38 -0.47 -1.27 115.31 116.79 2vko h LEU 40 Ca 0.02 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2vko h LEU 40 Cb 0.85 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2vko h LEU 40 CO 0.07 0.42 -0.04 0.07 0.09 0.00 0.00 178.44 179.05 2vko h LYS 41 N 0.65 0.71 -0.27 1.13 2.10 -1.12 -0.26 116.57 119.51 2vko h LYS 41 Ca 0.17 -0.20 0.03 0.00 -2.00 0.00 0.00 60.65 58.65 2vko h LYS 41 Cb -0.05 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.17 2vko h LYS 41 CO -0.04 0.76 0.11 0.00 -2.00 0.00 0.00 179.45 178.28 2vko h ALA 42 N 1.29 0.32 -0.29 0.07 0.00 -1.18 0.16 119.26 119.64 2vko h ALA 42 Ca 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2vko h ALA 42 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2vko h ALA 42 CO 0.02 -0.29 -0.03 1.88 0.00 0.00 0.00 179.25 180.83 2vko h TYR 43 N 0.24 0.47 -0.35 0.00 0.99 -1.00 -1.07 116.97 116.25 2vko h TYR 43 Ca 0.12 -0.05 -0.15 0.00 2.00 0.00 0.00 58.73 60.65 2vko h TYR 43 Cb 0.07 -0.13 -0.00 0.00 1.00 0.00 0.00 36.73 37.66 2vko h TYR 43 CO -0.12 0.49 -0.38 0.93 -0.00 0.00 0.00 178.16 179.09 2vko h GLU 44 N 0.43 0.88 -0.80 4.88 5.08 -0.57 -0.42 114.58 124.06 2vko h GLU 44 Ca 0.09 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2vko h GLU 44 Cb 0.34 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2vko h GLU 44 CO 0.01 1.12 0.52 -0.07 -1.00 0.00 0.00 179.01 179.60 2vko h LEU 45 N 0.68 0.90 -0.57 1.33 3.38 -0.48 0.51 115.31 121.06 2vko h LEU 45 Ca 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2vko h LEU 45 Cb 0.97 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2vko h LEU 45 CO 0.09 0.65 0.20 0.22 0.09 0.00 0.00 178.44 179.68 2vko h TYR 46 N 1.06 0.90 -0.04 1.13 5.03 -0.97 0.87 116.97 124.95 2vko h TYR 46 Ca 0.30 -0.08 -0.09 0.00 2.58 0.00 0.00 58.73 61.44 2vko h TYR 46 Cb -0.10 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 37.92 2vko h TYR 46 CO -0.02 0.75 -0.31 0.82 -1.32 0.00 0.00 178.16 178.08 2vko h ILE 47 N 0.80 1.46 0.00 1.81 2.04 -0.81 -3.40 117.51 119.41 2vko h ILE 47 Ca 0.19 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.25 2vko h ILE 47 Cb 0.26 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2vko h ILE 47 CO -0.01 0.51 -1.11 0.49 0.00 0.00 0.00 178.15 178.02 2vko n PHE 48 N -4.45 0.00 -3.13 1.37 3.01 0.18 -4.99 117.46 109.45 2vko n PHE 48 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2vko n PHE 48 Cb 0.51 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 2vko n PHE 48 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2vko n SER 49 N -1.62 1.72 -4.92 4.37 2.88 0.30 -5.02 113.62 111.32 2vko n SER 49 Ca 0.01 -0.13 -0.26 0.00 -1.33 0.00 0.00 58.87 57.17 2vko n SER 49 Cb 0.33 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.81 2vko n SER 49 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2vko s ASP 50 N 0.75 5.70 0.21 -3.46 1.01 -1.25 -4.71 116.67 114.92 2vko s ASP 50 Ca 0.00 0.63 -0.09 0.00 0.71 0.00 0.00 52.55 53.80 2vko s ASP 50 Cb 0.00 -1.71 0.28 0.00 1.01 0.00 0.00 42.92 42.50 2vko s ASP 50 CO 0.00 -0.94 1.76 0.22 0.21 0.00 0.00 175.17 176.42 2vko h TYR 51 N -0.01 0.48 -0.37 4.23 5.03 -1.88 -2.28 116.97 122.16 2vko h TYR 51 Ca -0.46 0.03 0.06 0.00 2.58 0.00 0.00 58.73 60.94 2vko h TYR 51 Cb 1.25 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 39.36 2vko h TYR 51 CO 0.48 0.16 0.08 0.93 -1.32 0.00 0.00 178.16 178.48 2vko h GLU 52 N 0.48 0.20 0.06 1.82 5.08 -1.97 0.36 114.58 120.61 2vko h GLU 52 Ca 0.31 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2vko h GLU 52 Cb 0.34 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2vko h GLU 52 CO -0.27 0.13 -0.06 -0.91 -1.00 0.00 0.00 179.01 176.90 2vko h ASN 53 N 0.21 -0.17 -0.02 1.42 4.21 -1.91 -0.67 115.58 118.65 2vko h ASN 53 Ca 0.18 0.02 0.04 0.00 1.21 0.00 0.00 56.30 57.74 2vko h ASN 53 Cb 0.20 0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.41 2vko h ASN 53 CO -0.23 -0.10 -0.31 0.15 -1.29 0.00 0.00 177.43 175.65 2vko h PHE 54 N -0.14 -0.86 -0.54 1.19 3.57 -0.85 -0.26 116.94 119.05 2vko h PHE 54 Ca 0.01 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.63 2vko h PHE 54 Cb 0.14 0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 2vko h PHE 54 CO -0.11 -0.40 0.13 1.49 -2.23 0.00 0.00 178.31 177.20 2vko h GLU 55 N -0.45 0.27 -0.38 1.11 4.81 -0.24 -1.29 114.58 118.41 2vko h GLU 55 Ca 0.07 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2vko h GLU 55 Cb 0.55 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2vko h GLU 55 CO -0.28 0.18 0.25 -0.91 -0.73 0.00 0.00 179.01 177.52 2vko h ASN 56 N 0.28 0.42 -0.30 1.04 2.35 -0.63 0.27 115.58 119.01 2vko h ASN 56 Ca 0.27 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2vko h ASN 56 Cb 0.37 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2vko h ASN 56 CO -0.34 0.31 0.19 0.22 -1.65 0.00 0.00 177.43 176.16 2vko h TYR 57 N 0.50 0.38 -0.42 1.19 3.20 -0.74 0.26 116.97 121.35 2vko h TYR 57 Ca 0.14 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2vko h TYR 57 Cb -0.05 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2vko h TYR 57 CO -0.05 0.26 0.17 0.28 -1.64 0.00 0.00 178.16 177.18 2vko h VAL 58 N 0.39 1.20 0.47 1.81 2.07 -0.95 -0.66 116.25 120.57 2vko h VAL 58 Ca 0.11 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2vko h VAL 58 Cb -0.02 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2vko h VAL 58 CO -0.02 0.22 -0.35 0.11 0.02 0.00 0.00 177.57 177.55 2vko h LYS 59 N 0.53 -0.78 0.00 1.57 6.56 -0.79 0.17 116.57 123.83 2vko h LYS 59 Ca 0.14 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 2vko h LYS 59 Cb 0.19 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 2vko h LYS 59 CO -0.01 -0.52 0.00 1.57 -2.06 0.00 0.00 179.45 178.43 2vko h LYS 60 N -0.81 0.00 0.00 3.15 2.10 -0.77 -2.69 116.57 117.55 2vko h LYS 60 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2vko h LYS 60 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2vko h LYS 60 CO 0.01 0.00 -1.36 0.39 -2.00 0.00 0.00 179.45 176.49 2vko n GLU 61 N -2.98 0.24 -2.99 0.07 -0.58 -0.27 -5.00 120.64 109.13 2vko n GLU 61 Ca 0.00 -0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.56 2vko n GLU 61 Cb 0.28 -1.51 0.04 0.00 -0.57 0.00 0.00 31.44 29.67 2vko n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vko n GLY 62 N 1.41 0.22 3.78 0.62 0.00 0.54 -5.00 105.19 106.76 2vko n GLY 62 Ca 0.01 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2vko n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vko s LEU 63 N -3.99 4.47 -0.43 0.99 1.43 -0.84 -5.04 118.68 115.28 2vko s LEU 63 Ca 0.27 1.73 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 2vko s LEU 63 Cb -0.12 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.48 2vko s LEU 63 CO 0.33 0.07 0.33 -0.75 0.23 0.00 0.00 176.35 176.56 2vko s LYS 64 N -1.62 2.97 -0.24 1.70 2.36 -1.26 -4.92 119.74 118.73 2vko s LYS 64 Ca 0.43 -1.12 -0.10 0.00 -2.55 0.00 0.00 55.97 52.63 2vko s LYS 64 Cb -0.21 -4.02 -0.05 0.00 -1.05 0.00 0.00 37.83 32.51 2vko s LYS 64 CO 0.26 -0.83 0.14 0.42 1.55 0.00 0.00 175.35 176.88 2vko s ILE 65 N 1.66 5.12 -0.13 5.43 -1.09 -1.26 -5.05 121.20 125.88 2vko s ILE 65 Ca 0.05 0.10 -0.36 0.00 -2.23 0.00 0.00 60.65 58.20 2vko s ILE 65 Cb -0.21 -3.39 -0.13 0.00 -1.58 0.00 0.00 42.46 37.16 2vko s ILE 65 CO 0.09 0.34 1.81 1.21 -1.23 0.00 0.00 174.94 177.17 2vko n GLU 66 N 4.42 1.83 -0.74 2.79 2.13 -1.26 -1.45 120.64 128.36 2vko n GLU 66 Ca -0.15 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2vko n GLU 66 Cb 0.52 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.77 2vko n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vko n GLY 67 N 4.26 0.63 0.37 8.31 0.00 -1.26 -4.94 105.19 112.56 2vko n GLY 67 Ca 0.23 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.37 2vko n GLY 67 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2vko h MET 68 N 1.74 0.68 -0.69 1.61 4.05 -1.68 -1.59 114.93 119.06 2vko h MET 68 Ca 0.00 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 2vko h MET 68 Cb 0.00 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 2vko h MET 68 CO 0.00 0.45 0.27 1.49 0.23 0.00 0.00 176.91 179.35 2vko h GLU 69 N 0.71 1.03 -0.52 0.39 4.57 -1.92 -0.30 114.58 118.54 2vko h GLU 69 Ca 0.52 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 2vko h GLU 69 Cb 0.87 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 2vko h GLU 69 CO -0.28 0.86 0.24 1.25 -1.18 0.00 0.00 179.01 179.90 2vko h LEU 70 N 0.98 0.68 -0.83 1.64 5.85 -1.72 -0.83 115.31 121.08 2vko h LEU 70 Ca 0.23 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2vko h LEU 70 Cb 0.22 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2vko h LEU 70 CO -0.02 0.63 0.15 -0.07 -0.34 0.00 0.00 178.44 178.79 2vko h LEU 71 N 0.69 0.96 -0.54 2.25 3.38 -1.11 0.18 115.31 121.12 2vko h LEU 71 Ca 0.18 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2vko h LEU 71 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2vko h LEU 71 CO -0.02 0.93 0.19 0.11 0.09 0.00 0.00 178.44 179.74 2vko h LYS 72 N 0.97 0.83 -0.49 1.13 1.57 -0.89 -0.67 116.57 119.02 2vko h LYS 72 Ca 0.20 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2vko h LYS 72 Cb 0.36 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2vko h LYS 72 CO 0.00 0.74 0.28 1.49 -0.57 0.00 0.00 179.45 181.39 2vko h GLU 73 N 0.74 0.67 -0.37 3.15 4.81 -0.59 0.83 114.58 123.82 2vko h GLU 73 Ca 0.18 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2vko h GLU 73 Cb 0.24 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2vko h GLU 73 CO -0.01 0.51 0.21 0.87 -0.73 0.00 0.00 179.01 179.86 2vko h LYS 74 N 0.64 0.42 -0.73 1.92 1.57 -0.84 -0.12 116.57 119.43 2vko h LYS 74 Ca 0.17 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2vko h LYS 74 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2vko h LYS 74 CO -0.03 0.28 0.21 -0.22 -0.57 0.00 0.00 179.45 179.12 2vko h LYS 75 N 0.43 1.15 -0.54 3.15 1.63 -0.75 -0.67 116.57 120.97 2vko h LYS 75 Ca 0.15 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 2vko h LYS 75 Cb 0.01 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 2vko h LYS 75 CO -0.07 0.99 0.13 0.00 -3.45 0.00 0.00 179.45 177.05 2vko h ALA 76 N 1.11 1.20 -0.62 5.00 0.00 -0.52 -0.28 119.26 125.16 2vko h ALA 76 Ca 0.23 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2vko h ALA 76 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2vko h ALA 76 CO -0.00 0.55 0.04 -0.09 0.00 0.00 0.00 179.25 179.74 2vko h ARG 77 N 0.80 1.07 -0.46 0.00 2.43 -0.39 -0.82 114.38 117.01 2vko h ARG 77 Ca 0.18 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2vko h ARG 77 Cb 0.30 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2vko h ARG 77 CO -0.00 1.02 0.25 1.03 -1.51 0.00 0.00 179.97 180.76 2vko h SER 78 N 0.98 0.58 -0.81 -3.80 0.87 -0.58 -0.71 113.55 110.09 2vko h SER 78 Ca 0.18 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2vko h SER 78 Cb 0.51 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2vko h SER 78 CO 0.02 0.50 0.53 -0.07 -0.53 0.00 0.00 176.83 177.29 2vko h LEU 79 N 0.61 0.91 -0.11 2.23 3.38 -0.60 -0.73 115.31 120.99 2vko h LEU 79 Ca 0.16 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2vko h LEU 79 Cb 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2vko h LEU 79 CO -0.03 0.65 0.04 0.40 0.09 0.00 0.00 178.44 179.59 2vko h ILE 80 N 1.07 1.17 -0.60 1.22 2.04 -0.61 0.18 117.51 121.97 2vko h ILE 80 Ca 0.30 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.75 2vko h ILE 80 Cb -0.08 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2vko h ILE 80 CO -0.07 0.15 0.21 0.00 0.00 0.00 0.00 178.15 178.44 2vko h ALA 81 N 0.86 0.77 -0.62 1.87 0.00 -0.40 0.89 119.26 122.63 2vko h ALA 81 Ca 0.04 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2vko h ALA 81 Cb 0.20 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2vko h ALA 81 CO -0.00 -0.21 0.04 0.93 0.00 0.00 0.00 179.25 180.01 2vko h GLU 82 N 0.39 1.06 -0.65 0.00 4.39 -0.93 -1.83 114.58 117.00 2vko h GLU 82 Ca 0.31 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2vko h GLU 82 Cb 0.39 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2vko h GLU 82 CO -0.32 1.01 0.26 0.78 -1.16 0.00 0.00 179.01 179.59 2vko h GLY 83 N 0.96 1.02 0.97 -3.84 0.00 0.02 -1.41 103.07 100.80 2vko h GLY 83 Ca 0.18 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2vko h GLY 83 CO 0.02 0.50 0.18 0.50 0.00 0.00 0.00 176.54 177.74 2vko h LYS 84 N 0.94 0.35 -0.20 4.80 1.57 -0.52 0.42 116.57 123.93 2vko h LYS 84 Ca 0.22 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2vko h LYS 84 Cb 0.18 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 2vko h LYS 84 CO -0.02 0.23 -0.41 -0.44 -0.57 0.00 0.00 179.45 178.24 2vko h ASP 85 N 0.37 -1.31 -0.58 0.86 3.45 -1.00 0.71 116.42 118.90 2vko h ASP 85 Ca 0.11 0.18 0.06 0.00 0.43 0.00 0.00 57.03 57.81 2vko h ASP 85 Cb -0.03 0.55 -0.05 0.00 -0.56 0.00 0.00 39.33 39.24 2vko h ASP 85 CO -0.03 -0.41 0.29 -0.07 -1.57 0.00 0.00 179.24 177.45 2vko h LEU 86 N -0.44 0.40 -0.62 1.55 3.38 -1.08 -1.62 115.31 116.88 2vko h LEU 86 Ca 0.09 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2vko h LEU 86 Cb 0.61 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2vko h LEU 86 CO -0.44 0.26 0.30 0.15 0.09 0.00 0.00 178.44 178.81 2vko h PHE 87 N 0.54 0.54 0.00 1.13 3.57 -0.64 0.93 116.94 123.01 2vko h PHE 87 Ca 0.27 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2vko h PHE 87 Cb 0.20 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2vko h PHE 87 CO -0.11 0.22 -0.08 0.93 -2.23 0.00 0.00 178.31 177.04 2vko h GLU 88 N 0.54 0.00 -0.61 1.11 5.08 0.08 -1.79 114.58 118.99 2vko h GLU 88 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2vko h GLU 88 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2vko h GLU 88 CO -0.23 0.08 0.00 0.25 -1.00 0.00 0.00 179.01 178.11 2vko n THR 89 N -3.43 1.76 -3.11 1.13 -2.24 -0.87 -4.96 114.28 102.58 2vko n THR 89 Ca -0.01 -1.22 -0.21 0.00 -2.27 0.00 0.00 64.05 60.34 2vko n THR 89 Cb 0.23 0.15 0.04 0.00 -2.10 0.00 0.00 70.33 68.65 2vko n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vko n ALA 90 N 1.00 -0.97 -3.29 6.98 0.00 -0.67 -4.96 120.51 118.60 2vko n ALA 90 Ca 0.24 0.30 -0.39 0.00 0.00 0.00 0.00 53.44 53.59 2vko n ALA 90 Cb 0.84 -4.02 -0.03 0.00 0.00 0.00 0.00 19.45 16.25 2vko n ALA 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vko n ASN 91 N -2.24 5.27 0.15 0.00 4.13 0.27 -4.90 115.26 117.94 2vko n ASN 91 Ca -0.07 -3.29 0.01 0.00 1.68 0.00 0.00 54.58 52.91 2vko n ASN 91 Cb 0.59 -1.13 0.22 0.00 -1.54 0.00 0.00 39.78 37.92 2vko n ASN 91 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 2vko h TYR 92 N 5.55 0.00 -0.17 3.10 0.05 -1.89 0.16 116.97 123.77 2vko h TYR 92 Ca 0.19 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.93 2vko h TYR 92 Cb 0.71 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 2vko h TYR 92 CO 0.84 0.55 -0.05 0.78 -1.05 0.00 0.00 178.16 179.23 2vko h GLY 93 N 1.93 0.37 1.01 3.88 0.00 -1.94 -0.96 103.07 107.36 2vko h GLY 93 Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 2vko h GLY 93 CO 0.07 0.28 0.17 -2.09 0.00 0.00 0.00 176.54 174.97 2vko h GLU 94 N 0.04 0.93 -0.42 4.80 4.57 -1.93 -2.01 114.58 120.57 2vko h GLU 94 Ca 0.04 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2vko h GLU 94 Cb 0.49 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2vko h GLU 94 CO 0.02 0.85 0.26 0.00 -1.18 0.00 0.00 179.01 178.96 2vko h ALA 95 N 1.05 0.53 -0.76 2.92 0.00 -0.96 -1.66 119.26 120.36 2vko h ALA 95 Ca 0.19 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.20 2vko h ALA 95 Cb 0.32 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2vko h ALA 95 CO -0.00 -0.04 0.37 1.25 0.00 0.00 0.00 179.25 180.83 2vko h LEU 96 N 0.54 0.45 -0.19 0.00 5.85 -0.84 -0.18 115.31 120.94 2vko h LEU 96 Ca 0.16 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2vko h LEU 96 Cb -0.03 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2vko h LEU 96 CO -0.05 0.23 0.12 0.58 -0.34 0.00 0.00 178.44 178.97 2vko h VAL 97 N 0.59 1.07 -0.29 1.05 2.07 -0.81 -0.50 116.25 119.43 2vko h VAL 97 Ca 0.40 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 2vko h VAL 97 Cb 0.50 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2vko h VAL 97 CO -0.32 0.07 0.16 -0.26 0.02 0.00 0.00 177.57 177.23 2vko h PHE 98 N 0.24 0.39 -0.82 1.57 -1.00 -0.29 -1.55 116.94 115.49 2vko h PHE 98 Ca 0.07 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 2vko h PHE 98 Cb 0.00 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.40 2vko h PHE 98 CO -0.06 0.32 0.38 0.74 -1.61 0.00 0.00 178.31 178.09 2vko h PHE 99 N 0.35 1.20 -0.23 -0.55 0.05 -0.96 -0.27 116.94 116.52 2vko h PHE 99 Ca 0.10 -0.07 0.01 0.00 3.82 0.00 0.00 57.97 61.84 2vko h PHE 99 Cb 0.06 -0.37 -0.02 0.00 2.00 0.00 0.00 35.95 37.62 2vko h PHE 99 CO -0.03 0.87 0.12 0.93 -0.18 0.00 0.00 178.31 180.02 2vko h GLU 100 N 1.17 0.25 -0.61 1.51 5.08 -1.01 0.24 114.58 121.21 2vko h GLU 100 Ca 0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2vko h GLU 100 Cb 0.14 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2vko h GLU 100 CO -0.03 0.16 0.35 0.87 -1.00 0.00 0.00 179.01 179.36 2vko h LYS 101 N 0.26 0.84 -0.48 2.33 1.57 -1.00 -1.72 116.57 118.36 2vko h LYS 101 Ca 0.09 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2vko h LYS 101 Cb 0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2vko h LYS 101 CO -0.06 0.62 0.30 0.00 -0.57 0.00 0.00 179.45 179.75 2vko h ALA 102 N 1.17 0.61 -0.72 3.86 0.00 -0.77 -1.59 119.26 121.82 2vko h ALA 102 Ca 0.22 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2vko h ALA 102 Cb 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 2vko h ALA 102 CO -0.04 0.02 0.36 1.25 0.00 0.00 0.00 179.25 180.84 2vko h LEU 103 N 0.62 0.45 0.00 0.00 6.46 -0.32 -3.13 115.31 119.38 2vko h LEU 103 Ca 0.18 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 2vko h LEU 103 Cb -0.03 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2vko h LEU 103 CO -0.06 0.25 -0.62 0.78 -0.62 0.00 0.00 178.44 178.17 2vko h ASN 104 N 0.59 0.00 0.59 1.25 2.35 -0.96 -3.37 115.58 116.04 2vko h ASN 104 Ca 0.36 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.89 2vko h ASN 104 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2vko h ASN 104 CO -0.28 0.09 -0.99 0.25 -1.65 0.00 0.00 177.43 174.85 2vko h LEU 105 N 0.00 0.32 -9.32 1.61 5.85 -1.24 -3.46 115.31 109.07 2vko h LEU 105 Ca -0.01 -0.29 -0.60 0.00 0.84 0.00 0.00 57.88 57.82 2vko h LEU 105 Cb 1.08 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.88 2vko h LEU 105 CO 0.01 1.13 -0.72 -0.55 -0.34 0.00 0.00 178.44 177.97 2vko s SER 106 N -6.99 3.96 0.00 1.25 0.15 -1.25 -4.86 113.70 105.97 2vko s SER 106 Ca -0.03 -0.84 0.22 0.00 0.70 0.00 0.00 55.95 55.99 2vko s SER 106 Cb 0.09 -0.52 0.50 0.00 -1.71 0.00 0.00 66.02 64.39 2vko s SER 106 CO 0.85 0.04 1.44 -0.67 1.20 0.00 0.00 173.24 176.09 2vko n ASP 107 N -0.55 3.61 -4.67 5.45 2.03 -1.26 -4.89 116.55 116.26 2vko n ASP 107 Ca -0.07 -1.98 -0.43 0.00 0.52 0.00 0.00 54.79 52.83 2vko n ASP 107 Cb 0.59 -0.35 -0.02 0.00 -0.72 0.00 0.00 41.12 40.62 2vko n ASP 107 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2vko s ASN 108 N -1.22 6.92 0.25 1.67 3.84 -1.26 -4.92 114.94 120.22 2vko s ASN 108 Ca 0.41 1.84 -0.05 0.00 0.21 0.00 0.00 52.86 55.28 2vko s ASN 108 Cb 0.23 -2.54 0.30 0.00 -0.55 0.00 0.00 41.25 38.68 2vko s ASN 108 CO 0.31 -0.74 1.85 -0.33 -2.79 0.00 0.00 177.10 175.40 2vko h GLU 109 N 8.17 1.09 -0.11 0.43 5.08 -1.99 -0.65 114.58 126.60 2vko h GLU 109 Ca -0.31 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2vko h GLU 109 Cb 1.13 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2vko h GLU 109 CO 0.94 0.85 0.06 1.49 -1.00 0.00 0.00 179.01 181.35 2vko h GLU 110 N 1.09 0.15 -0.35 2.33 4.81 -1.99 -0.17 114.58 120.44 2vko h GLU 110 Ca 0.26 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 2vko h GLU 110 Cb 0.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2vko h GLU 110 CO -0.03 0.17 0.20 0.82 -0.73 0.00 0.00 179.01 179.44 2vko h ILE 111 N 0.10 1.03 -0.52 2.32 1.08 -1.87 -0.59 117.51 119.06 2vko h ILE 111 Ca 0.04 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2vko h ILE 111 Cb 0.06 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 2vko h ILE 111 CO -0.01 0.07 0.33 0.11 -0.69 0.00 0.00 178.15 177.97 2vko h LYS 112 N 0.41 0.65 -0.52 2.37 1.57 -1.01 0.85 116.57 120.89 2vko h LYS 112 Ca 0.14 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2vko h LYS 112 Cb 0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2vko h LYS 112 CO -0.07 0.43 0.01 0.87 -0.57 0.00 0.00 179.45 180.12 2vko h LYS 113 N 0.67 0.90 -0.29 3.15 1.79 -0.68 -0.73 116.57 121.37 2vko h LYS 113 Ca 0.20 -0.28 -0.15 0.00 -2.18 0.00 0.00 60.65 58.24 2vko h LYS 113 Cb -0.04 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2vko h LYS 113 CO -0.06 0.92 -0.39 0.82 -1.08 0.00 0.00 179.45 179.66 2vko h ILE 114 N 0.77 1.29 -0.31 1.86 2.04 -1.05 -0.80 117.51 121.32 2vko h ILE 114 Ca 0.15 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.49 2vko h ILE 114 Cb 0.51 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 2vko h ILE 114 CO 0.02 0.51 -0.00 0.00 0.00 0.00 0.00 178.15 178.68 2vko h ALA 115 N 0.69 0.28 -0.60 1.87 0.00 -0.76 -1.89 119.26 118.84 2vko h ALA 115 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vko h ALA 115 Cb 0.98 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2vko h ALA 115 CO 0.09 -0.41 0.38 0.77 0.00 0.00 0.00 179.25 180.08 2vko h SER 116 N 0.09 0.71 -0.23 0.00 0.02 -1.06 -0.06 113.55 113.03 2vko h SER 116 Ca 0.15 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2vko h SER 116 Cb 0.20 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2vko h SER 116 CO -0.25 0.54 -0.10 0.15 -1.14 0.00 0.00 176.83 176.03 2vko h PHE 117 N 0.82 -0.25 0.00 3.45 3.57 -0.84 -1.21 116.94 122.48 2vko h PHE 117 Ca 0.22 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 2vko h PHE 117 Cb -0.05 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2vko h PHE 117 CO -0.02 -0.16 -0.53 1.88 -2.23 0.00 0.00 178.31 177.25 2vko h TYR 118 N -0.07 0.00 -0.63 0.41 0.99 -1.11 -1.69 116.97 114.87 2vko h TYR 118 Ca 0.12 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 2vko h TYR 118 Cb 0.25 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 37.96 2vko h TYR 118 CO -0.28 0.53 0.11 -0.07 -0.00 0.00 0.00 178.16 178.46 2vko h LEU 119 N 0.00 1.00 -0.77 3.88 3.38 -0.69 -0.97 115.31 121.14 2vko h LEU 119 Ca -0.01 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 2vko h LEU 119 Cb 0.98 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2vko h LEU 119 CO 0.07 1.00 -0.60 -0.33 0.09 0.00 0.00 178.44 178.67 2vko h GLU 120 N 0.96 0.05 0.00 1.13 4.39 -0.97 -1.46 114.58 118.68 2vko h GLU 120 Ca 0.19 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.73 2vko h GLU 120 Cb 0.42 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2vko h GLU 120 CO 0.01 0.64 -0.62 1.05 -1.16 0.00 0.00 179.01 178.93 2vko h GLU 121 N 0.04 0.00 -0.44 2.33 4.11 -1.07 -1.13 114.58 118.42 2vko h GLU 121 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2vko h GLU 121 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2vko h GLU 121 CO 0.08 0.62 0.23 0.00 0.07 0.00 0.00 179.01 180.01 2vko h ARG 123 N 0.57 0.49 0.19 0.00 3.08 -1.11 0.11 114.38 117.71 2vko h ARG 123 Ca 0.15 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2vko h ARG 123 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2vko h ARG 123 CO -0.02 0.53 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.06 2vko h LYS 124 N 0.47 -0.31 0.00 0.04 3.64 -0.99 -1.76 116.57 117.67 2vko h LYS 124 Ca 0.10 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2vko h LYS 124 Cb 0.33 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2vko h LYS 124 CO 0.01 -0.21 -0.35 0.87 -2.27 0.00 0.00 179.45 177.51 2vko h LYS 125 N -0.32 0.00 -0.00 1.90 1.57 -0.97 -2.85 116.57 115.89 2vko h LYS 125 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2vko h LYS 125 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2vko h LYS 125 CO 0.00 0.35 -0.05 1.28 -0.57 0.00 0.00 179.45 180.47 2vko n LEU 126 N -3.40 0.23 -0.93 2.94 4.77 0.35 -4.33 117.00 116.63 2vko n LEU 126 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2vko n LEU 126 Cb 0.54 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2vko n LEU 126 CO 0.36 0.04 0.39 0.00 -1.33 0.00 0.00 177.39 176.86 2vko n ALA 127 N -1.08 2.34 -0.56 -1.18 0.00 -0.67 -5.04 120.51 114.32 2vko n ALA 127 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2vko n ALA 127 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2vko n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91