#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kov h ARG 3 N 0.00 0.26 -6.61 1.61 3.08 -2.13 -3.40 114.38 107.20 3kov h ARG 3 Ca 0.00 -0.02 -0.68 0.00 0.07 0.00 0.00 59.98 59.35 3kov h ARG 3 Cb 0.00 -0.06 -0.20 0.00 0.08 0.00 0.00 29.97 29.79 3kov h ARG 3 CO 0.00 0.17 -0.80 0.15 -1.07 0.00 0.00 179.97 178.43 3kov s LYS 4 N -6.06 2.01 0.51 0.04 1.02 -1.26 -5.13 119.74 110.87 3kov s LYS 4 Ca -0.13 -1.03 -0.19 0.00 0.02 0.00 0.00 55.97 54.64 3kov s LYS 4 Cb 0.21 -2.18 -0.08 0.00 -0.52 0.00 0.00 37.83 35.25 3kov s LYS 4 CO 0.75 0.52 1.02 0.21 -0.92 0.00 0.00 175.35 176.94 3kov s LYS 5 N -1.70 3.78 0.04 1.68 2.20 -1.26 -5.07 119.74 119.40 3kov s LYS 5 Ca 0.16 1.22 0.04 0.00 -0.36 0.00 0.00 55.97 57.03 3kov s LYS 5 Cb -0.11 -2.10 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 3kov s LYS 5 CO 0.07 -0.43 -0.11 0.96 -0.36 0.00 0.00 175.35 175.48 3kov s ILE 6 N -2.23 0.81 -0.12 5.43 -0.00 -1.26 -5.11 121.20 118.73 3kov s ILE 6 Ca 0.64 -0.97 -0.23 0.00 -0.00 0.00 0.00 60.65 60.09 3kov s ILE 6 Cb -0.14 -0.78 -0.03 0.00 -0.00 0.00 0.00 42.46 41.51 3kov s ILE 6 CO 0.25 -0.15 0.70 -1.10 -0.00 0.00 0.00 174.94 174.63 3kov s GLN 7 N -1.25 4.35 -0.12 0.37 -1.52 -1.26 -4.98 119.66 115.25 3kov s GLN 7 Ca -0.03 0.83 -0.29 0.00 -1.95 0.00 0.00 55.36 53.92 3kov s GLN 7 Cb -0.08 -3.50 -0.07 0.00 -0.22 0.00 0.00 33.01 29.14 3kov s GLN 7 CO 0.01 -0.08 2.13 -0.89 -0.25 0.00 0.00 175.29 176.21 3kov n ILE 8 N 4.19 0.51 -3.60 1.08 2.08 -1.26 -4.86 119.36 117.49 3kov n ILE 8 Ca -0.00 -0.34 -0.06 0.00 0.56 0.00 0.00 62.75 62.91 3kov n ILE 8 Cb 0.50 -2.48 -0.04 0.00 -0.75 0.00 0.00 39.64 36.88 3kov n ILE 8 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3kov s THR 9 N 6.89 0.00 -0.34 1.39 -4.23 -1.26 -5.11 115.64 112.99 3kov s THR 9 Ca 0.97 0.00 -0.41 0.00 -1.18 0.00 0.00 61.69 61.07 3kov s THR 9 Cb -0.37 -1.00 -0.16 0.00 1.34 0.00 0.00 72.50 72.31 3kov s THR 9 CO 0.38 0.00 1.83 -1.14 -0.54 0.00 0.00 174.62 175.15 3kov n ARG 10 N 0.38 0.91 -1.60 3.99 0.63 -1.26 -4.81 116.66 114.89 3kov n ARG 10 Ca -0.04 0.32 -0.44 0.00 -0.92 0.00 0.00 57.85 56.77 3kov n ARG 10 Cb 0.58 -2.04 -0.04 0.00 0.45 0.00 0.00 32.46 31.42 3kov n ARG 10 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3kov n ILE 11 N 5.10 0.43 0.15 5.15 2.08 -1.26 -4.84 119.36 126.17 3kov n ILE 11 Ca 0.32 -0.35 0.01 0.00 0.56 0.00 0.00 62.75 63.29 3kov n ILE 11 Cb 0.11 -2.36 0.19 0.00 -0.75 0.00 0.00 39.64 36.83 3kov n ILE 11 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3kov h MET 12 N 13.42 0.00 -6.01 0.38 2.86 -2.01 -3.42 114.93 120.15 3kov h MET 12 Ca -0.42 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 56.74 3kov h MET 12 Cb 1.25 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.87 3kov h MET 12 CO 0.96 0.57 1.24 0.34 1.06 0.00 0.00 176.91 181.07 3kov s ASP 13 N -6.68 5.43 0.64 1.22 2.15 -1.26 -4.85 116.67 113.33 3kov s ASP 13 Ca -0.00 0.04 0.11 0.00 0.43 0.00 0.00 52.55 53.12 3kov s ASP 13 Cb 0.12 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.61 3kov s ASP 13 CO 0.74 -2.31 1.17 -0.33 -0.17 0.00 0.00 175.17 174.27 3kov h GLU 14 N 13.58 0.00 0.00 4.34 4.39 -2.00 -0.77 114.58 134.12 3kov h GLU 14 Ca -0.21 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.30 3kov h GLU 14 Cb 1.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 3kov h GLU 14 CO 1.23 0.00 -1.32 0.54 -1.16 0.00 0.00 179.01 178.31 3kov n ARG 15 N -2.78 0.54 0.19 2.33 1.74 -1.26 -2.95 116.66 114.47 3kov n ARG 15 Ca 0.07 0.44 0.06 0.00 -0.77 0.00 0.00 57.85 57.65 3kov n ARG 15 Cb 1.11 -1.63 0.55 0.00 -1.02 0.00 0.00 32.46 31.48 3kov n ARG 15 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 3kov h ASN 16 N -1.00 0.11 0.65 0.55 -0.73 -1.68 0.11 115.58 113.60 3kov h ASN 16 Ca -0.29 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 57.85 3kov h ASN 16 Cb 1.12 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.68 3kov h ASN 16 CO -0.17 0.13 -0.43 -0.09 -0.37 0.00 0.00 177.43 176.50 3kov h ARG 17 N 0.12 -0.99 -0.81 6.67 2.43 -1.35 0.27 114.38 120.72 3kov h ARG 17 Ca 0.03 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 3kov h ARG 17 Cb 0.08 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 3kov h ARG 17 CO 0.00 -0.66 0.53 0.37 -1.51 0.00 0.00 179.97 178.70 3kov h GLN 18 N -1.03 0.76 0.17 0.20 -0.00 -1.08 0.11 115.11 114.24 3kov h GLN 18 Ca -0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 3kov h GLN 18 Cb 0.84 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 28.15 3kov h GLN 18 CO 0.07 0.50 -0.08 0.28 0.00 0.00 0.00 178.83 179.60 3kov h VAL 19 N 0.78 0.86 -0.88 2.39 2.07 -0.66 -2.94 116.25 117.87 3kov h VAL 19 Ca 0.37 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.92 3kov h VAL 19 Cb 0.40 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 3kov h VAL 19 CO -0.14 0.21 0.53 0.74 0.02 0.00 0.00 177.57 178.92 3kov h THR 20 N -0.83 0.92 -0.18 2.57 2.02 -0.04 -1.40 112.91 115.98 3kov h THR 20 Ca -0.02 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 66.91 3kov h THR 20 Cb 0.52 -0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 3kov h THR 20 CO 0.04 0.16 -0.25 0.15 0.37 0.00 0.00 175.52 175.98 3kov h PHE 21 N 0.87 -0.68 -0.51 3.16 3.57 -0.83 -0.14 116.94 122.38 3kov h PHE 21 Ca 0.43 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.97 3kov h PHE 21 Cb 0.38 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3kov h PHE 21 CO -0.04 -0.33 0.33 1.15 -2.23 0.00 0.00 178.31 177.19 3kov h THR 22 N -0.30 1.12 0.70 4.41 2.02 -1.10 0.14 112.91 119.91 3kov h THR 22 Ca 0.11 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3kov h THR 22 Cb 0.47 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3kov h THR 22 CO -0.35 0.12 -0.34 0.11 0.37 0.00 0.00 175.52 175.44 3kov h LYS 23 N 0.68 -0.91 -0.56 6.66 1.57 -0.99 -3.11 116.57 119.91 3kov h LYS 23 Ca 0.19 0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 3kov h LYS 23 Cb -0.07 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3kov h LYS 23 CO -0.04 -0.58 0.01 0.00 -0.57 0.00 0.00 179.45 178.27 3kov h ARG 24 N -1.06 0.96 -0.90 3.15 3.08 -0.96 -2.20 114.38 116.45 3kov h ARG 24 Ca -0.10 -0.28 0.19 0.00 0.07 0.00 0.00 59.98 59.86 3kov h ARG 24 Cb 0.75 -0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.59 3kov h ARG 24 CO 0.16 0.94 0.45 -0.22 -1.07 0.00 0.00 179.97 180.23 3kov h LYS 25 N 0.89 0.53 -0.39 0.04 3.64 -1.01 0.51 116.57 120.79 3kov h LYS 25 Ca 0.17 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 3kov h LYS 25 Cb 0.51 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3kov h LYS 25 CO 0.02 0.35 -0.16 0.35 -2.27 0.00 0.00 179.45 177.75 3kov h PHE 26 N 0.55 0.90 -0.29 1.91 3.57 -1.34 -1.02 116.94 121.23 3kov h PHE 26 Ca 0.53 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.85 3kov h PHE 26 Cb 0.88 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3kov h PHE 26 CO -0.09 0.96 0.05 0.78 -2.23 0.00 0.00 178.31 177.77 3kov h GLY 27 N 0.59 0.32 0.27 2.40 0.00 -0.35 0.36 103.07 106.65 3kov h GLY 27 Ca 0.09 -0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3kov h GLY 27 CO 0.05 -0.02 -0.14 -2.00 0.00 0.00 0.00 176.54 174.43 3kov h LEU 28 N 0.15 -0.48 -0.81 3.11 5.85 0.09 -0.13 115.31 123.09 3kov h LEU 28 Ca 0.13 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3kov h LEU 28 Cb 0.15 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3kov h LEU 28 CO -0.19 -0.18 0.09 0.24 -0.34 0.00 0.00 178.44 178.07 3kov h MET 29 N -0.10 0.99 0.68 1.25 2.86 -0.23 -1.04 114.93 119.34 3kov h MET 29 Ca 0.15 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3kov h MET 29 Cb 0.33 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3kov h MET 29 CO -0.36 0.92 -0.44 -0.22 1.06 0.00 0.00 176.91 177.87 3kov h LYS 30 N 0.93 -1.02 -0.55 1.72 3.64 0.66 0.33 116.57 122.28 3kov h LYS 30 Ca 0.19 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.69 3kov h LYS 30 Cb 0.41 0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 3kov h LYS 30 CO 0.01 -0.68 -0.46 0.87 -2.27 0.00 0.00 179.45 176.92 3kov h LYS 31 N -1.06 -0.17 -0.93 1.90 1.79 -0.93 0.32 116.57 117.49 3kov h LYS 31 Ca -0.09 0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.65 3kov h LYS 31 Cb 0.86 0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.41 3kov h LYS 31 CO 0.07 -0.11 0.40 0.00 -1.08 0.00 0.00 179.45 178.74 3kov h ALA 32 N -0.06 1.54 0.69 3.86 0.00 -0.77 0.32 119.26 124.84 3kov h ALA 32 Ca 0.09 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3kov h ALA 32 Cb 0.41 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kov h ALA 32 CO -0.61 -0.43 -0.42 -0.92 0.00 0.00 0.00 179.25 176.87 3kov h TYR 33 N 0.34 -1.11 -0.17 0.00 3.20 0.33 0.14 116.97 119.68 3kov h TYR 33 Ca 0.61 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.50 3kov h TYR 33 Cb 1.24 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.87 3kov h TYR 33 CO -0.13 -0.63 -0.05 0.93 -1.64 0.00 0.00 178.16 176.63 3kov h GLU 34 N -1.04 -0.01 -0.11 1.82 5.08 0.18 -2.00 114.58 118.50 3kov h GLU 34 Ca -0.09 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3kov h GLU 34 Cb 0.84 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 3kov h GLU 34 CO 0.09 -0.00 -0.27 1.25 -1.00 0.00 0.00 179.01 179.08 3kov h LEU 35 N -0.01 -0.83 -0.99 1.33 5.85 -0.47 0.30 115.31 120.49 3kov h LEU 35 Ca 0.08 0.13 0.31 0.00 0.84 0.00 0.00 57.88 59.24 3kov h LEU 35 Cb 0.13 0.36 -0.15 0.00 0.37 0.00 0.00 40.66 41.37 3kov h LEU 35 CO -0.18 -0.32 0.53 -1.28 -0.34 0.00 0.00 178.44 176.84 3kov h SER 36 N -0.35 0.45 0.00 1.25 0.87 -0.11 -2.35 113.55 113.30 3kov h SER 36 Ca 0.09 0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 3kov h SER 36 Cb 0.49 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3kov h SER 36 CO -0.31 -0.15 -0.61 0.58 -0.53 0.00 0.00 176.83 175.82 3kov h VAL 37 N 0.30 0.63 -0.93 2.23 2.07 -0.45 -1.61 116.25 118.49 3kov h VAL 37 Ca 0.72 -1.65 0.25 0.00 0.82 0.00 0.00 66.70 66.84 3kov h VAL 37 Cb 1.62 1.36 -0.13 0.00 -1.52 0.00 0.00 31.29 32.62 3kov h VAL 37 CO -0.62 0.21 0.42 -0.07 0.02 0.00 0.00 177.57 177.54 3kov h LEU 38 N -1.00 0.34 -2.68 2.57 3.38 -0.39 -2.88 115.31 114.64 3kov h LEU 38 Ca -0.12 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kov h LEU 38 Cb 0.79 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3kov h LEU 38 CO -0.08 -0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.40 3kov n ASP 40 N 0.18 -5.96 -4.61 0.00 2.03 -0.97 -4.99 116.55 102.24 3kov n ASP 40 Ca 0.07 -0.59 -0.26 0.00 0.52 0.00 0.00 54.79 54.53 3kov n ASP 40 Cb 0.34 -4.71 -0.08 0.00 -0.72 0.00 0.00 41.12 35.95 3kov n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kov s GLU 42 N -3.05 4.25 -0.00 0.00 2.02 -1.26 -4.49 118.70 116.16 3kov s GLU 42 Ca 0.27 0.15 0.05 0.00 0.02 0.00 0.00 54.97 55.46 3kov s GLU 42 Cb -0.08 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 3kov s GLU 42 CO 0.17 0.16 -0.15 0.42 0.02 0.00 0.00 175.26 175.88 3kov s ILE 43 N 0.69 1.21 -0.05 -1.63 1.01 -1.26 -4.99 121.20 116.17 3kov s ILE 43 Ca 0.18 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3kov s ILE 43 Cb -0.14 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.33 3kov s ILE 43 CO 0.06 0.29 -0.09 0.00 0.00 0.00 0.00 174.94 175.20 3kov s ALA 44 N -0.44 0.99 -0.09 9.38 0.00 -1.26 -0.80 121.76 129.54 3kov s ALA 44 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3kov s ALA 44 Cb -0.06 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3kov s ALA 44 CO -0.00 0.07 -0.11 -1.17 0.00 0.00 0.00 175.76 174.54 3kov s LEU 45 N 0.72 1.53 -0.11 0.00 2.96 0.40 -5.00 118.68 119.19 3kov s LEU 45 Ca -0.13 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 3kov s LEU 45 Cb -0.15 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.68 3kov s LEU 45 CO 0.02 -0.01 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.22 3kov s ILE 46 N 1.01 1.73 -0.02 6.68 1.01 -1.26 -1.33 121.20 129.01 3kov s ILE 46 Ca -0.08 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3kov s ILE 46 Cb -0.15 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 3kov s ILE 46 CO -0.01 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.62 3kov s ILE 47 N 0.75 1.38 -0.14 2.92 1.01 0.71 -5.02 121.20 122.81 3kov s ILE 47 Ca -0.11 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 3kov s ILE 47 Cb -0.16 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.18 3kov s ILE 47 CO 0.01 0.39 -0.08 -0.36 0.00 0.00 0.00 174.94 174.91 3kov s PHE 48 N -0.30 1.75 0.87 3.97 0.40 -1.26 -0.85 117.98 122.57 3kov s PHE 48 Ca 0.04 -1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 55.25 3kov s PHE 48 Cb -0.08 -1.36 0.11 0.00 0.51 0.00 0.00 43.02 42.21 3kov s PHE 48 CO -0.00 -0.59 1.10 0.54 0.70 0.00 0.00 175.22 176.96 3kov s ASN 49 N 1.62 3.77 0.62 1.36 2.20 -0.70 -4.77 114.94 119.04 3kov s ASN 49 Ca 0.03 1.33 0.21 0.00 -0.94 0.00 0.00 52.86 53.50 3kov s ASN 49 Cb -0.14 -2.02 0.80 0.00 -2.00 0.00 0.00 41.25 37.89 3kov s ASN 49 CO -0.09 -2.43 1.31 0.77 -2.94 0.00 0.00 177.10 173.72 3kov h SER 50 N -1.41 0.00 -0.61 3.54 4.64 -2.01 0.86 113.55 118.57 3kov h SER 50 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kov h SER 50 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3kov h SER 50 CO 0.57 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.33 3kov n SER 51 N -3.12 4.91 -2.04 4.97 7.64 -1.26 -4.95 113.62 119.78 3kov n SER 51 Ca 0.17 -2.58 -0.18 0.00 1.01 0.00 0.00 58.87 57.29 3kov n SER 51 Cb 1.32 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.92 3kov n SER 51 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kov n ASN 52 N 0.92 -5.18 -4.91 6.43 3.02 0.30 -5.01 115.26 110.83 3kov n ASN 52 Ca 0.26 -0.03 -0.30 0.00 -0.03 0.00 0.00 54.58 54.48 3kov n ASN 52 Cb 0.95 -4.25 -0.04 0.00 -0.61 0.00 0.00 39.78 35.83 3kov n ASN 52 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3kov s LYS 53 N -4.91 3.57 -0.10 3.52 2.20 -1.25 -4.87 119.74 117.90 3kov s LYS 53 Ca 0.01 -0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.39 3kov s LYS 53 Cb -0.00 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 3kov s LYS 53 CO 0.01 0.45 0.05 -1.17 -0.36 0.00 0.00 175.35 174.33 3kov s LEU 54 N -2.89 3.86 -0.01 5.43 2.96 -1.26 -1.72 118.68 125.05 3kov s LEU 54 Ca 0.40 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 3kov s LEU 54 Cb -0.12 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3kov s LEU 54 CO 0.27 0.38 0.01 -0.36 -1.32 0.00 0.00 176.35 175.33 3kov s PHE 55 N -0.90 0.04 -0.04 5.38 0.40 -0.03 -5.01 117.98 117.83 3kov s PHE 55 Ca 0.14 0.06 -0.05 0.00 -0.60 0.00 0.00 56.93 56.48 3kov s PHE 55 Cb -0.12 -0.14 0.01 0.00 0.51 0.00 0.00 43.02 43.28 3kov s PHE 55 CO 0.03 -0.05 0.12 1.14 0.70 0.00 0.00 175.22 177.16 3kov s GLN 56 N 0.57 0.21 0.13 0.44 -2.07 -1.26 -0.21 119.66 117.46 3kov s GLN 56 Ca -0.05 0.05 0.09 0.00 -1.82 0.00 0.00 55.36 53.63 3kov s GLN 56 Cb -0.07 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.91 3kov s GLN 56 CO -0.02 -0.03 -0.22 -0.47 -1.32 0.00 0.00 175.29 173.23 3kov s TYR 57 N -0.23 1.94 -0.16 9.60 5.04 -0.44 -4.99 117.35 128.10 3kov s TYR 57 Ca -0.03 -0.41 -0.13 0.00 -2.44 0.00 0.00 57.07 54.06 3kov s TYR 57 Cb -0.02 -1.04 0.05 0.00 0.35 0.00 0.00 41.96 41.30 3kov s TYR 57 CO 0.00 0.28 0.42 0.00 -1.34 0.00 0.00 175.55 174.92 3kov s ALA 58 N -1.34 -1.06 0.43 3.97 0.00 -1.26 -0.45 121.76 122.05 3kov s ALA 58 Ca 0.11 1.33 0.10 0.00 0.00 0.00 0.00 51.96 53.50 3kov s ALA 58 Cb -0.09 -0.79 0.93 0.00 0.00 0.00 0.00 23.12 23.17 3kov s ALA 58 CO 0.05 -0.23 2.05 0.66 0.00 0.00 0.00 175.76 178.29 3kov h SER 59 N 6.09 0.31 0.00 0.00 4.64 -1.35 -3.45 113.55 119.78 3kov h SER 59 Ca -0.31 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3kov h SER 59 Cb 1.18 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3kov h SER 59 CO 0.26 0.28 0.00 0.35 -0.87 0.00 0.00 176.83 176.84 3kov n THR 60 N -4.44 0.00 -3.54 2.95 -2.24 -1.26 -5.00 114.28 100.75 3kov n THR 60 Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 3kov n THR 60 Cb 0.12 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.28 3kov n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kov s ASP 61 N 1.00 5.87 0.18 3.42 2.15 -1.26 -4.97 116.67 123.06 3kov s ASP 61 Ca 0.00 -2.42 -0.20 0.00 0.43 0.00 0.00 52.55 50.36 3kov s ASP 61 Cb 0.00 -2.02 0.13 0.00 -0.30 0.00 0.00 42.92 40.72 3kov s ASP 61 CO 0.00 -0.56 1.60 -0.03 -0.17 0.00 0.00 175.17 176.01 3kov h MET 62 N 7.83 -0.15 -0.58 4.34 1.85 -1.92 -0.53 114.93 125.77 3kov h MET 62 Ca -0.06 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.01 3kov h MET 62 Cb 1.03 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 33.06 3kov h MET 62 CO 0.79 -0.10 0.26 -0.44 -0.40 0.00 0.00 176.91 177.03 3kov h ASP 63 N -0.15 0.74 -0.89 1.39 3.32 -1.99 0.02 116.42 118.86 3kov h ASP 63 Ca 0.23 -0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.28 3kov h ASP 63 Cb 0.51 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 3kov h ASP 63 CO -0.60 0.64 0.54 0.50 -1.72 0.00 0.00 179.24 178.60 3kov h LYS 64 N 0.82 0.90 -0.06 3.56 3.64 -1.56 -0.07 116.57 123.80 3kov h LYS 64 Ca 0.20 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3kov h LYS 64 Cb 0.11 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3kov h LYS 64 CO -0.02 0.60 -0.06 0.28 -2.27 0.00 0.00 179.45 177.97 3kov h VAL 65 N 0.93 1.37 -0.84 2.00 2.07 -0.09 -1.61 116.25 120.08 3kov h VAL 65 Ca 0.41 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.81 3kov h VAL 65 Cb 0.31 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 3kov h VAL 65 CO -0.22 0.33 0.50 -0.07 0.02 0.00 0.00 177.57 178.13 3kov h LEU 66 N -0.28 0.73 0.20 2.57 3.38 -0.76 -0.17 115.31 120.98 3kov h LEU 66 Ca 0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kov h LEU 66 Cb 0.57 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kov h LEU 66 CO 0.02 0.42 -0.14 0.25 0.09 0.00 0.00 178.44 179.08 3kov h LEU 67 N 0.84 -0.35 -0.53 1.67 5.85 -0.90 -0.65 115.31 121.24 3kov h LEU 67 Ca 0.40 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.25 3kov h LEU 67 Cb 0.33 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.36 3kov h LEU 67 CO -0.23 -0.22 -0.25 0.11 -0.34 0.00 0.00 178.44 177.51 3kov h LYS 68 N -0.34 -0.11 -0.16 1.25 1.57 -0.66 -2.40 116.57 115.72 3kov h LYS 68 Ca -0.02 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3kov h LYS 68 Cb 0.29 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 3kov h LYS 68 CO 0.01 -0.08 -0.49 -0.92 -0.57 0.00 0.00 179.45 177.41 3kov h TYR 69 N -0.12 -1.42 -0.78 -1.35 3.20 -0.16 0.23 116.97 116.58 3kov h TYR 69 Ca 0.24 0.06 0.22 0.00 3.14 0.00 0.00 58.73 62.39 3kov h TYR 69 Cb 0.50 0.64 -0.03 0.00 1.54 0.00 0.00 36.73 39.38 3kov h TYR 69 CO -0.54 -0.51 0.56 1.79 -1.64 0.00 0.00 178.16 177.82 3kov h THR 70 N -0.53 0.62 0.00 1.81 1.35 -0.66 -0.20 112.91 115.30 3kov h THR 70 Ca 0.06 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3kov h THR 70 Cb 0.65 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3kov h THR 70 CO -0.44 0.01 -0.54 -0.62 -0.25 0.00 0.00 175.52 173.68 3kov n GLU 71 N -4.32 0.21 -1.77 4.72 1.02 0.01 -4.89 120.64 115.62 3kov n GLU 71 Ca 0.16 0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.96 3kov n GLU 71 Cb 0.83 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 3kov n GLU 71 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3kov n TYR 72 N -1.96 2.88 -0.55 -0.32 9.36 -0.09 -4.92 117.16 121.56 3kov n TYR 72 Ca 0.04 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.72 3kov n TYR 72 Cb 0.41 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 3kov n TYR 72 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3kov n ASN 73 N 0.38 0.49 -4.95 2.98 4.05 -1.26 -5.06 115.26 111.88 3kov n ASN 73 Ca 0.02 -1.04 -0.23 0.00 0.45 0.00 0.00 54.58 53.78 3kov n ASN 73 Cb 0.39 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.39 3kov n ASN 73 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3kov s GLU 74 N -0.04 3.38 0.76 1.20 2.02 -1.26 -5.09 118.70 119.67 3kov s GLU 74 Ca 0.00 -0.48 -0.12 0.00 0.02 0.00 0.00 54.97 54.39 3kov s GLU 74 Cb 0.00 -2.70 0.06 0.00 0.10 0.00 0.00 34.13 31.59 3kov s GLU 74 CO 0.00 0.12 1.12 -1.25 0.02 0.00 0.00 175.26 175.27 3kov s PRO 75 N -4.29 2.15 0.06 0.39 0.04 -1.26 -5.04 135.00 127.06 3kov s PRO 75 Ca 0.41 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 3kov s PRO 75 Cb -0.10 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.66 3kov s PRO 75 CO 0.35 -1.75 0.95 -3.38 0.04 0.00 0.00 177.00 173.21 3kov s HIS 76 N -2.61 -0.23 0.07 0.56 -3.43 -1.26 -5.11 115.29 103.28 3kov s HIS 76 Ca 0.65 0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 54.62 3kov s HIS 76 Cb -0.20 0.58 -0.09 0.00 -1.43 0.00 0.00 32.58 31.44 3kov s HIS 76 CO 0.51 -0.65 1.88 -2.00 -2.00 0.00 0.00 174.74 172.49 3kov s GLU 77 N -3.15 4.14 -0.46 -0.38 2.12 -1.26 -4.92 118.70 114.79 3kov s GLU 77 Ca 0.09 2.58 0.04 0.00 0.36 0.00 0.00 54.97 58.04 3kov s GLU 77 Cb -0.01 -3.89 0.17 0.00 0.26 0.00 0.00 34.13 30.67 3kov s GLU 77 CO -0.03 -0.89 0.37 0.45 -0.54 0.00 0.00 175.26 174.61 3kov n SER 78 N 6.64 0.15 -4.88 -1.70 2.88 -1.26 -5.13 113.62 110.32 3kov n SER 78 Ca 0.19 -2.53 -0.30 0.00 -1.33 0.00 0.00 58.87 54.90 3kov n SER 78 Cb 0.40 -0.59 0.02 0.00 -0.75 0.00 0.00 64.21 63.29 3kov n SER 78 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3kov s ARG 79 N -0.24 3.35 0.29 -1.46 0.52 -1.26 -5.08 118.95 115.06 3kov s ARG 79 Ca 0.32 0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 56.04 3kov s ARG 79 Cb 0.03 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 3kov s ARG 79 CO -0.19 -0.65 0.35 -0.08 0.02 0.00 0.00 175.30 174.75 3kov s THR 80 N -3.15 0.00 0.12 0.02 -1.32 -1.26 -5.02 115.64 105.03 3kov s THR 80 Ca 0.55 -1.74 -0.21 0.00 -1.21 0.00 0.00 61.69 59.07 3kov s THR 80 Cb -0.11 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 3kov s THR 80 CO 0.51 0.00 1.69 0.78 -2.21 0.00 0.00 174.62 175.39 3kov h ASN 81 N 2.27 -0.30 -0.29 8.08 2.35 -1.99 -1.95 115.58 123.75 3kov h ASN 81 Ca -0.29 0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.59 3kov h ASN 81 Cb 1.24 0.15 -0.08 0.00 0.05 0.00 0.00 38.32 39.69 3kov h ASN 81 CO 0.41 -0.12 -0.25 0.77 -1.65 0.00 0.00 177.43 176.59 3kov h SER 82 N -0.10 -0.81 -1.10 5.81 4.64 -1.99 0.19 113.55 120.19 3kov h SER 82 Ca 0.08 0.15 0.32 0.00 -0.47 0.00 0.00 61.79 61.87 3kov h SER 82 Cb 0.22 0.39 -0.04 0.00 -0.31 0.00 0.00 62.40 62.65 3kov h SER 82 CO -0.19 -0.28 0.87 0.44 -0.87 0.00 0.00 176.83 176.80 3kov h ASP 83 N -0.24 0.00 0.00 4.97 3.45 -1.77 0.35 116.42 123.18 3kov h ASP 83 Ca 0.15 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.52 3kov h ASP 83 Cb 0.47 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 3kov h ASP 83 CO -0.42 0.00 -0.64 0.40 -1.57 0.00 0.00 179.24 177.01 3kov h ILE 84 N 0.00 0.60 -0.33 0.35 1.08 -0.18 -2.53 117.51 116.49 3kov h ILE 84 Ca 0.52 -1.64 0.07 0.00 -0.39 0.00 0.00 64.86 63.43 3kov h ILE 84 Cb 2.27 1.32 -0.08 0.00 -3.07 0.00 0.00 36.82 37.25 3kov h ILE 84 CO -0.01 0.20 -0.30 0.58 -0.69 0.00 0.00 178.15 177.93 3kov h VAL 85 N -1.00 0.27 -0.08 1.67 2.07 -0.45 0.62 116.25 119.36 3kov h VAL 85 Ca -0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3kov h VAL 85 Cb 0.80 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3kov h VAL 85 CO -0.08 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 177.10 3kov h GLU 86 N -0.27 -0.05 -1.50 1.57 5.08 -1.08 0.13 114.58 118.46 3kov h GLU 86 Ca 0.16 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.96 3kov h GLU 86 Cb 0.52 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 3kov h GLU 86 CO -0.48 -0.03 1.06 0.00 -1.00 0.00 0.00 179.01 178.55 3kov h ALA 87 N -1.05 3.28 0.24 3.43 0.00 -0.94 -0.26 119.26 123.96 3kov h ALA 87 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kov h ALA 87 Cb 0.08 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kov h ALA 87 CO -0.10 -1.76 -0.12 -0.07 0.00 0.00 0.00 179.25 177.21 3kov h LEU 88 N 0.04 -0.28 -2.00 0.00 3.38 0.96 -3.23 115.31 114.18 3kov h LEU 88 Ca 0.75 -0.22 0.32 0.00 0.09 0.00 0.00 57.88 58.83 3kov h LEU 88 Cb 2.84 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 43.61 3kov h LEU 88 CO -0.10 0.23 0.80 0.78 0.09 0.00 0.00 178.44 180.24 3kov h ASN 89 N -0.95 0.00 0.00 -0.43 2.35 0.47 0.55 115.58 117.58 3kov h ASN 89 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3kov h ASN 89 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3kov h ASN 89 CO 0.06 0.00 0.08 0.11 -1.65 0.00 0.00 177.43 176.02 3kov h LYS 90 N 0.00 0.00 -0.01 0.81 1.57 -1.45 -3.52 116.57 113.97 3kov h LYS 90 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3kov h LYS 90 Cb 2.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.44 3kov h LYS 90 CO -0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.50