#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 -0.06 -6.58 1.61 2.47 -2.13 -3.40 114.38 106.29 3kov h ARG 3 Ca 0.00 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 58.05 3kov h ARG 3 Cb 0.00 0.01 -0.18 0.00 -1.65 0.00 0.00 29.97 28.15 3kov h ARG 3 CO 0.00 -0.04 -0.77 0.15 0.56 0.00 0.00 179.97 179.87 3kov s LYS 4 N -6.13 2.05 0.47 0.04 1.02 -1.26 -5.12 119.74 110.81 3kov s LYS 4 Ca -0.14 -1.03 -0.20 0.00 0.02 0.00 0.00 55.97 54.62 3kov s LYS 4 Cb 0.19 -2.24 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 3kov s LYS 4 CO 0.73 0.52 0.99 0.21 -0.92 0.00 0.00 175.35 176.87 3kov s LYS 5 N -1.90 3.99 0.05 1.68 2.20 -1.26 -5.08 119.74 119.43 3kov s LYS 5 Ca 0.18 1.18 0.04 0.00 -0.36 0.00 0.00 55.97 57.01 3kov s LYS 5 Cb -0.11 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 3kov s LYS 5 CO 0.10 -0.24 -0.12 0.96 -0.36 0.00 0.00 175.35 175.68 3kov s ILE 6 N -2.20 0.97 -0.10 5.43 -0.00 -1.26 -5.11 121.20 118.93 3kov s ILE 6 Ca 0.63 -1.09 -0.22 0.00 -0.00 0.00 0.00 60.65 59.97 3kov s ILE 6 Cb -0.12 -0.92 -0.03 0.00 -0.00 0.00 0.00 42.46 41.39 3kov s ILE 6 CO 0.19 -0.15 0.67 -1.10 -0.00 0.00 0.00 174.94 174.56 3kov s GLN 7 N -1.39 4.37 -0.14 0.37 -1.52 -1.26 -4.99 119.66 115.11 3kov s GLN 7 Ca -0.02 0.79 -0.29 0.00 -1.95 0.00 0.00 55.36 53.89 3kov s GLN 7 Cb -0.09 -3.48 -0.06 0.00 -0.22 0.00 0.00 33.01 29.16 3kov s GLN 7 CO 0.01 -0.01 2.11 0.42 -0.25 0.00 0.00 175.29 177.58 3kov s ILE 8 N 1.07 3.05 -0.25 1.08 -1.09 -1.26 -4.86 121.20 118.94 3kov s ILE 8 Ca 0.34 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.51 3kov s ILE 8 Cb -0.17 -3.05 0.17 0.00 -1.58 0.00 0.00 42.46 37.83 3kov s ILE 8 CO 0.15 -0.02 1.26 0.42 -1.23 0.00 0.00 174.94 175.52 3kov s THR 9 N 6.98 0.00 -0.21 2.92 -4.23 -1.26 -5.11 115.64 114.73 3kov s THR 9 Ca 0.95 0.00 -0.37 0.00 -1.18 0.00 0.00 61.69 61.10 3kov s THR 9 Cb -0.35 -1.00 -0.13 0.00 1.34 0.00 0.00 72.50 72.36 3kov s THR 9 CO 0.37 0.00 1.89 -1.14 -0.54 0.00 0.00 174.62 175.20 3kov n ARG 10 N 0.49 1.61 -1.61 3.99 0.63 -1.26 -4.81 116.66 115.70 3kov n ARG 10 Ca -0.02 0.57 -0.44 0.00 -0.92 0.00 0.00 57.85 57.03 3kov n ARG 10 Cb 0.59 -2.42 -0.04 0.00 0.45 0.00 0.00 32.46 31.03 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 5.34 0.48 0.15 5.15 2.08 -1.26 -4.83 119.36 126.47 3kov n ILE 11 Ca 0.27 -0.30 0.01 0.00 0.56 0.00 0.00 62.75 63.30 3kov n ILE 11 Cb 0.22 -2.29 0.21 0.00 -0.75 0.00 0.00 39.64 37.03 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 12.68 0.00 -6.10 0.38 2.86 -2.01 -3.42 114.93 119.32 3kov h MET 12 Ca -0.43 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 56.70 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 0.54 1.27 0.34 1.06 0.00 0.00 176.91 181.07 3kov s ASP 13 N -6.64 5.55 0.63 1.22 2.15 -1.26 -4.85 116.67 113.45 3kov s ASP 13 Ca -0.00 0.14 0.19 0.00 0.43 0.00 0.00 52.55 53.30 3kov s ASP 13 Cb 0.11 -2.54 0.75 0.00 -0.30 0.00 0.00 42.92 40.94 3kov s ASP 13 CO 0.73 -2.20 1.32 -0.33 -0.17 0.00 0.00 175.17 174.52 3kov h GLU 14 N 13.48 0.00 0.00 4.34 4.39 -2.00 -0.77 114.58 134.02 3kov h GLU 14 Ca -0.27 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.28 3kov h GLU 14 Cb 1.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 3kov h GLU 14 CO 1.23 0.00 -1.13 0.54 -1.16 0.00 0.00 179.01 178.49 3kov n ARG 15 N -3.03 0.52 0.16 2.33 1.74 -1.26 -2.82 116.66 114.29 3kov n ARG 15 Ca 0.12 0.49 0.06 0.00 -0.77 0.00 0.00 57.85 57.75 3kov n ARG 15 Cb 1.18 -1.67 0.54 0.00 -1.02 0.00 0.00 32.46 31.49 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 0.18 0.51 0.55 -0.73 -1.75 0.11 115.58 113.45 3kov h ASN 16 Ca -0.24 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 57.91 3kov h ASN 16 Cb 1.03 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.57 3kov h ASN 16 CO -0.14 0.16 -0.34 -0.09 -0.37 0.00 0.00 177.43 176.65 3kov h ARG 17 N 0.21 -0.78 -0.40 6.67 2.43 -1.33 0.26 114.38 121.44 3kov h ARG 17 Ca 0.06 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3kov h ARG 17 Cb 0.02 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3kov h ARG 17 CO -0.01 -0.52 0.27 0.37 -1.51 0.00 0.00 179.97 178.57 3kov h GLN 18 N -0.81 0.44 0.12 0.20 -0.00 -0.96 0.49 115.11 114.58 3kov h GLN 18 Ca -0.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 3kov h GLN 18 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.06 3kov h GLN 18 CO 0.04 0.29 -0.06 0.28 0.00 0.00 0.00 178.83 179.38 3kov h VAL 19 N 0.45 0.91 -0.84 2.39 2.07 -0.64 -3.01 116.25 117.58 3kov h VAL 19 Ca 0.16 -1.27 0.11 0.00 0.82 0.00 0.00 66.70 66.52 3kov h VAL 19 Cb 0.09 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 3kov h VAL 19 CO -0.04 0.25 0.47 0.74 0.02 0.00 0.00 177.57 179.02 3kov h THR 20 N -0.88 0.87 -0.18 2.57 2.02 -0.13 -1.53 112.91 115.65 3kov h THR 20 Ca -0.02 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 66.95 3kov h THR 20 Cb 0.54 0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 3kov h THR 20 CO 0.03 0.14 -0.35 0.15 0.37 0.00 0.00 175.52 175.86 3kov h PHE 21 N 0.77 -0.97 -0.69 3.16 3.57 -0.97 -0.11 116.94 121.70 3kov h PHE 21 Ca 0.42 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.99 3kov h PHE 21 Cb 0.43 0.45 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 3kov h PHE 21 CO -0.06 -0.42 0.43 1.15 -2.23 0.00 0.00 178.31 177.18 3kov h THR 22 N -0.39 1.10 0.56 4.41 2.02 -1.17 0.15 112.91 119.59 3kov h THR 22 Ca 0.11 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3kov h THR 22 Cb 0.57 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3kov h THR 22 CO -0.40 0.15 -0.27 0.11 0.37 0.00 0.00 175.52 175.49 3kov h LYS 23 N 0.85 -0.72 -0.52 6.66 1.57 -0.83 -3.11 116.57 120.47 3kov h LYS 23 Ca 0.27 0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 59.02 3kov h LYS 23 Cb 0.01 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3kov h LYS 23 CO -0.10 -0.41 -0.01 0.00 -0.57 0.00 0.00 179.45 178.36 3kov h ARG 24 N -1.01 0.88 -1.00 3.15 3.08 -0.99 -2.17 114.38 116.33 3kov h ARG 24 Ca -0.08 -0.25 0.20 0.00 0.07 0.00 0.00 59.98 59.92 3kov h ARG 24 Cb 0.64 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.49 3kov h ARG 24 CO 0.13 0.88 0.61 -0.22 -1.07 0.00 0.00 179.97 180.30 3kov h LYS 25 N 0.82 0.71 -0.28 0.04 3.64 -1.01 0.48 116.57 120.96 3kov h LYS 25 Ca 0.15 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 3kov h LYS 25 Cb 0.49 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3kov h LYS 25 CO 0.02 0.47 -0.48 0.35 -2.27 0.00 0.00 179.45 177.54 3kov h PHE 26 N 0.73 1.02 -0.19 1.91 3.57 -1.33 -1.68 116.94 120.98 3kov h PHE 26 Ca 0.59 -0.36 0.03 0.00 3.53 0.00 0.00 57.97 61.76 3kov h PHE 26 Cb 0.95 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3kov h PHE 26 CO -0.00 1.17 0.01 0.78 -2.23 0.00 0.00 178.31 178.04 3kov h GLY 27 N 0.58 0.19 0.07 2.40 0.00 -0.46 0.15 103.07 106.00 3kov h GLY 27 Ca 0.02 0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.41 3kov h GLY 27 CO 0.11 -0.02 -0.33 -2.00 0.00 0.00 0.00 176.54 174.29 3kov h LEU 28 N 0.08 -1.05 -1.15 3.11 5.85 -0.06 -0.03 115.31 122.06 3kov h LEU 28 Ca 0.09 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3kov h LEU 28 Cb 0.10 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3kov h LEU 28 CO -0.14 -0.36 0.36 0.24 -0.34 0.00 0.00 178.44 178.21 3kov h MET 29 N -0.38 0.96 0.25 1.25 2.86 -0.80 -0.89 114.93 118.18 3kov h MET 29 Ca 0.11 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3kov h MET 29 Cb 0.55 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3kov h MET 29 CO -0.40 0.71 -0.12 -0.22 1.06 0.00 0.00 176.91 177.95 3kov h LYS 30 N 0.96 -0.33 -0.01 1.72 3.64 0.33 0.25 116.57 123.13 3kov h LYS 30 Ca 0.24 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3kov h LYS 30 Cb 0.05 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 3kov h LYS 30 CO -0.04 -0.19 -0.53 0.87 -2.27 0.00 0.00 179.45 177.30 3kov h LYS 31 N -0.38 -0.64 -0.83 1.90 1.79 -0.74 0.20 116.57 117.87 3kov h LYS 31 Ca -0.03 0.04 0.21 0.00 -2.18 0.00 0.00 60.65 58.69 3kov h LYS 31 Cb 0.29 0.15 -0.14 0.00 -1.58 0.00 0.00 32.23 30.95 3kov h LYS 31 CO 0.06 -0.43 0.12 0.00 -1.08 0.00 0.00 179.45 178.12 3kov h ALA 32 N -0.38 1.05 0.12 3.86 0.00 -0.88 0.35 119.26 123.37 3kov h ALA 32 Ca 0.02 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3kov h ALA 32 Cb 0.72 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3kov h ALA 32 CO -0.37 -0.45 -0.36 -0.92 0.00 0.00 0.00 179.25 177.15 3kov h TYR 33 N 0.15 -1.00 -0.57 0.00 3.20 0.82 0.72 116.97 120.29 3kov h TYR 33 Ca 0.49 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.35 3kov h TYR 33 Cb 0.94 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 3kov h TYR 33 CO -0.35 -0.47 0.20 0.93 -1.64 0.00 0.00 178.16 176.83 3kov h GLU 34 N -0.59 0.87 0.15 1.82 5.08 0.15 -1.95 114.58 120.11 3kov h GLU 34 Ca 0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3kov h GLU 34 Cb 0.62 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kov h GLU 34 CO -0.21 0.78 -0.08 1.25 -1.00 0.00 0.00 179.01 179.74 3kov h LEU 35 N 0.79 -0.20 -0.94 1.33 5.85 -0.46 0.24 115.31 121.94 3kov h LEU 35 Ca 0.19 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.20 3kov h LEU 35 Cb 0.26 0.05 -0.16 0.00 0.37 0.00 0.00 40.66 41.18 3kov h LEU 35 CO -0.01 -0.13 0.29 -1.28 -0.34 0.00 0.00 178.44 176.96 3kov h SER 36 N -0.22 0.03 0.00 1.25 0.87 -0.47 -2.16 113.55 112.85 3kov h SER 36 Ca -0.02 0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 3kov h SER 36 Cb 0.17 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3kov h SER 36 CO 0.03 -0.23 -0.59 0.58 -0.53 0.00 0.00 176.83 176.09 3kov h VAL 37 N 0.16 0.98 -0.88 2.23 2.07 -0.59 -1.94 116.25 118.28 3kov h VAL 37 Ca 0.63 -1.94 0.18 0.00 0.82 0.00 0.00 66.70 66.39 3kov h VAL 37 Cb 1.38 2.06 -0.11 0.00 -1.52 0.00 0.00 31.29 33.11 3kov h VAL 37 CO -0.72 0.33 0.43 -0.07 0.02 0.00 0.00 177.57 177.57 3kov h LEU 38 N -1.00 0.47 -2.84 2.57 3.38 -0.46 -3.01 115.31 114.42 3kov h LEU 38 Ca -0.14 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kov h LEU 38 Cb 0.94 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3kov h LEU 38 CO -0.09 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3kov n ASP 40 N 0.35 -5.06 -4.61 0.00 2.03 -0.97 -4.99 116.55 103.30 3kov n ASP 40 Ca 0.09 -0.66 -0.25 0.00 0.52 0.00 0.00 54.79 54.49 3kov n ASP 40 Cb 0.39 -4.53 -0.08 0.00 -0.72 0.00 0.00 41.12 36.18 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 -3.19 4.19 -0.02 0.00 2.02 -1.26 -4.51 118.70 115.93 3kov s GLU 42 Ca 0.28 0.02 0.05 0.00 0.02 0.00 0.00 54.97 55.34 3kov s GLU 42 Cb -0.08 -3.48 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 3kov s GLU 42 CO 0.17 0.12 -0.16 0.42 0.02 0.00 0.00 175.26 175.83 3kov s ILE 43 N 0.85 1.27 -0.05 -1.63 1.01 -1.26 -4.99 121.20 116.39 3kov s ILE 43 Ca 0.15 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3kov s ILE 43 Cb -0.13 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.29 3kov s ILE 43 CO 0.05 0.36 -0.09 0.00 0.00 0.00 0.00 174.94 175.26 3kov s ALA 44 N -0.30 0.99 -0.08 9.38 0.00 -1.26 -0.62 121.76 129.87 3kov s ALA 44 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3kov s ALA 44 Cb -0.07 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3kov s ALA 44 CO -0.00 0.07 -0.10 -1.17 0.00 0.00 0.00 175.76 174.56 3kov s LEU 45 N 0.70 1.45 -0.11 0.00 2.96 0.27 -5.00 118.68 118.95 3kov s LEU 45 Ca -0.12 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3kov s LEU 45 Cb -0.15 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.76 3kov s LEU 45 CO 0.02 -0.03 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.23 3kov s ILE 46 N 1.05 1.61 -0.02 6.68 1.01 -1.26 -1.25 121.20 129.02 3kov s ILE 46 Ca -0.07 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 59.91 3kov s ILE 46 Cb -0.15 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 3kov s ILE 46 CO -0.01 0.46 -0.18 -0.63 0.00 0.00 0.00 174.94 174.59 3kov s ILE 47 N 0.91 1.40 -0.15 2.92 1.01 0.89 -5.01 121.20 123.16 3kov s ILE 47 Ca -0.08 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 3kov s ILE 47 Cb -0.15 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.18 3kov s ILE 47 CO -0.01 0.40 -0.09 -0.36 0.00 0.00 0.00 174.94 174.87 3kov s PHE 48 N -0.32 1.88 0.89 3.97 0.40 -1.26 -0.84 117.98 122.70 3kov s PHE 48 Ca 0.05 -1.09 -0.12 0.00 -0.60 0.00 0.00 56.93 55.16 3kov s PHE 48 Cb -0.08 -1.42 0.12 0.00 0.51 0.00 0.00 43.02 42.15 3kov s PHE 48 CO -0.00 -0.62 1.10 0.54 0.70 0.00 0.00 175.22 176.94 3kov s ASN 49 N 1.58 3.63 0.57 1.36 2.20 -0.66 -4.77 114.94 118.84 3kov s ASN 49 Ca 0.03 1.26 0.46 0.00 -0.94 0.00 0.00 52.86 53.67 3kov s ASN 49 Cb -0.14 -1.93 1.59 0.00 -2.00 0.00 0.00 41.25 38.77 3kov s ASN 49 CO -0.09 -2.51 1.52 0.77 -2.94 0.00 0.00 177.10 173.85 3kov h SER 50 N -1.46 0.00 -0.59 3.54 4.64 -2.01 0.77 113.55 118.44 3kov h SER 50 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3kov h SER 50 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3kov h SER 50 CO 0.58 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.34 3kov n SER 51 N -3.81 4.76 -2.39 4.97 7.64 -1.26 -4.93 113.62 118.60 3kov n SER 51 Ca 0.41 -2.54 -0.19 0.00 1.01 0.00 0.00 58.87 57.55 3kov n SER 51 Cb 1.93 -0.59 0.01 0.00 -1.01 0.00 0.00 64.21 64.55 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 0.93 -5.54 -4.91 6.43 3.02 0.27 -5.01 115.26 110.46 3kov n ASN 52 Ca 0.25 -0.12 -0.31 0.00 -0.03 0.00 0.00 54.58 54.36 3kov n ASN 52 Cb 0.92 -4.49 -0.04 0.00 -0.61 0.00 0.00 39.78 35.56 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 -5.21 3.51 -0.11 3.52 2.20 -1.25 -4.87 119.74 117.52 3kov s LYS 53 Ca 0.12 -0.29 -0.05 0.00 -0.36 0.00 0.00 55.97 55.38 3kov s LYS 53 Cb -0.05 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 3kov s LYS 53 CO 0.15 0.56 0.09 -1.17 -0.36 0.00 0.00 175.35 174.61 3kov s LEU 54 N -2.54 4.08 -0.01 5.43 2.96 -1.26 -1.66 118.68 125.68 3kov s LEU 54 Ca 0.37 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 3kov s LEU 54 Cb -0.13 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.60 3kov s LEU 54 CO 0.26 0.39 0.01 -0.36 -1.32 0.00 0.00 176.35 175.33 3kov s PHE 55 N -0.91 0.09 -0.02 5.38 0.40 -0.02 -5.01 117.98 117.89 3kov s PHE 55 Ca 0.14 0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.48 3kov s PHE 55 Cb -0.12 -0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.24 3kov s PHE 55 CO 0.03 -0.06 0.08 1.14 0.70 0.00 0.00 175.22 177.11 3kov s GLN 56 N 0.59 0.17 0.14 0.44 -2.07 -1.26 -0.08 119.66 117.59 3kov s GLN 56 Ca -0.05 -0.02 0.10 0.00 -1.82 0.00 0.00 55.36 53.57 3kov s GLN 56 Cb -0.08 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 3kov s GLN 56 CO -0.01 -0.03 -0.23 -0.47 -1.32 0.00 0.00 175.29 173.23 3kov s TYR 57 N -0.28 2.07 -0.17 9.60 5.04 -0.38 -5.00 117.35 128.22 3kov s TYR 57 Ca -0.03 -0.40 -0.13 0.00 -2.44 0.00 0.00 57.07 54.06 3kov s TYR 57 Cb -0.02 -1.09 0.05 0.00 0.35 0.00 0.00 41.96 41.25 3kov s TYR 57 CO 0.00 0.33 0.45 0.00 -1.34 0.00 0.00 175.55 174.99 3kov s ALA 58 N -1.37 -1.12 0.38 3.97 0.00 -1.26 -0.57 121.76 121.79 3kov s ALA 58 Ca 0.13 1.42 0.06 0.00 0.00 0.00 0.00 51.96 53.58 3kov s ALA 58 Cb -0.09 -0.84 0.77 0.00 0.00 0.00 0.00 23.12 22.96 3kov s ALA 58 CO 0.06 -0.24 1.99 0.66 0.00 0.00 0.00 175.76 178.23 3kov h SER 59 N 6.15 0.45 0.00 0.00 4.64 -1.25 -3.46 113.55 120.09 3kov h SER 59 Ca -0.31 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3kov h SER 59 Cb 1.18 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3kov h SER 59 CO 0.25 0.42 0.00 0.35 -0.87 0.00 0.00 176.83 176.97 3kov n THR 60 N -4.39 0.00 -2.38 2.95 -2.24 -1.26 -5.00 114.28 101.95 3kov n THR 60 Ca 0.02 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 3kov n THR 60 Cb 0.14 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 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 1.02 5.89 0.19 3.42 -1.08 -1.26 -4.89 116.67 119.96 3kov s ASP 61 Ca 0.00 -0.33 -0.16 0.00 -0.52 0.00 0.00 52.55 51.54 3kov s ASP 61 Cb 0.00 -2.55 0.16 0.00 -1.46 0.00 0.00 42.92 39.07 3kov s ASP 61 CO 0.00 -2.01 1.64 -0.03 0.52 0.00 0.00 175.17 175.30 3kov h MET 62 N 11.48 -0.02 -0.28 4.34 1.85 -1.93 -0.88 114.93 129.48 3kov h MET 62 Ca -0.21 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.80 3kov h MET 62 Cb 1.08 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.10 3kov h MET 62 CO 1.27 -0.02 -0.15 -0.44 -0.40 0.00 0.00 176.91 177.18 3kov h ASP 63 N -0.03 0.48 -0.75 1.39 3.32 -1.99 0.11 116.42 118.95 3kov h ASP 63 Ca 0.24 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.23 3kov h ASP 63 Cb 0.40 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 3kov h ASP 63 CO -0.54 0.65 0.43 0.50 -1.72 0.00 0.00 179.24 178.56 3kov h LYS 64 N 0.45 0.74 -0.08 3.56 3.64 -1.60 -0.11 116.57 123.18 3kov h LYS 64 Ca 0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3kov h LYS 64 Cb 0.52 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3kov h LYS 64 CO 0.03 0.49 -0.03 0.28 -2.27 0.00 0.00 179.45 177.96 3kov h VAL 65 N 0.77 1.31 -0.95 2.00 2.07 -0.31 -1.85 116.25 119.29 3kov h VAL 65 Ca 0.34 -1.00 0.10 0.00 0.82 0.00 0.00 66.70 66.96 3kov h VAL 65 Cb 0.23 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 3kov h VAL 65 CO -0.20 0.28 0.59 -0.07 0.02 0.00 0.00 177.57 178.19 3kov h LEU 66 N -0.20 0.89 0.49 2.57 3.38 -0.76 0.00 115.31 121.67 3kov h LEU 66 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kov h LEU 66 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kov h LEU 66 CO 0.01 0.51 -0.24 0.25 0.09 0.00 0.00 178.44 179.06 3kov h LEU 67 N 0.99 -0.58 -0.67 1.67 5.85 -0.90 -1.03 115.31 120.64 3kov h LEU 67 Ca 0.45 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.31 3kov h LEU 67 Cb 0.36 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.42 3kov h LEU 67 CO -0.23 -0.41 -0.33 0.11 -0.34 0.00 0.00 178.44 177.24 3kov h LYS 68 N -0.67 -0.12 -0.26 1.25 1.57 -0.68 -2.15 116.57 115.52 3kov h LYS 68 Ca -0.06 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3kov h LYS 68 Cb 0.52 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 3kov h LYS 68 CO 0.10 -0.08 -0.52 -0.92 -0.57 0.00 0.00 179.45 177.46 3kov h TYR 69 N -0.12 -1.55 -0.61 -1.35 3.20 -0.41 -0.66 116.97 115.46 3kov h TYR 69 Ca 0.26 0.07 0.15 0.00 3.14 0.00 0.00 58.73 62.35 3kov h TYR 69 Cb 0.56 0.71 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 3kov h TYR 69 CO -0.67 -0.51 0.42 1.79 -1.64 0.00 0.00 178.16 177.55 3kov h THR 70 N -0.48 0.75 0.00 1.81 1.35 -0.58 -0.30 112.91 115.45 3kov h THR 70 Ca 0.06 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3kov h THR 70 Cb 0.64 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3kov h THR 70 CO -0.50 0.02 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.18 3kov h GLU 71 N 0.13 0.00 -6.83 4.72 5.08 -0.65 -3.46 114.58 113.56 3kov h GLU 71 Ca 0.29 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.10 3kov h GLU 71 Cb 0.97 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.33 3kov h GLU 71 CO -0.04 0.00 0.67 0.98 -1.00 0.00 0.00 179.01 179.62 3kov n TYR 72 N -2.39 2.66 -0.58 4.33 9.36 -0.13 -4.92 117.16 125.49 3kov n TYR 72 Ca 0.04 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.74 3kov n TYR 72 Cb 0.46 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 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 0.77 0.45 -4.95 2.98 4.05 -1.26 -5.06 115.26 112.24 3kov n ASN 73 Ca 0.04 -1.03 -0.23 0.00 0.45 0.00 0.00 54.58 53.80 3kov n ASN 73 Cb 0.37 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.38 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 -0.03 3.34 0.81 1.20 2.02 -1.26 -5.10 118.70 119.69 3kov s GLU 74 Ca 0.00 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 54.46 3kov s GLU 74 Cb 0.00 -2.64 0.08 0.00 0.10 0.00 0.00 34.13 31.67 3kov s GLU 74 CO 0.00 0.03 1.12 -1.25 0.02 0.00 0.00 175.26 175.18 3kov s PRO 75 N -4.37 1.87 0.04 0.39 0.04 -1.26 -5.04 135.00 126.66 3kov s PRO 75 Ca 0.43 1.35 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 3kov s PRO 75 Cb -0.10 -1.84 0.09 0.00 0.04 0.00 0.00 34.50 32.69 3kov s PRO 75 CO 0.36 -1.96 0.99 -3.38 0.04 0.00 0.00 177.00 173.05 3kov s HIS 76 N -2.73 -0.21 0.07 0.56 -3.43 -1.26 -5.11 115.29 103.18 3kov s HIS 76 Ca 0.64 0.01 -0.31 0.00 -0.80 0.00 0.00 55.06 54.61 3kov s HIS 76 Cb -0.20 0.58 -0.10 0.00 -1.43 0.00 0.00 32.58 31.43 3kov s HIS 76 CO 0.55 -0.60 1.92 -1.91 -2.00 0.00 0.00 174.74 172.69 3kov n GLU 77 N -0.35 2.83 -3.45 -0.38 2.13 -1.26 -4.92 120.64 115.23 3kov n GLU 77 Ca -0.07 1.03 -0.27 0.00 0.66 0.00 0.00 57.16 58.51 3kov n GLU 77 Cb 0.61 -2.96 -0.10 0.00 0.27 0.00 0.00 31.44 29.25 3kov n GLU 77 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3kov s SER 78 N 3.71 1.90 0.59 4.31 0.15 -1.26 -5.13 113.70 117.98 3kov s SER 78 Ca 0.86 -3.09 -0.09 0.00 0.70 0.00 0.00 55.95 54.33 3kov s SER 78 Cb -0.46 -0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 63.25 3kov s SER 78 CO 0.40 -0.17 0.96 -0.13 1.20 0.00 0.00 173.24 175.50 3kov s ARG 79 N -0.03 3.52 0.29 5.44 0.52 -1.26 -5.08 118.95 122.35 3kov s ARG 79 Ca 0.31 0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 56.06 3kov s ARG 79 Cb 0.01 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.30 3kov s ARG 79 CO -0.18 -0.50 0.35 -0.08 0.02 0.00 0.00 175.30 174.91 3kov s THR 80 N -3.06 0.00 0.12 0.02 -1.32 -1.26 -5.02 115.64 105.11 3kov s THR 80 Ca 0.53 -1.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.04 3kov s THR 80 Cb -0.11 -2.51 -0.06 0.00 -1.51 0.00 0.00 72.50 68.32 3kov s THR 80 CO 0.51 0.00 1.68 0.78 -2.21 0.00 0.00 174.62 175.38 3kov h ASN 81 N 2.26 -0.37 -0.28 8.08 2.35 -1.99 -2.18 115.58 123.44 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 0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.70 3kov h ASN 81 CO 0.41 -0.17 -0.30 0.77 -1.65 0.00 0.00 177.43 176.49 3kov h SER 82 N -0.18 -0.97 -1.25 5.81 4.64 -1.99 0.24 113.55 119.85 3kov h SER 82 Ca 0.06 0.16 0.36 0.00 -0.47 0.00 0.00 61.79 61.91 3kov h SER 82 Cb 0.27 0.44 -0.05 0.00 -0.31 0.00 0.00 62.40 62.75 3kov h SER 82 CO -0.17 -0.32 0.96 0.44 -0.87 0.00 0.00 176.83 176.88 3kov h ASP 83 N -0.29 0.00 0.00 4.97 3.45 -1.81 0.10 116.42 122.84 3kov h ASP 83 Ca 0.14 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.50 3kov h ASP 83 Cb 0.52 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 3kov h ASP 83 CO -0.45 0.00 -0.71 0.40 -1.57 0.00 0.00 179.24 176.91 3kov h ILE 84 N 0.00 0.67 -0.37 0.35 1.08 -0.15 -2.42 117.51 116.67 3kov h ILE 84 Ca 0.59 -1.72 0.07 0.00 -0.39 0.00 0.00 64.86 63.41 3kov h ILE 84 Cb 2.51 1.49 -0.09 0.00 -3.07 0.00 0.00 36.82 37.66 3kov h ILE 84 CO -0.01 0.23 -0.34 0.58 -0.69 0.00 0.00 178.15 177.92 3kov h VAL 85 N -1.00 0.22 -0.47 1.67 2.07 -0.40 0.76 116.25 119.10 3kov h VAL 85 Ca -0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.44 3kov h VAL 85 Cb 0.88 0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 3kov h VAL 85 CO -0.09 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 176.73 3kov h GLU 86 N -0.28 -0.28 -0.41 1.57 5.08 -1.13 0.21 114.58 119.33 3kov h GLU 86 Ca 0.16 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 3kov h GLU 86 Cb 0.55 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3kov h GLU 86 CO -0.52 -0.19 0.29 0.00 -1.00 0.00 0.00 179.01 177.59 3kov h ALA 87 N 0.49 2.30 0.30 3.43 0.00 -0.80 -2.36 119.26 122.62 3kov h ALA 87 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kov h ALA 87 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kov h ALA 87 CO -0.62 -0.41 -0.15 -0.07 0.00 0.00 0.00 179.25 178.01 3kov h LEU 88 N 0.07 -0.34 -1.95 0.00 3.38 0.10 -3.19 115.31 113.38 3kov h LEU 88 Ca 0.19 -0.16 0.31 0.00 0.09 0.00 0.00 57.88 58.31 3kov h LEU 88 Cb 0.69 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3kov h LEU 88 CO -0.01 0.13 0.81 0.78 0.09 0.00 0.00 178.44 180.24 3kov h ASN 89 N -0.98 0.00 0.00 -0.43 2.35 -0.70 0.63 115.58 116.45 3kov h ASN 89 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3kov h ASN 89 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3kov h ASN 89 CO 0.07 0.00 0.05 0.11 -1.65 0.00 0.00 177.43 176.01 3kov h LYS 90 N 0.00 0.00 -0.01 0.81 1.57 -1.42 -3.52 116.57 114.00 3kov h LYS 90 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 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