#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 0.00 -0.56 7.83 -0.73 -2.05 -3.20 115.58 116.87 2vko h ASN 28 Ca 0.00 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 2vko h ASN 28 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 2vko h ASN 28 CO 0.00 0.00 -0.02 -0.07 -0.37 0.00 0.00 177.43 176.97 2vko h LEU 29 N 0.00 1.01 -0.21 0.34 4.07 -2.05 0.16 115.31 118.63 2vko h LEU 29 Ca 0.00 -0.29 -0.06 0.00 0.08 0.00 0.00 57.88 57.61 2vko h LEU 29 Cb 0.45 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2vko h LEU 29 CO 0.00 1.07 -0.10 0.00 -1.08 0.00 0.00 178.44 178.32 2vko h ALA 30 N 1.03 0.29 -0.28 1.53 0.00 -1.98 0.99 119.26 120.84 2vko h ALA 30 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2vko h ALA 30 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2vko h ALA 30 CO 0.03 0.13 0.18 0.28 0.00 0.00 0.00 179.25 179.88 2vko h VAL 31 N 0.14 1.08 -0.62 0.00 2.07 -1.61 -2.22 116.25 115.09 2vko h VAL 31 Ca 0.05 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2vko h VAL 31 Cb 0.59 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2vko h VAL 31 CO 0.03 0.08 0.30 0.11 0.02 0.00 0.00 177.57 178.10 2vko h LYS 32 N 0.38 0.87 -0.56 1.57 1.57 -0.60 -2.20 116.57 117.60 2vko h LYS 32 Ca 0.10 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2vko h LYS 32 Cb -0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2vko h LYS 32 CO -0.02 0.67 0.34 1.25 -0.57 0.00 0.00 179.45 181.12 2vko h LEU 33 N 0.87 0.67 -0.18 2.94 7.12 -0.66 -2.22 115.31 123.85 2vko h LEU 33 Ca 0.22 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.16 2vko h LEU 33 Cb 0.09 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 2vko h LEU 33 CO -0.03 0.53 0.05 0.74 -0.13 0.00 0.00 178.44 179.60 2vko h THR 34 N 0.75 1.19 -0.27 1.05 2.02 -1.10 -0.08 112.91 116.48 2vko h THR 34 Ca 0.20 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.83 2vko h THR 34 Cb -0.02 1.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.57 2vko h THR 34 CO -0.04 0.19 -0.44 0.03 0.37 0.00 0.00 175.52 175.63 2vko h ARG 35 N 0.10 -0.41 -0.78 6.66 3.08 -1.34 0.41 114.38 122.11 2vko h ARG 35 Ca 0.06 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.25 2vko h ARG 35 Cb 0.24 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 2vko h ARG 35 CO -0.00 -0.27 0.39 0.52 -1.07 0.00 0.00 179.97 179.54 2vko h MET 36 N -0.42 0.59 -0.46 0.04 2.86 -1.27 0.72 114.93 116.99 2vko h MET 36 Ca 0.10 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2vko h MET 36 Cb 0.61 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2vko h MET 36 CO -0.49 0.39 0.15 1.49 1.06 0.00 0.00 176.91 179.51 2vko h GLU 37 N 0.61 0.72 -0.29 1.72 4.81 0.12 -0.08 114.58 122.18 2vko h GLU 37 Ca 0.40 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2vko h GLU 37 Cb 0.50 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2vko h GLU 37 CO -0.32 0.68 -0.26 0.87 -0.73 0.00 0.00 179.01 179.26 2vko h LYS 38 N 0.61 0.57 -0.32 1.92 1.57 -0.50 -2.28 116.57 118.15 2vko h LYS 38 Ca 0.15 -0.23 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 2vko h LYS 38 Cb 0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2vko h LYS 38 CO -0.01 0.78 -0.34 1.15 -0.57 0.00 0.00 179.45 180.46 2vko h THR 39 N 0.50 1.29 -0.35 -0.16 2.02 -0.62 -2.10 112.91 113.50 2vko h THR 39 Ca 0.07 -1.52 0.05 0.00 0.77 0.00 0.00 66.41 65.78 2vko h THR 39 Cb 0.71 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 2vko h THR 39 CO 0.05 0.49 0.08 -0.07 0.37 0.00 0.00 175.52 176.45 2vko h LEU 40 N 0.57 0.03 -0.62 2.58 3.38 -0.95 0.23 115.31 120.53 2vko h LEU 40 Ca 0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2vko h LEU 40 Cb 0.93 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2vko h LEU 40 CO 0.08 0.05 0.38 0.50 0.09 0.00 0.00 178.44 179.55 2vko h LYS 41 N 0.20 0.83 -0.15 1.13 3.64 -1.32 0.30 116.57 121.21 2vko h LYS 41 Ca 0.16 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2vko h LYS 41 Cb 0.18 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2vko h LYS 41 CO -0.21 0.59 -0.03 0.00 -2.27 0.00 0.00 179.45 177.54 2vko h ALA 42 N 1.20 0.11 -0.88 5.00 0.00 -1.05 0.11 119.26 123.74 2vko h ALA 42 Ca 0.22 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2vko h ALA 42 Cb -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2vko h ALA 42 CO -0.04 -0.47 0.45 1.88 0.00 0.00 0.00 179.25 181.06 2vko h TYR 43 N 0.01 1.24 -0.51 0.00 0.99 -0.44 0.27 116.97 118.54 2vko h TYR 43 Ca 0.07 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 2vko h TYR 43 Cb 0.10 -0.39 -0.02 0.00 1.00 0.00 0.00 36.73 37.43 2vko h TYR 43 CO -0.18 0.88 0.06 0.93 -0.00 0.00 0.00 178.16 179.85 2vko h GLU 44 N 1.24 0.86 -0.36 4.88 5.08 -0.57 -0.05 114.58 125.65 2vko h GLU 44 Ca 0.30 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2vko h GLU 44 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2vko h GLU 44 CO -0.04 0.86 0.24 -0.07 -1.00 0.00 0.00 179.01 178.99 2vko h LEU 45 N 0.73 0.42 -0.55 1.33 3.38 -0.45 0.45 115.31 120.62 2vko h LEU 45 Ca 0.15 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2vko h LEU 45 Cb 0.44 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2vko h LEU 45 CO 0.01 0.32 0.33 0.22 0.09 0.00 0.00 178.44 179.41 2vko h TYR 46 N 0.49 0.61 -0.09 1.13 5.03 -0.56 0.85 116.97 124.43 2vko h TYR 46 Ca 0.13 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.33 2vko h TYR 46 Cb -0.04 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.05 2vko h TYR 46 CO -0.05 0.34 -0.44 0.82 -1.32 0.00 0.00 178.16 177.52 2vko h ILE 47 N 0.64 1.39 0.00 1.81 2.04 -0.84 -3.39 117.51 119.15 2vko h ILE 47 Ca 0.22 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2vko h ILE 47 Cb 0.04 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2vko h ILE 47 CO -0.11 0.53 -1.25 0.49 0.00 0.00 0.00 178.15 177.81 2vko n PHE 48 N -4.30 0.00 -3.13 1.37 3.01 0.13 -5.00 117.46 109.55 2vko n PHE 48 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2vko n PHE 48 Cb 0.56 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 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 -1.73 1.39 -4.89 4.37 2.88 0.29 -5.03 113.62 110.89 2vko n SER 49 Ca -0.01 -0.43 -0.29 0.00 -1.33 0.00 0.00 58.87 56.80 2vko n SER 49 Cb 0.28 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 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 6.47 0.23 -3.46 1.01 -1.26 -4.80 116.67 114.65 2vko s ASP 50 Ca 0.00 0.97 -0.06 0.00 0.71 0.00 0.00 52.55 54.17 2vko s ASP 50 Cb 0.00 -2.25 0.37 0.00 1.01 0.00 0.00 42.92 42.05 2vko s ASP 50 CO 0.00 -0.34 1.77 0.22 0.21 0.00 0.00 175.17 177.03 2vko h TYR 51 N 1.31 0.64 0.00 4.23 5.03 -1.88 -0.78 116.97 125.52 2vko h TYR 51 Ca -0.47 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 60.82 2vko h TYR 51 Cb 1.19 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.29 2vko h TYR 51 CO 0.59 0.21 -0.22 1.05 -1.32 0.00 0.00 178.16 178.47 2vko h GLU 52 N 0.59 0.00 -0.10 1.82 9.09 -1.97 0.23 114.58 124.23 2vko h GLU 52 Ca 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.77 2vko h GLU 52 Cb 0.43 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.53 2vko h GLU 52 CO -0.30 0.22 0.03 -0.91 0.05 0.00 0.00 179.01 178.11 2vko h ASN 53 N 0.00 0.15 0.09 3.06 2.35 -1.54 0.14 115.58 119.83 2vko h ASN 53 Ca -0.00 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.56 2vko h ASN 53 Cb 0.39 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 2vko h ASN 53 CO 0.03 0.31 -0.18 0.15 -1.65 0.00 0.00 177.43 176.09 2vko h PHE 54 N -0.02 -0.48 -0.40 1.19 3.04 -0.97 -1.59 116.94 117.71 2vko h PHE 54 Ca 0.03 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.08 2vko h PHE 54 Cb 0.22 0.20 -0.08 0.00 2.56 0.00 0.00 35.95 38.84 2vko h PHE 54 CO -0.00 -0.27 -0.17 1.49 -2.02 0.00 0.00 178.31 177.33 2vko h GLU 55 N -0.35 -0.10 -0.94 1.11 4.81 -0.53 -1.54 114.58 117.05 2vko h GLU 55 Ca 0.03 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2vko h GLU 55 Cb 0.37 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 2vko h GLU 55 CO -0.11 -0.06 0.58 -0.91 -0.73 0.00 0.00 179.01 177.77 2vko h ASN 56 N -0.10 1.12 0.12 1.04 2.35 -0.59 -1.81 115.58 117.72 2vko h ASN 56 Ca 0.20 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2vko h ASN 56 Cb 0.40 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2vko h ASN 56 CO -0.46 0.86 -0.06 0.22 -1.65 0.00 0.00 177.43 176.34 2vko h TYR 57 N 1.29 -0.15 -0.26 1.19 5.03 -1.00 -1.29 116.97 121.79 2vko h TYR 57 Ca 0.34 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.68 2vko h TYR 57 Cb -0.07 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 2vko h TYR 57 CO 0.00 0.09 0.05 0.28 -1.32 0.00 0.00 178.16 177.26 2vko h VAL 58 N -0.37 0.88 0.03 1.81 2.07 -1.19 0.67 116.25 120.15 2vko h VAL 58 Ca -0.02 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2vko h VAL 58 Cb 0.30 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2vko h VAL 58 CO 0.03 0.03 -0.28 0.11 0.02 0.00 0.00 177.57 177.47 2vko h LYS 59 N 0.15 -0.43 0.00 1.57 1.57 -1.36 0.31 116.57 118.37 2vko h LYS 59 Ca 0.12 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2vko h LYS 59 Cb 0.12 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2vko h LYS 59 CO -0.16 -0.29 -0.23 -0.22 -0.57 0.00 0.00 179.45 177.99 2vko h LYS 60 N -0.45 0.00 0.00 3.15 1.63 -0.91 -2.71 116.57 117.28 2vko h LYS 60 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2vko h LYS 60 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2vko h LYS 60 CO -0.22 0.23 -1.09 0.39 -3.45 0.00 0.00 179.45 175.30 2vko n GLU 61 N -3.63 0.16 -3.33 1.90 -0.58 0.20 -5.01 120.64 110.35 2vko n GLU 61 Ca -0.01 -0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.52 2vko n GLU 61 Cb 0.36 -1.53 0.07 0.00 -0.57 0.00 0.00 31.44 29.77 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 1.43 -0.28 3.78 0.62 0.00 0.10 -5.01 105.19 105.84 2vko n GLY 62 Ca 0.03 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -6.04 4.47 -0.78 0.99 1.43 -0.78 -5.04 118.68 112.94 2vko s LEU 63 Ca 0.29 1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 2vko s LEU 63 Cb -0.13 -2.94 0.19 0.00 0.03 0.00 0.00 46.19 43.35 2vko s LEU 63 CO 0.61 0.18 0.74 -1.59 0.23 0.00 0.00 176.35 176.52 2vko s LYS 64 N -0.63 3.48 -0.08 1.70 -2.85 -1.26 -4.87 119.74 115.24 2vko s LYS 64 Ca 0.31 -2.25 -0.29 0.00 -1.00 0.00 0.00 55.97 52.74 2vko s LYS 64 Cb -0.19 -4.43 -0.02 0.00 -2.06 0.00 0.00 37.83 31.13 2vko s LYS 64 CO 0.19 -1.34 0.95 0.42 0.10 0.00 0.00 175.35 175.67 2vko s ILE 65 N 0.65 4.85 0.10 3.79 -1.09 -1.26 -5.02 121.20 123.21 2vko s ILE 65 Ca 0.16 1.94 -0.30 0.00 -2.23 0.00 0.00 60.65 60.22 2vko s ILE 65 Cb -0.14 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.41 2vko s ILE 65 CO -0.06 0.08 1.16 -1.61 -1.23 0.00 0.00 174.94 173.28 2vko s GLU 66 N 1.60 4.49 0.00 2.79 0.41 -1.26 -2.53 118.70 124.19 2vko s GLU 66 Ca 0.47 1.74 0.00 0.00 -0.41 0.00 0.00 54.97 56.78 2vko s GLU 66 Cb -0.19 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.84 2vko s GLU 66 CO 0.20 -0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.24 2vko n GLY 67 N 2.79 0.61 0.37 -1.39 0.00 -1.26 -4.97 105.19 101.34 2vko n GLY 67 Ca 0.07 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.21 2vko n GLY 67 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2vko h MET 68 N 1.63 0.63 0.00 1.61 2.86 -1.91 -0.40 114.93 119.34 2vko h MET 68 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2vko h MET 68 Cb 0.00 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2vko h MET 68 CO 0.00 0.42 -0.16 0.93 1.06 0.00 0.00 176.91 179.15 2vko h GLU 69 N 0.65 0.00 0.00 1.72 3.07 -1.93 -2.44 114.58 115.64 2vko h GLU 69 Ca 0.57 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.39 2vko h GLU 69 Cb 1.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 2vko h GLU 69 CO -0.35 0.16 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.15 2vko h LEU 70 N 0.00 0.00 -0.67 1.33 3.38 -1.48 -3.40 115.31 114.47 2vko h LEU 70 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2vko h LEU 70 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2vko h LEU 70 CO 0.02 0.21 -0.19 -0.07 0.09 0.00 0.00 178.44 178.50 2vko h LEU 71 N 0.00 0.84 -0.07 1.67 3.38 -1.46 -2.27 115.31 117.39 2vko h LEU 71 Ca -0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2vko h LEU 71 Cb 1.05 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2vko h LEU 71 CO 0.03 1.01 0.04 0.50 0.09 0.00 0.00 178.44 180.11 2vko h LYS 72 N 0.73 0.10 -0.03 1.13 3.64 -1.77 -0.43 116.57 119.93 2vko h LYS 72 Ca 0.10 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 2vko h LYS 72 Cb 0.71 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2vko h LYS 72 CO 0.05 0.15 -0.73 0.93 -2.27 0.00 0.00 179.45 177.59 2vko h GLU 73 N 0.03 0.16 -0.92 1.90 4.39 -1.82 -2.19 114.58 116.14 2vko h GLU 73 Ca 0.03 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.63 2vko h GLU 73 Cb 0.08 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 2vko h GLU 73 CO -0.00 0.82 0.59 0.87 -1.16 0.00 0.00 179.01 180.12 2vko h LYS 74 N 0.11 1.08 -0.57 2.33 1.57 -1.35 -0.26 116.57 119.48 2vko h LYS 74 Ca -0.02 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2vko h LYS 74 Cb 1.28 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2vko h LYS 74 CO 0.11 0.71 0.19 -0.22 -0.57 0.00 0.00 179.45 179.67 2vko h LYS 75 N 1.11 0.88 -0.27 3.15 3.11 -0.85 0.60 116.57 124.30 2vko h LYS 75 Ca 0.38 -0.18 -0.19 0.00 -2.81 0.00 0.00 60.65 57.84 2vko h LYS 75 Cb 0.07 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.17 2vko h LYS 75 CO -0.14 0.78 -0.59 0.00 -2.81 0.00 0.00 179.45 176.70 2vko h ALA 76 N 1.05 0.44 -0.24 5.00 0.00 -0.89 -1.24 119.26 123.38 2vko h ALA 76 Ca 0.18 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2vko h ALA 76 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2vko h ALA 76 CO -0.01 0.68 -0.10 0.00 0.00 0.00 0.00 179.25 179.83 2vko h ARG 77 N 0.65 0.39 -0.02 0.00 3.08 -0.83 -1.24 114.38 116.41 2vko h ARG 77 Ca 0.00 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.78 2vko h ARG 77 Cb 1.20 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2vko h ARG 77 CO 0.13 0.50 -0.78 0.66 -1.07 0.00 0.00 179.97 179.41 2vko h SER 78 N 0.37 0.25 -0.32 7.04 4.64 -0.65 -0.77 113.55 124.10 2vko h SER 78 Ca 0.07 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 2vko h SER 78 Cb 0.41 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2vko h SER 78 CO 0.02 0.93 0.09 -0.07 -0.87 0.00 0.00 176.83 176.93 2vko h LEU 79 N 0.13 0.49 -0.25 5.97 3.38 -0.77 -0.27 115.31 123.98 2vko h LEU 79 Ca -0.03 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2vko h LEU 79 Cb 1.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2vko h LEU 79 CO 0.12 0.58 0.10 0.40 0.09 0.00 0.00 178.44 179.74 2vko h ILE 80 N 0.37 0.96 -0.47 1.22 1.08 -1.20 0.14 117.51 119.60 2vko h ILE 80 Ca 0.10 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 2vko h ILE 80 Cb 0.28 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2vko h ILE 80 CO -0.00 0.04 0.23 0.00 -0.69 0.00 0.00 178.15 177.73 2vko h ALA 81 N 1.14 0.61 0.01 1.87 0.00 -0.88 0.27 119.26 122.29 2vko h ALA 81 Ca 0.11 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2vko h ALA 81 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2vko h ALA 81 CO -0.09 0.18 -0.96 0.93 0.00 0.00 0.00 179.25 179.31 2vko h GLU 82 N 0.62 0.40 -0.39 0.00 5.08 -1.01 -2.01 114.58 117.28 2vko h GLU 82 Ca 0.16 -0.44 0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2vko h GLU 82 Cb 0.12 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2vko h GLU 82 CO -0.02 1.11 0.09 0.78 -1.00 0.00 0.00 179.01 179.97 2vko h GLY 83 N 1.26 0.47 1.42 -3.84 0.00 -0.52 -1.63 103.07 100.23 2vko h GLY 83 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2vko h GLY 83 CO 0.17 -0.03 0.14 0.50 0.00 0.00 0.00 176.54 177.32 2vko h LYS 84 N 0.22 0.74 -0.49 4.80 1.57 -0.77 0.11 116.57 122.75 2vko h LYS 84 Ca 0.19 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2vko h LYS 84 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2vko h LYS 84 CO -0.24 0.65 -0.06 -0.44 -0.57 0.00 0.00 179.45 178.79 2vko h ASP 85 N 0.72 0.84 -0.29 0.86 3.32 -0.93 0.20 116.42 121.14 2vko h ASP 85 Ca 0.17 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 2vko h ASP 85 Cb 0.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2vko h ASP 85 CO -0.01 0.94 -0.27 -0.07 -1.72 0.00 0.00 179.24 178.12 2vko h LEU 86 N 0.78 0.74 -0.58 1.55 3.38 -1.08 -2.21 115.31 117.90 2vko h LEU 86 Ca 0.14 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.74 2vko h LEU 86 Cb 0.56 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2vko h LEU 86 CO 0.03 1.05 0.20 0.15 0.09 0.00 0.00 178.44 179.96 2vko h PHE 87 N 0.45 0.34 0.00 1.13 3.57 -0.38 0.29 116.94 122.35 2vko h PHE 87 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2vko h PHE 87 Cb 0.83 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2vko h PHE 87 CO 0.07 0.08 0.00 0.93 -2.23 0.00 0.00 178.31 177.16 2vko h GLU 88 N 0.37 0.00 -0.64 1.11 4.39 -0.53 -1.13 114.58 118.15 2vko h GLU 88 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2vko h GLU 88 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2vko h GLU 88 CO -0.30 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 177.80 2vko n THR 89 N -2.68 2.18 -2.50 1.13 -2.24 -0.84 -4.94 114.28 104.39 2vko n THR 89 Ca 0.03 -1.26 -0.18 0.00 -2.27 0.00 0.00 64.05 60.37 2vko n THR 89 Cb 0.36 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.95 -0.61 -3.23 6.98 0.00 -0.43 -4.91 120.51 119.25 2vko n ALA 90 Ca 0.27 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.48 2vko n ALA 90 Cb 1.01 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.55 5.53 -0.13 0.00 3.02 0.04 -4.88 115.26 117.29 2vko n ASN 91 Ca -0.18 -3.30 -0.08 0.00 -0.03 0.00 0.00 54.58 50.99 2vko n ASN 91 Cb 0.65 -1.18 0.08 0.00 -0.61 0.00 0.00 39.78 38.72 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 5.60 0.97 -0.54 3.10 -1.99 -1.88 0.15 116.97 122.38 2vko h TYR 92 Ca 0.19 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 2vko h TYR 92 Cb 0.71 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.17 2vko h TYR 92 CO 0.87 0.94 0.21 0.78 -0.00 0.00 0.00 178.16 180.97 2vko h GLY 93 N 0.96 0.88 0.85 3.88 0.00 -1.89 -1.40 103.07 106.35 2vko h GLY 93 Ca 0.12 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2vko h GLY 93 CO 0.05 0.46 -0.06 0.83 0.00 0.00 0.00 176.54 177.81 2vko h GLU 94 N 0.74 0.48 -0.34 4.80 5.08 -1.91 -3.19 114.58 120.25 2vko h GLU 94 Ca 0.18 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2vko h GLU 94 Cb 0.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2vko h GLU 94 CO -0.01 0.70 0.16 0.00 -1.00 0.00 0.00 179.01 178.86 2vko h ALA 95 N 0.76 1.65 -0.89 3.43 0.00 -0.79 -2.55 119.26 120.88 2vko h ALA 95 Ca 0.06 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2vko h ALA 95 Cb 0.53 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 2vko h ALA 95 CO 0.02 0.29 0.45 1.25 0.00 0.00 0.00 179.25 181.26 2vko h LEU 96 N 0.47 0.50 -0.69 0.00 5.85 -1.24 -1.28 115.31 118.93 2vko h LEU 96 Ca 0.12 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2vko h LEU 96 Cb 0.05 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2vko h LEU 96 CO -0.02 0.15 0.37 0.58 -0.34 0.00 0.00 178.44 179.19 2vko h VAL 97 N 0.56 1.21 -0.23 1.05 2.07 -1.61 -1.09 116.25 118.22 2vko h VAL 97 Ca 0.51 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2vko h VAL 97 Cb 0.84 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2vko h VAL 97 CO -0.42 0.24 0.05 -0.26 0.02 0.00 0.00 177.57 177.19 2vko h PHE 98 N 0.94 0.39 -0.59 1.57 -1.00 -1.38 -1.47 116.94 115.40 2vko h PHE 98 Ca 0.24 -0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.93 2vko h PHE 98 Cb 0.05 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 2vko h PHE 98 CO -0.00 0.48 0.22 0.74 -1.61 0.00 0.00 178.31 178.14 2vko h PHE 99 N 0.18 0.92 -0.37 -0.55 0.05 -1.21 -0.05 116.94 115.91 2vko h PHE 99 Ca 0.07 -0.08 -0.02 0.00 3.82 0.00 0.00 57.97 61.76 2vko h PHE 99 Cb 0.30 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 37.96 2vko h PHE 99 CO 0.02 0.75 0.16 1.49 -0.18 0.00 0.00 178.31 180.55 2vko h GLU 100 N 0.82 0.54 -0.73 1.51 4.57 -1.17 -1.01 114.58 119.11 2vko h GLU 100 Ca 0.19 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2vko h GLU 100 Cb 0.24 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2vko h GLU 100 CO -0.01 0.50 0.41 0.87 -1.18 0.00 0.00 179.01 179.59 2vko h LYS 101 N 0.45 1.01 -0.54 1.92 1.57 -1.01 -2.36 116.57 117.61 2vko h LYS 101 Ca 0.12 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2vko h LYS 101 Cb 0.15 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2vko h LYS 101 CO -0.01 0.75 0.23 0.00 -0.57 0.00 0.00 179.45 179.84 2vko h ALA 102 N 1.21 0.70 -0.94 3.86 0.00 -0.67 0.51 119.26 123.93 2vko h ALA 102 Ca 0.26 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2vko h ALA 102 Cb 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2vko h ALA 102 CO -0.04 0.30 0.62 1.25 0.00 0.00 0.00 179.25 181.38 2vko h LEU 103 N 0.73 1.03 0.00 0.00 6.46 -1.05 -2.05 115.31 120.44 2vko h LEU 103 Ca 0.18 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2vko h LEU 103 Cb 0.18 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2vko h LEU 103 CO -0.02 0.72 -0.78 0.78 -0.62 0.00 0.00 178.44 178.52 2vko h ASN 104 N 1.20 0.00 0.03 1.25 2.35 -0.93 -3.38 115.58 116.09 2vko h ASN 104 Ca 0.37 -0.14 -0.31 0.00 -0.55 0.00 0.00 56.30 55.67 2vko h ASN 104 Cb -0.02 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 2vko h ASN 104 CO -0.11 0.07 -1.69 -0.11 -1.65 0.00 0.00 177.43 173.95 2vko n LEU 105 N -2.33 2.10 -4.77 1.61 7.94 0.13 -4.98 117.00 116.69 2vko n LEU 105 Ca 0.02 0.34 -0.38 0.00 -1.11 0.00 0.00 56.01 54.87 2vko n LEU 105 Cb 0.48 -0.97 -0.02 0.00 0.53 0.00 0.00 43.42 43.44 2vko n LEU 105 CO 0.38 0.48 0.85 -0.55 -1.11 0.00 0.00 177.39 177.44 2vko s SER 106 N -6.99 6.47 0.00 1.96 0.15 -0.79 -4.95 113.70 109.55 2vko s SER 106 Ca -0.29 2.36 0.25 0.00 0.70 0.00 0.00 55.95 58.97 2vko s SER 106 Cb 0.08 -2.61 0.53 0.00 -1.71 0.00 0.00 66.02 62.31 2vko s SER 106 CO 0.61 -0.71 1.43 0.47 1.20 0.00 0.00 173.24 176.24 2vko n ASP 107 N 0.01 0.64 -4.60 5.45 8.00 -1.26 -4.90 116.55 119.89 2vko n ASP 107 Ca 0.05 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.70 2vko n ASP 107 Cb 0.46 0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.89 6.64 0.48 -2.24 3.04 -1.26 -4.94 114.94 113.77 2vko s ASN 108 Ca 0.14 0.49 0.14 0.00 0.04 0.00 0.00 52.86 53.67 2vko s ASN 108 Cb 0.18 -2.46 1.13 0.00 -1.54 0.00 0.00 41.25 38.57 2vko s ASN 108 CO 0.67 -0.88 2.08 -0.33 -3.04 0.00 0.00 177.10 175.60 2vko h GLU 109 N 8.57 0.21 -0.25 0.43 4.39 -1.99 -1.49 114.58 124.46 2vko h GLU 109 Ca -0.23 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.32 2vko h GLU 109 Cb 1.08 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2vko h GLU 109 CO 0.98 0.14 -0.35 1.49 -1.16 0.00 0.00 179.01 180.11 2vko h GLU 110 N 0.22 0.67 0.00 2.33 4.57 -1.98 0.98 114.58 121.37 2vko h GLU 110 Ca 0.12 -0.39 -0.05 0.00 -1.18 0.00 0.00 59.36 57.85 2vko h GLU 110 Cb 0.19 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2vko h GLU 110 CO -0.02 1.01 -0.26 -0.84 -1.18 0.00 0.00 179.01 177.72 2vko h ILE 111 N 0.39 0.69 -0.36 2.32 3.07 -1.84 0.98 117.51 122.77 2vko h ILE 111 Ca 0.03 -1.15 -0.06 0.00 1.55 0.00 0.00 64.86 65.23 2vko h ILE 111 Cb 0.94 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 39.21 2vko h ILE 111 CO 0.08 0.26 -0.02 0.11 -1.05 0.00 0.00 178.15 177.53 2vko h LYS 112 N 0.00 0.65 -0.71 0.16 1.57 -1.03 -0.05 116.57 117.16 2vko h LYS 112 Ca -0.00 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2vko h LYS 112 Cb 0.72 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2vko h LYS 112 CO 0.03 0.77 0.32 0.87 -0.57 0.00 0.00 179.45 180.87 2vko h LYS 113 N 0.45 1.03 -0.44 3.15 6.56 -0.33 -0.23 116.57 126.78 2vko h LYS 113 Ca 0.10 -0.17 -0.06 0.00 -1.06 0.00 0.00 60.65 59.47 2vko h LYS 113 Cb 0.49 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 2vko h LYS 113 CO 0.02 0.83 0.05 0.82 -2.06 0.00 0.00 179.45 179.11 2vko h ILE 114 N 1.00 1.25 -0.43 1.86 2.04 -0.76 -2.08 117.51 120.39 2vko h ILE 114 Ca 0.24 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2vko h ILE 114 Cb 0.15 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2vko h ILE 114 CO -0.03 0.32 0.22 0.00 0.00 0.00 0.00 178.15 178.67 2vko h ALA 115 N 0.93 0.55 -0.27 1.87 0.00 -0.77 -1.66 119.26 119.92 2vko h ALA 115 Ca 0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2vko h ALA 115 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2vko h ALA 115 CO 0.01 0.10 -0.11 0.77 0.00 0.00 0.00 179.25 180.03 2vko h SER 116 N 0.56 0.43 0.13 0.00 0.02 -1.00 0.15 113.55 113.83 2vko h SER 116 Ca 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2vko h SER 116 Cb 0.10 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2vko h SER 116 CO -0.02 0.58 -0.06 0.15 -1.14 0.00 0.00 176.83 176.34 2vko h PHE 117 N 0.42 -0.16 -0.22 3.45 3.57 -1.08 -1.90 116.94 121.02 2vko h PHE 117 Ca 0.08 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2vko h PHE 117 Cb 0.45 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2vko h PHE 117 CO 0.01 0.18 -0.23 1.88 -2.23 0.00 0.00 178.31 177.93 2vko h TYR 118 N -0.51 0.44 -0.19 0.41 -1.99 -1.04 -1.61 116.97 112.48 2vko h TYR 118 Ca -0.02 -0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.64 2vko h TYR 118 Cb 0.41 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 2vko h TYR 118 CO 0.04 0.60 0.10 -0.07 -0.00 0.00 0.00 178.16 178.83 2vko h LEU 119 N 0.36 0.16 -1.04 3.88 3.38 -0.65 0.43 115.31 121.83 2vko h LEU 119 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2vko h LEU 119 Cb 0.60 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2vko h LEU 119 CO 0.04 0.12 0.46 -0.08 0.09 0.00 0.00 178.44 179.07 2vko h GLU 120 N 0.22 1.12 -0.62 1.13 4.57 -1.01 0.07 114.58 120.07 2vko h GLU 120 Ca 0.07 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2vko h GLU 120 Cb 0.00 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 2vko h GLU 120 CO -0.04 0.81 0.25 0.93 -1.18 0.00 0.00 179.01 179.78 2vko h GLU 121 N 1.13 0.92 -0.70 1.92 4.39 -0.76 -1.40 114.58 120.10 2vko h GLU 121 Ca 0.29 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2vko h GLU 121 Cb 0.01 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 2vko h GLU 121 CO -0.05 0.78 0.15 0.00 -1.16 0.00 0.00 179.01 178.73 2vko h ARG 123 N 1.06 0.86 -0.34 0.00 3.08 -0.82 -1.14 114.38 117.09 2vko h ARG 123 Ca 0.22 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 2vko h ARG 123 Cb 0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2vko h ARG 123 CO 0.01 0.78 -0.23 0.87 -1.07 0.00 0.00 179.97 180.33 2vko h LYS 124 N 0.82 0.66 -0.47 0.04 1.57 -0.88 -2.08 116.57 116.25 2vko h LYS 124 Ca 0.18 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2vko h LYS 124 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2vko h LYS 124 CO 0.00 0.84 0.03 0.87 -0.57 0.00 0.00 179.45 180.62 2vko h LYS 125 N 0.58 0.80 -0.34 3.15 1.79 -0.95 -2.53 116.57 119.08 2vko h LYS 125 Ca 0.08 -0.24 0.03 0.00 -2.18 0.00 0.00 60.65 58.34 2vko h LYS 125 Cb 0.70 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 2vko h LYS 125 CO 0.05 0.84 0.23 -0.07 -1.08 0.00 0.00 179.45 179.42 2vko h LEU 126 N 0.66 0.30 0.00 2.94 3.38 -1.06 -2.34 115.31 119.19 2vko h LEU 126 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vko h LEU 126 Cb 0.46 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2vko h LEU 126 CO 0.02 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2vko n ALA 127 N -2.51 2.34 0.00 1.53 0.00 -0.79 -4.90 120.51 116.18 2vko n ALA 127 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2vko n ALA 127 Cb 0.15 -1.42 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 0.87 2.21 0.00 0.00 0.00 -0.88 -5.09 105.19 102.30 2vko n GLY 128 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2vko n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54