#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vko h ASN 28 N 0.00 0.34 -0.07 7.83 2.35 -2.04 -2.02 115.58 121.96 2vko h ASN 28 Ca 0.00 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2vko h ASN 28 Cb 0.00 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2vko h ASN 28 CO 0.00 0.24 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.90 2vko h LEU 29 N 0.40 -0.14 -0.50 1.61 4.07 -2.05 0.16 115.31 118.84 2vko h LEU 29 Ca 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 2vko h LEU 29 Cb 0.11 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 2vko h LEU 29 CO -0.03 -0.06 0.24 0.00 -1.08 0.00 0.00 178.44 177.50 2vko h ALA 30 N 1.02 0.65 -0.54 1.53 0.00 -1.90 0.16 119.26 120.18 2vko h ALA 30 Ca 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2vko h ALA 30 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2vko h ALA 30 CO -0.10 0.21 0.34 0.28 0.00 0.00 0.00 179.25 179.98 2vko h VAL 31 N 0.67 1.10 -0.12 0.00 2.07 -1.37 -2.53 116.25 116.07 2vko h VAL 31 Ca 0.17 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2vko h VAL 31 Cb 0.12 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2vko h VAL 31 CO -0.02 0.13 -0.08 0.11 0.02 0.00 0.00 177.57 177.72 2vko h LYS 32 N 0.69 -0.08 -0.40 1.57 1.57 0.00 -1.71 116.57 118.21 2vko h LYS 32 Ca 0.21 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 2vko h LYS 32 Cb -0.04 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 2vko h LYS 32 CO -0.07 -0.06 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.60 2vko h LEU 33 N -0.09 -0.34 -0.28 2.94 3.38 -0.64 -0.82 115.31 119.45 2vko h LEU 33 Ca 0.08 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2vko h LEU 33 Cb 0.20 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2vko h LEU 33 CO -0.18 -0.12 0.15 0.74 0.09 0.00 0.00 178.44 179.12 2vko h THR 34 N 0.01 1.13 -0.85 0.22 2.02 -1.17 0.97 112.91 115.25 2vko h THR 34 Ca 0.19 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.07 2vko h THR 34 Cb 0.29 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 2vko h THR 34 CO -0.40 0.13 0.55 -0.09 0.37 0.00 0.00 175.52 176.08 2vko h ARG 35 N 0.34 0.98 -0.19 6.66 2.43 -1.03 -0.81 114.38 122.76 2vko h ARG 35 Ca 0.10 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 2vko h ARG 35 Cb 0.07 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2vko h ARG 35 CO -0.02 0.65 -0.40 0.52 -1.51 0.00 0.00 179.97 179.21 2vko h MET 36 N 1.01 0.61 -0.43 0.20 2.86 -0.61 -1.79 114.93 116.78 2vko h MET 36 Ca 0.35 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2vko h MET 36 Cb 0.10 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2vko h MET 36 CO -0.11 1.02 0.22 0.93 1.06 0.00 0.00 176.91 180.03 2vko h GLU 37 N 0.29 0.61 -0.64 1.72 5.08 -0.22 0.33 114.58 121.75 2vko h GLU 37 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2vko h GLU 37 Cb 1.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2vko h GLU 37 CO 0.09 0.51 0.31 0.87 -1.00 0.00 0.00 179.01 179.78 2vko h LYS 38 N 0.56 0.92 -0.74 2.33 1.57 -1.25 -1.56 116.57 118.39 2vko h LYS 38 Ca 0.15 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2vko h LYS 38 Cb 0.09 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2vko h LYS 38 CO -0.02 0.74 0.24 1.15 -0.57 0.00 0.00 179.45 180.98 2vko h THR 39 N 0.88 1.26 -0.96 -0.16 2.02 -0.63 -1.21 112.91 114.11 2vko h THR 39 Ca 0.22 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.52 2vko h THR 39 Cb 0.12 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 2vko h THR 39 CO -0.03 0.36 0.63 0.25 0.37 0.00 0.00 175.52 177.10 2vko h LEU 40 N 1.10 1.08 -0.52 2.58 7.12 -0.22 0.08 115.31 126.54 2vko h LEU 40 Ca 0.24 -0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.15 2vko h LEU 40 Cb 0.30 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 2vko h LEU 40 CO -0.01 0.76 -0.00 0.50 -0.13 0.00 0.00 178.44 179.56 2vko h LYS 41 N 1.27 0.91 -0.22 1.25 3.11 -0.73 -1.66 116.57 120.50 2vko h LYS 41 Ca 0.37 -0.29 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 2vko h LYS 41 Cb -0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.05 2vko h LYS 41 CO -0.10 0.94 0.07 0.00 -2.81 0.00 0.00 179.45 177.55 2vko h ALA 42 N 0.94 0.29 -0.94 5.00 0.00 -0.68 -1.32 119.26 122.55 2vko h ALA 42 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2vko h ALA 42 Cb 0.53 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2vko h ALA 42 CO 0.03 -0.08 0.61 1.88 0.00 0.00 0.00 179.25 181.68 2vko h TYR 43 N 0.18 1.20 -0.39 0.00 0.99 -0.91 -0.30 116.97 117.75 2vko h TYR 43 Ca 0.07 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.73 2vko h TYR 43 Cb 0.24 -0.40 -0.02 0.00 1.00 0.00 0.00 36.73 37.55 2vko h TYR 43 CO 0.00 0.77 -0.15 0.93 -0.00 0.00 0.00 178.16 179.71 2vko h GLU 44 N 1.28 0.71 -0.54 4.88 5.08 -1.08 -0.83 114.58 124.09 2vko h GLU 44 Ca 0.34 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2vko h GLU 44 Cb -0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2vko h GLU 44 CO -0.07 0.82 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.68 2vko h LEU 45 N 0.64 0.93 -0.50 1.33 3.38 -0.79 -0.24 115.31 120.05 2vko h LEU 45 Ca 0.10 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2vko h LEU 45 Cb 0.61 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2vko h LEU 45 CO 0.04 1.01 0.20 0.22 0.09 0.00 0.00 178.44 180.00 2vko h TYR 46 N 0.82 0.77 0.03 1.13 5.03 -0.65 0.92 116.97 125.02 2vko h TYR 46 Ca 0.15 -0.06 -0.13 0.00 2.58 0.00 0.00 58.73 61.28 2vko h TYR 46 Cb 0.54 -0.23 0.01 0.00 1.55 0.00 0.00 36.73 38.60 2vko h TYR 46 CO 0.04 0.64 -0.51 0.82 -1.32 0.00 0.00 178.16 177.83 2vko h ILE 47 N 0.67 1.51 0.00 1.81 2.04 -1.10 -3.40 117.51 119.04 2vko h ILE 47 Ca 0.17 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.86 2vko h ILE 47 Cb 0.20 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2vko h ILE 47 CO -0.01 0.61 -1.45 0.49 0.00 0.00 0.00 178.15 177.79 2vko n PHE 48 N -4.31 0.00 -3.42 1.37 3.01 -0.11 -4.99 117.46 109.01 2vko n PHE 48 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2vko n PHE 48 Cb 0.65 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 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 -1.85 1.74 -4.82 4.37 2.88 0.31 -5.04 113.62 111.22 2vko n SER 49 Ca -0.00 -0.55 -0.34 0.00 -1.33 0.00 0.00 58.87 56.64 2vko n SER 49 Cb 0.41 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.22 7.00 0.26 -3.46 1.01 -1.26 -4.76 116.67 115.24 2vko s ASP 50 Ca 0.00 1.58 -0.07 0.00 0.71 0.00 0.00 52.55 54.77 2vko s ASP 50 Cb 0.00 -2.49 0.46 0.00 1.01 0.00 0.00 42.92 41.90 2vko s ASP 50 CO 0.00 -0.20 1.60 0.22 0.21 0.00 0.00 175.17 176.99 2vko h TYR 51 N 2.48 -0.26 -0.12 4.23 5.03 -1.87 -1.66 116.97 124.80 2vko h TYR 51 Ca -0.48 0.07 -0.02 0.00 2.58 0.00 0.00 58.73 60.88 2vko h TYR 51 Cb 1.18 0.25 -0.01 0.00 1.55 0.00 0.00 36.73 39.70 2vko h TYR 51 CO 0.62 -0.34 -0.03 1.05 -1.32 0.00 0.00 178.16 178.14 2vko h GLU 52 N 0.03 0.17 -0.26 1.82 9.09 -1.97 0.42 114.58 123.88 2vko h GLU 52 Ca 0.45 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.79 2vko h GLU 52 Cb 0.77 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.83 2vko h GLU 52 CO -0.82 0.21 -0.02 -0.91 0.05 0.00 0.00 179.01 177.52 2vko h ASN 53 N 0.17 0.47 0.12 3.06 4.21 -1.69 0.32 115.58 122.24 2vko h ASN 53 Ca 0.04 -0.33 -0.00 0.00 1.21 0.00 0.00 56.30 57.22 2vko h ASN 53 Cb 0.16 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 2vko h ASN 53 CO 0.01 0.69 -0.09 0.15 -1.29 0.00 0.00 177.43 176.89 2vko h PHE 54 N 0.25 -0.24 -0.51 1.19 3.04 -0.99 -1.13 116.94 118.55 2vko h PHE 54 Ca 0.07 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.08 2vko h PHE 54 Cb 0.46 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 39.01 2vko h PHE 54 CO 0.04 -0.15 0.23 1.49 -2.02 0.00 0.00 178.31 177.91 2vko h GLU 55 N -0.22 0.44 -0.27 1.11 4.81 -0.11 -0.25 114.58 120.08 2vko h GLU 55 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2vko h GLU 55 Cb 0.20 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2vko h GLU 55 CO -0.01 0.29 0.18 -0.91 -0.73 0.00 0.00 179.01 177.83 2vko h ASN 56 N 0.45 0.32 -0.04 1.04 2.35 -0.27 -1.03 115.58 118.40 2vko h ASN 56 Ca 0.23 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2vko h ASN 56 Cb 0.18 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 2vko h ASN 56 CO -0.19 0.24 0.02 0.22 -1.65 0.00 0.00 177.43 176.07 2vko h TYR 57 N 0.37 0.04 -0.25 1.19 5.03 -0.82 -0.91 116.97 121.62 2vko h TYR 57 Ca 0.10 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.42 2vko h TYR 57 Cb -0.03 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 2vko h TYR 57 CO -0.06 0.02 0.16 0.28 -1.32 0.00 0.00 178.16 177.25 2vko h VAL 58 N 0.05 1.06 -0.60 1.81 2.07 -0.90 -1.38 116.25 118.35 2vko h VAL 58 Ca 0.02 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2vko h VAL 58 Cb 0.00 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2vko h VAL 58 CO -0.01 0.06 0.37 0.11 0.02 0.00 0.00 177.57 178.11 2vko h LYS 59 N 0.33 0.70 -0.23 1.57 1.57 -1.14 0.23 116.57 119.60 2vko h LYS 59 Ca 0.09 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2vko h LYS 59 Cb -0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2vko h LYS 59 CO -0.02 0.46 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.72 2vko h LYS 60 N 0.72 0.51 0.00 3.15 1.63 -0.88 -2.87 116.57 118.82 2vko h LYS 60 Ca 0.24 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2vko h LYS 60 Cb 0.01 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2vko h LYS 60 CO -0.10 0.81 -0.72 0.93 -3.45 0.00 0.00 179.45 176.92 2vko h GLU 61 N 0.43 0.00 -3.94 1.90 4.39 -1.09 -3.48 114.58 112.78 2vko h GLU 61 Ca 0.04 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.49 2vko h GLU 61 Cb 0.85 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.59 2vko h GLU 61 CO 0.07 0.00 -0.42 0.41 -1.16 0.00 0.00 179.01 177.91 2vko n GLY 62 N 1.25 0.01 3.69 -3.84 0.00 0.73 -4.97 105.19 102.05 2vko n GLY 62 Ca 0.02 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2vko n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vko s LEU 63 N -4.91 4.21 -0.31 0.99 2.96 -0.69 -5.03 118.68 115.90 2vko s LEU 63 Ca 0.35 0.81 -0.24 0.00 -0.22 0.00 0.00 54.13 54.83 2vko s LEU 63 Cb -0.16 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.76 2vko s LEU 63 CO 0.44 -0.13 0.84 -0.75 -1.32 0.00 0.00 176.35 175.43 2vko s LYS 64 N 1.24 3.96 -0.23 1.98 2.20 -1.26 -4.86 119.74 122.78 2vko s LYS 64 Ca 0.27 0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 56.46 2vko s LYS 64 Cb -0.16 -3.74 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 2vko s LYS 64 CO 0.11 -0.73 0.06 0.42 -0.36 0.00 0.00 175.35 174.85 2vko s ILE 65 N 3.08 4.38 0.11 5.43 -1.09 -1.26 -5.07 121.20 126.78 2vko s ILE 65 Ca 0.34 -0.16 -0.31 0.00 -2.23 0.00 0.00 60.65 58.30 2vko s ILE 65 Cb -0.14 -3.02 -0.09 0.00 -1.58 0.00 0.00 42.46 37.63 2vko s ILE 65 CO 0.13 0.38 1.63 -1.61 -1.23 0.00 0.00 174.94 174.24 2vko s GLU 66 N 1.24 4.20 0.00 2.79 0.41 -1.26 -2.25 118.70 123.83 2vko s GLU 66 Ca 0.05 2.35 0.00 0.00 -0.41 0.00 0.00 54.97 56.96 2vko s GLU 66 Cb -0.14 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 2vko s GLU 66 CO 0.03 -0.69 0.00 0.41 -0.49 0.00 0.00 175.26 174.52 2vko n GLY 67 N 3.91 0.48 0.35 -1.39 0.00 -1.26 -4.96 105.19 102.33 2vko n GLY 67 Ca 0.15 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.36 0.72 0.00 1.61 -1.53 -1.89 -1.46 114.93 112.74 2vko h MET 68 Ca 0.00 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.22 2vko h MET 68 Cb 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 30.89 2vko h MET 68 CO 0.00 0.48 0.00 1.05 0.14 0.00 0.00 176.91 178.58 2vko h GLU 69 N 0.74 0.00 0.00 0.39 -0.00 -1.93 -1.97 114.58 111.82 2vko h GLU 69 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.95 2vko h GLU 69 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.69 2vko h GLU 69 CO -0.39 0.00 -0.98 1.28 -0.00 0.00 0.00 179.01 178.92 2vko n LEU 70 N -2.82 0.77 0.12 3.06 4.77 -0.55 -4.61 117.00 117.74 2vko n LEU 70 Ca -0.02 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 2vko n LEU 70 Cb 0.07 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2vko n LEU 70 CO 0.17 -0.14 0.39 -0.07 -1.33 0.00 0.00 177.39 176.42 2vko h LEU 71 N 0.00 0.00 0.26 2.23 3.38 -1.42 -1.88 115.31 117.87 2vko h LEU 71 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2vko h LEU 71 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2vko h LEU 71 CO 0.00 0.68 -0.12 0.50 0.09 0.00 0.00 178.44 179.59 2vko h LYS 72 N 0.00 -0.33 -0.40 1.13 3.64 -1.82 -0.90 116.57 117.89 2vko h LYS 72 Ca -0.01 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2vko h LYS 72 Cb 1.38 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 2vko h LYS 72 CO 0.09 -0.09 -0.15 0.93 -2.27 0.00 0.00 179.45 177.95 2vko h GLU 73 N -0.53 0.74 -0.87 1.90 4.39 -1.85 -1.69 114.58 116.68 2vko h GLU 73 Ca -0.04 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.43 2vko h GLU 73 Cb 0.39 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 2vko h GLU 73 CO 0.06 0.85 0.56 0.87 -1.16 0.00 0.00 179.01 180.19 2vko h LYS 74 N 0.66 1.08 -0.31 2.33 1.57 -1.38 -0.81 116.57 119.71 2vko h LYS 74 Ca 0.11 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2vko h LYS 74 Cb 0.63 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2vko h LYS 74 CO 0.04 0.72 0.09 -0.22 -0.57 0.00 0.00 179.45 179.51 2vko h LYS 75 N 1.12 0.50 -0.63 3.15 1.63 -0.74 -0.43 116.57 121.15 2vko h LYS 75 Ca 0.34 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 60.04 2vko h LYS 75 Cb -0.04 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 2vko h LYS 75 CO -0.10 0.55 0.41 0.00 -3.45 0.00 0.00 179.45 176.86 2vko h ALA 76 N 0.92 0.81 -0.60 5.00 0.00 -1.00 0.66 119.26 125.05 2vko h ALA 76 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2vko h ALA 76 Cb 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2vko h ALA 76 CO -0.00 0.20 0.37 0.00 0.00 0.00 0.00 179.25 179.82 2vko h ARG 77 N 0.82 0.71 -0.13 0.00 3.08 -1.00 -1.31 114.38 116.55 2vko h ARG 77 Ca 0.24 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.14 2vko h ARG 77 Cb -0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2vko h ARG 77 CO -0.07 0.47 -0.39 0.66 -1.07 0.00 0.00 179.97 179.57 2vko h SER 78 N 0.73 0.29 -0.28 7.04 4.64 -0.48 0.52 113.55 126.02 2vko h SER 78 Ca 0.24 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2vko h SER 78 Cb 0.01 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2vko h SER 78 CO -0.09 0.66 0.17 -0.07 -0.87 0.00 0.00 176.83 176.62 2vko h LEU 79 N 0.24 0.33 -0.49 5.97 3.38 -0.40 0.03 115.31 124.36 2vko h LEU 79 Ca 0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2vko h LEU 79 Cb 0.80 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2vko h LEU 79 CO 0.06 0.29 0.15 0.40 0.09 0.00 0.00 178.44 179.43 2vko h ILE 80 N 0.35 1.23 -0.30 1.22 2.04 -0.88 0.14 117.51 121.31 2vko h ILE 80 Ca 0.10 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.23 2vko h ILE 80 Cb 0.01 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2vko h ILE 80 CO -0.02 0.28 0.12 0.00 0.00 0.00 0.00 178.15 178.53 2vko h ALA 81 N 1.01 0.35 -0.20 1.87 0.00 -0.69 0.24 119.26 121.84 2vko h ALA 81 Ca 0.16 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 2vko h ALA 81 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2vko h ALA 81 CO -0.00 -0.28 -0.68 0.93 0.00 0.00 0.00 179.25 179.22 2vko h GLU 82 N 0.26 0.79 -0.78 0.00 5.08 -0.90 -1.81 114.58 117.22 2vko h GLU 82 Ca 0.13 -0.58 0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2vko h GLU 82 Cb 0.08 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 2vko h GLU 82 CO -0.12 1.20 0.43 0.78 -1.00 0.00 0.00 179.01 180.30 2vko h GLY 83 N 0.68 1.20 1.11 -3.84 0.00 -0.49 -1.64 103.07 100.09 2vko h GLY 83 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 2vko h GLY 83 CO 0.14 0.09 0.11 0.50 0.00 0.00 0.00 176.54 177.38 2vko h LYS 84 N 0.71 1.08 -0.74 4.80 1.57 -0.31 0.20 116.57 123.89 2vko h LYS 84 Ca 0.38 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2vko h LYS 84 Cb 0.38 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2vko h LYS 84 CO -0.26 0.99 0.42 -0.44 -0.57 0.00 0.00 179.45 179.60 2vko h ASP 85 N 1.02 0.91 -0.43 0.86 3.32 -0.94 0.17 116.42 121.33 2vko h ASP 85 Ca 0.20 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2vko h ASP 85 Cb 0.44 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2vko h ASP 85 CO 0.01 0.73 0.11 -0.07 -1.72 0.00 0.00 179.24 178.30 2vko h LEU 86 N 1.02 0.65 -0.60 1.55 3.38 -1.03 -2.21 115.31 118.06 2vko h LEU 86 Ca 0.26 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2vko h LEU 86 Cb 0.00 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 2vko h LEU 86 CO -0.05 0.70 0.25 0.15 0.09 0.00 0.00 178.44 179.59 2vko h PHE 87 N 0.56 0.45 0.00 1.13 3.57 -0.33 0.34 116.94 122.67 2vko h PHE 87 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2vko h PHE 87 Cb 0.30 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2vko h PHE 87 CO 0.02 0.15 0.00 0.93 -2.23 0.00 0.00 178.31 177.18 2vko h GLU 88 N 0.46 0.00 -0.68 1.11 4.39 -0.85 -0.80 114.58 118.21 2vko h GLU 88 Ca 0.30 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 2vko h GLU 88 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2vko h GLU 88 CO -0.27 0.00 0.02 0.25 -1.16 0.00 0.00 179.01 177.86 2vko n THR 89 N -2.79 2.28 -3.25 1.13 -2.24 -0.71 -4.94 114.28 103.76 2vko n THR 89 Ca 0.04 -1.16 -0.23 0.00 -2.27 0.00 0.00 64.05 60.42 2vko n THR 89 Cb 0.44 -0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.45 -1.06 -3.44 6.98 0.00 -0.31 -4.93 120.51 118.20 2vko n ALA 90 Ca 0.24 0.23 -0.37 0.00 0.00 0.00 0.00 53.44 53.54 2vko n ALA 90 Cb 1.05 -3.78 -0.04 0.00 0.00 0.00 0.00 19.45 16.68 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 -2.53 4.78 0.04 0.00 3.02 0.03 -4.88 115.26 115.71 2vko n ASN 91 Ca -0.06 -3.21 -0.10 0.00 -0.03 0.00 0.00 54.58 51.17 2vko n ASN 91 Cb 0.58 -1.09 0.03 0.00 -0.61 0.00 0.00 39.78 38.69 2vko n ASN 91 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2vko h TYR 92 N 5.73 0.59 -0.19 3.10 -1.99 -1.87 -0.26 116.97 122.09 2vko h TYR 92 Ca 0.18 -0.25 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 2vko h TYR 92 Cb 0.76 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 2vko h TYR 92 CO 0.78 1.01 0.06 0.78 -0.00 0.00 0.00 178.16 180.78 2vko h GLY 93 N 1.21 0.32 0.93 3.88 0.00 -1.90 -0.69 103.07 106.82 2vko h GLY 93 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2vko h GLY 93 CO 0.12 0.18 0.14 0.83 0.00 0.00 0.00 176.54 177.81 2vko h GLU 94 N 0.13 0.54 -0.89 4.80 5.08 -1.95 -3.13 114.58 119.15 2vko h GLU 94 Ca 0.06 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2vko h GLU 94 Cb 0.23 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2vko h GLU 94 CO -0.00 0.52 0.58 0.00 -1.00 0.00 0.00 179.01 179.11 2vko h ALA 95 N 0.99 1.47 -0.83 3.43 0.00 -0.90 -3.02 119.26 120.39 2vko h ALA 95 Ca 0.12 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.17 2vko h ALA 95 Cb 0.19 -0.30 -0.11 0.00 0.00 0.00 0.00 17.79 17.57 2vko h ALA 95 CO -0.01 0.43 0.34 1.25 0.00 0.00 0.00 179.25 181.26 2vko h LEU 96 N 1.07 0.30 -0.84 0.00 6.46 -1.06 -0.04 115.31 121.20 2vko h LEU 96 Ca 0.36 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 58.29 2vko h LEU 96 Cb 0.08 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 2vko h LEU 96 CO -0.12 0.06 0.53 0.58 -0.62 0.00 0.00 178.44 178.87 2vko h VAL 97 N 0.43 1.10 -0.24 1.05 2.07 -1.68 0.12 116.25 119.10 2vko h VAL 97 Ca 0.49 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 2vko h VAL 97 Cb 0.83 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2vko h VAL 97 CO -0.47 0.19 -0.01 -0.26 0.02 0.00 0.00 177.57 177.04 2vko h PHE 98 N 1.02 0.46 -0.27 1.57 -1.00 -1.16 0.10 116.94 117.66 2vko h PHE 98 Ca 0.35 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 61.02 2vko h PHE 98 Cb 0.06 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 2vko h PHE 98 CO -0.03 0.60 0.08 0.74 -1.61 0.00 0.00 178.31 178.09 2vko h PHE 99 N 0.19 0.44 -0.42 -0.55 0.05 -0.96 -0.72 116.94 114.96 2vko h PHE 99 Ca 0.07 -0.05 0.08 0.00 3.82 0.00 0.00 57.97 61.89 2vko h PHE 99 Cb 0.42 -0.13 -0.08 0.00 2.00 0.00 0.00 35.95 38.17 2vko h PHE 99 CO 0.04 0.48 -0.09 0.93 -0.18 0.00 0.00 178.31 179.49 2vko h GLU 100 N 0.27 0.01 -0.62 1.51 4.39 -0.73 0.13 114.58 119.54 2vko h GLU 100 Ca 0.09 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 2vko h GLU 100 Cb 0.26 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2vko h GLU 100 CO -0.00 0.01 0.18 0.87 -1.16 0.00 0.00 179.01 178.91 2vko h LYS 101 N 0.02 0.95 -0.25 2.33 1.57 -0.43 -2.44 116.57 118.31 2vko h LYS 101 Ca 0.20 -0.19 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 2vko h LYS 101 Cb 0.31 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2vko h LYS 101 CO -0.42 0.82 -0.63 0.00 -0.57 0.00 0.00 179.45 178.65 2vko h ALA 102 N 1.28 0.41 -0.86 3.86 0.00 -0.67 -1.95 119.26 121.34 2vko h ALA 102 Ca 0.20 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2vko h ALA 102 Cb 0.28 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2vko h ALA 102 CO -0.01 0.68 0.45 1.25 0.00 0.00 0.00 179.25 181.63 2vko h LEU 103 N 0.64 1.09 0.00 0.00 6.46 -0.83 -1.01 115.31 121.66 2vko h LEU 103 Ca -0.01 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.57 2vko h LEU 103 Cb 1.25 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 2vko h LEU 103 CO 0.14 0.89 -0.34 0.78 -0.62 0.00 0.00 178.44 179.29 2vko h ASN 104 N 1.21 0.00 0.35 1.25 2.35 -1.41 -3.36 115.58 115.98 2vko h ASN 104 Ca 0.30 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.73 2vko h ASN 104 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2vko h ASN 104 CO -0.04 0.33 -1.67 0.25 -1.65 0.00 0.00 177.43 174.64 2vko h LEU 105 N 0.00 0.40 -9.97 1.61 5.85 -0.86 -3.47 115.31 108.86 2vko h LEU 105 Ca -0.00 -0.64 -0.47 0.00 0.84 0.00 0.00 57.88 57.61 2vko h LEU 105 Cb 1.25 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2vko h LEU 105 CO 0.04 1.54 0.38 -0.55 -0.34 0.00 0.00 178.44 179.51 2vko s SER 106 N -6.97 6.89 0.00 1.25 0.15 -0.43 -4.93 113.70 109.67 2vko s SER 106 Ca -0.12 1.92 0.21 0.00 0.70 0.00 0.00 55.95 58.65 2vko s SER 106 Cb 0.07 -2.57 0.20 0.00 -1.71 0.00 0.00 66.02 62.01 2vko s SER 106 CO 0.84 -0.39 1.18 0.47 1.20 0.00 0.00 173.24 176.54 2vko n ASP 107 N -0.10 2.82 -4.49 5.45 8.00 -1.26 -4.90 116.55 122.07 2vko n ASP 107 Ca 0.05 -1.87 -0.43 0.00 0.71 0.00 0.00 54.79 53.24 2vko n ASP 107 Cb 0.51 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 2vko n ASP 107 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2vko s ASN 108 N -1.65 6.29 0.20 -2.24 2.47 -1.26 -4.96 114.94 113.79 2vko s ASN 108 Ca 0.26 -0.56 -0.10 0.00 0.42 0.00 0.00 52.86 52.88 2vko s ASN 108 Cb 0.18 -2.33 0.28 0.00 -1.45 0.00 0.00 41.25 37.92 2vko s ASN 108 CO 0.26 -0.91 1.21 -1.84 -3.72 0.00 0.00 177.10 172.10 2vko n GLU 109 N 6.46 -0.12 -0.07 0.43 0.28 -1.26 -0.36 120.64 125.99 2vko n GLU 109 Ca -0.03 1.21 -0.12 0.00 -0.16 0.00 0.00 57.16 58.06 2vko n GLU 109 Cb 0.47 -1.80 -0.05 0.00 1.43 0.00 0.00 31.44 31.49 2vko n GLU 109 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2vko h GLU 110 N 0.00 0.38 0.00 3.44 4.57 -1.99 -1.94 114.58 119.03 2vko h GLU 110 Ca 0.33 -0.13 -0.16 0.00 -1.18 0.00 0.00 59.36 58.21 2vko h GLU 110 Cb 0.52 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2vko h GLU 110 CO -0.79 0.59 -0.78 -0.84 -1.18 0.00 0.00 179.01 176.01 2vko h ILE 111 N 0.13 1.56 -0.64 2.32 -0.00 -1.80 -1.34 117.51 117.73 2vko h ILE 111 Ca 0.06 -2.69 0.13 0.00 -0.00 0.00 0.00 64.86 62.36 2vko h ILE 111 Cb 0.43 2.45 -0.10 0.00 -0.00 0.00 0.00 36.82 39.60 2vko h ILE 111 CO 0.01 0.77 0.10 0.11 -0.00 0.00 0.00 178.15 179.14 2vko h LYS 112 N 0.00 0.21 -0.24 0.16 1.57 -0.64 -0.29 116.57 117.34 2vko h LYS 112 Ca -0.01 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2vko h LYS 112 Cb 1.39 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2vko h LYS 112 CO 0.10 0.14 -0.36 0.87 -0.57 0.00 0.00 179.45 179.64 2vko h LYS 113 N 0.22 0.52 0.21 3.15 1.57 -0.54 0.21 116.57 121.92 2vko h LYS 113 Ca 0.34 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2vko h LYS 113 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2vko h LYS 113 CO -0.47 0.81 -0.10 0.82 -0.57 0.00 0.00 179.45 179.94 2vko h ILE 114 N 0.44 0.87 -0.42 1.86 2.04 -1.00 0.17 117.51 121.48 2vko h ILE 114 Ca 0.05 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.51 2vko h ILE 114 Cb 0.83 1.16 -0.09 0.00 -0.74 0.00 0.00 36.82 37.98 2vko h ILE 114 CO 0.07 0.11 -0.19 0.00 0.00 0.00 0.00 178.15 178.14 2vko h ALA 115 N 0.20 0.14 -0.66 1.87 0.00 -0.91 -1.40 119.26 118.50 2vko h ALA 115 Ca -0.03 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2vko h ALA 115 Cb 0.39 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2vko h ALA 115 CO 0.05 -0.54 0.36 1.03 0.00 0.00 0.00 179.25 180.14 2vko h SER 116 N -0.10 0.52 0.14 0.00 0.87 -0.50 0.22 113.55 114.70 2vko h SER 116 Ca 0.20 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 2vko h SER 116 Cb 0.42 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2vko h SER 116 CO -0.49 0.34 -0.43 0.15 -0.53 0.00 0.00 176.83 175.87 2vko h PHE 117 N 0.66 -1.22 -0.59 2.24 3.57 0.04 -0.98 116.94 120.66 2vko h PHE 117 Ca 0.30 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2vko h PHE 117 Cb 0.20 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 2vko h PHE 117 CO -0.08 -0.53 0.32 1.88 -2.23 0.00 0.00 178.31 177.66 2vko h TYR 118 N -0.68 0.81 -0.49 0.41 -1.99 -1.01 -1.90 116.97 112.12 2vko h TYR 118 Ca 0.01 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.78 2vko h TYR 118 Cb 0.70 -0.26 -0.05 0.00 2.00 0.00 0.00 36.73 39.12 2vko h TYR 118 CO -0.37 0.59 0.21 1.25 -0.00 0.00 0.00 178.16 179.83 2vko h LEU 119 N 0.79 0.25 -0.93 3.88 5.85 -0.36 0.29 115.31 125.08 2vko h LEU 119 Ca 0.21 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2vko h LEU 119 Cb 0.05 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2vko h LEU 119 CO -0.03 0.18 0.23 -0.08 -0.34 0.00 0.00 178.44 178.39 2vko h GLU 120 N 0.40 1.01 -0.79 1.25 4.57 -0.85 -1.00 114.58 119.17 2vko h GLU 120 Ca 0.23 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2vko h GLU 120 Cb 0.20 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 2vko h GLU 120 CO -0.21 0.85 0.47 0.93 -1.18 0.00 0.00 179.01 179.87 2vko h GLU 121 N 0.98 1.07 -0.30 1.92 4.39 -0.77 0.53 114.58 122.41 2vko h GLU 121 Ca 0.22 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2vko h GLU 121 Cb 0.25 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2vko h GLU 121 CO -0.01 0.77 0.10 0.00 -1.16 0.00 0.00 179.01 178.70 2vko h ARG 123 N 0.32 1.02 -0.98 0.00 3.08 -0.98 -0.67 114.38 116.17 2vko h ARG 123 Ca 0.10 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2vko h ARG 123 Cb 0.23 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 2vko h ARG 123 CO -0.00 0.68 0.63 0.87 -1.07 0.00 0.00 179.97 181.08 2vko h LYS 124 N 1.05 1.13 -0.40 0.04 1.57 -0.53 0.07 116.57 119.51 2vko h LYS 124 Ca 0.34 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.93 2vko h LYS 124 Cb 0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2vko h LYS 124 CO -0.12 0.75 -0.25 0.87 -0.57 0.00 0.00 179.45 180.13 2vko h LYS 125 N 1.17 0.88 -0.72 3.15 1.79 -0.58 0.43 116.57 122.69 2vko h LYS 125 Ca 0.42 -0.41 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2vko h LYS 125 Cb 0.13 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 2vko h LYS 125 CO -0.16 1.06 0.48 -0.07 -1.08 0.00 0.00 179.45 179.67 2vko h LEU 126 N 0.70 0.80 -0.39 2.94 3.38 -0.71 -2.15 115.31 119.88 2vko h LEU 126 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2vko h LEU 126 Cb 0.83 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2vko h LEU 126 CO 0.07 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.17 2vko n ALA 127 N -2.43 2.62 -2.06 1.53 0.00 -0.03 -4.91 120.51 115.23 2vko n ALA 127 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 53.44 53.23 2vko n ALA 127 Cb 0.06 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.18 2vko n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vko n GLY 128 N 1.02 0.42 0.00 0.00 0.00 -0.81 -5.05 105.19 100.78 2vko n GLY 128 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2vko n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54