#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h92 h THR 8 N 0.00 0.78 -0.35 2.62 1.03 -2.05 -1.18 112.91 113.76 3h92 h THR 8 Ca 0.00 -0.28 0.07 0.00 -0.01 0.00 0.00 66.41 66.19 3h92 h THR 8 Cb 0.00 0.94 -0.09 0.00 -1.07 0.00 0.00 68.15 67.93 3h92 h THR 8 CO 0.00 0.06 -0.32 0.11 -0.01 0.00 0.00 175.52 175.36 3h92 h LYS 9 N -0.50 -0.27 -0.02 0.00 1.57 -2.05 -0.32 116.57 114.99 3h92 h LYS 9 Ca -0.04 0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 3h92 h LYS 9 Cb 0.37 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3h92 h LYS 9 CO 0.06 -0.18 -0.77 1.25 -0.57 0.00 0.00 179.45 179.24 3h92 h LEU 10 N -0.28 0.21 -0.45 2.94 7.12 -1.94 -2.72 115.31 120.18 3h92 h LEU 10 Ca 0.16 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.02 3h92 h LEU 10 Cb 0.54 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 3h92 h LEU 10 CO -0.50 0.90 0.00 -0.33 -0.13 0.00 0.00 178.44 178.37 3h92 h GLU 11 N 0.11 0.00 0.50 1.25 4.39 -0.96 0.13 114.58 120.00 3h92 h GLU 11 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3h92 h GLU 11 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3h92 h GLU 11 CO 0.11 0.00 -0.24 1.49 -1.16 0.00 0.00 179.01 179.21 3h92 h GLU 12 N 0.00 -0.65 0.00 2.33 4.57 -0.74 0.58 114.58 120.67 3h92 h GLU 12 Ca 0.00 0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 3h92 h GLU 12 Cb 0.70 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 3h92 h GLU 12 CO 0.00 -0.40 -0.51 1.49 -1.18 0.00 0.00 179.01 178.42 3h92 h GLU 13 N -0.75 0.00 -0.39 1.92 4.57 -1.47 0.48 114.58 118.94 3h92 h GLU 13 Ca -0.07 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 3h92 h GLU 13 Cb 0.55 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3h92 h GLU 13 CO 0.11 0.51 0.01 -0.09 -1.18 0.00 0.00 179.01 178.37 3h92 h ARG 14 N 0.00 0.68 -0.04 1.92 9.65 -0.73 -0.66 114.38 125.22 3h92 h ARG 14 Ca -0.01 -0.21 -0.09 0.00 -1.10 0.00 0.00 59.98 58.57 3h92 h ARG 14 Cb 1.07 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 3h92 h ARG 14 CO 0.07 0.77 -0.41 -0.91 2.80 0.00 0.00 179.97 182.28 3h92 h ASN 15 N 0.51 0.08 0.15 -3.80 2.35 0.58 0.32 115.58 115.77 3h92 h ASN 15 Ca 0.11 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3h92 h ASN 15 Cb 0.46 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3h92 h ASN 15 CO 0.02 0.49 -0.07 -0.74 -1.65 0.00 0.00 177.43 175.47 3h92 h HIS 16 N 0.06 -0.19 -0.10 1.19 2.76 0.08 0.15 115.15 119.09 3h92 h HIS 16 Ca 0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3h92 h HIS 16 Cb 0.76 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 3h92 h HIS 16 CO 0.00 -0.10 0.00 1.25 -1.30 0.00 0.00 177.93 177.79 3h92 h LEU 17 N -0.22 0.18 -0.62 0.26 6.46 -0.93 -0.78 115.31 119.65 3h92 h LEU 17 Ca -0.02 -0.30 0.12 0.00 -0.12 0.00 0.00 57.88 57.56 3h92 h LEU 17 Cb 0.17 -0.05 -0.12 0.00 -0.73 0.00 0.00 40.66 39.94 3h92 h LEU 17 CO 0.03 0.44 -0.21 -0.33 -0.62 0.00 0.00 178.44 177.76 3h92 h GLU 18 N -0.09 -0.05 -0.39 1.25 5.08 -0.37 0.17 114.58 120.18 3h92 h GLU 18 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3h92 h GLU 18 Cb 0.35 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3h92 h GLU 18 CO 0.00 -0.03 0.12 1.49 -1.00 0.00 0.00 179.01 179.59 3h92 h GLU 19 N -0.05 0.62 -0.48 2.33 4.81 -0.45 -1.35 114.58 120.00 3h92 h GLU 19 Ca 0.29 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3h92 h GLU 19 Cb 0.50 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3h92 h GLU 19 CO -0.66 0.62 0.30 1.25 -0.73 0.00 0.00 179.01 179.79 3h92 h LEU 20 N 0.49 0.56 -1.03 1.64 6.46 -0.78 -1.07 115.31 121.58 3h92 h LEU 20 Ca 0.13 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3h92 h LEU 20 Cb 0.27 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3h92 h LEU 20 CO -0.00 0.43 0.25 -0.07 -0.62 0.00 0.00 178.44 178.43 3h92 h LEU 21 N 0.64 0.86 -0.22 2.25 3.38 -0.40 -0.98 115.31 120.85 3h92 h LEU 21 Ca 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h92 h LEU 21 Cb -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3h92 h LEU 21 CO -0.03 0.78 0.12 -0.08 0.09 0.00 0.00 178.44 179.31 3h92 h GLU 22 N 0.93 0.31 -0.82 1.13 4.81 -0.79 -1.42 114.58 118.72 3h92 h GLU 22 Ca 0.22 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 3h92 h GLU 22 Cb 0.19 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 3h92 h GLU 22 CO -0.02 0.29 0.48 0.87 -0.73 0.00 0.00 179.01 179.90 3h92 h LYS 23 N 0.24 0.81 -0.21 1.92 1.79 -0.85 -1.26 116.57 119.01 3h92 h LYS 23 Ca 0.08 -0.05 -0.15 0.00 -2.18 0.00 0.00 60.65 58.34 3h92 h LYS 23 Cb 0.08 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3h92 h LYS 23 CO -0.01 0.53 -0.50 0.28 -1.08 0.00 0.00 179.45 178.67 3h92 h VAL 24 N 0.83 1.31 0.05 0.50 2.07 -0.89 0.26 116.25 120.38 3h92 h VAL 24 Ca 0.38 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 3h92 h VAL 24 Cb 0.30 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3h92 h VAL 24 CO -0.22 0.54 -0.02 -0.08 0.02 0.00 0.00 177.57 177.81 3h92 h GLU 25 N 0.46 -0.06 0.02 1.57 4.81 -0.77 -3.34 114.58 117.27 3h92 h GLU 25 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3h92 h GLU 25 Cb 1.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3h92 h GLU 25 CO 0.10 0.53 -0.01 0.93 -0.73 0.00 0.00 179.01 179.82 3h92 h GLU 26 N -0.73 -0.03 0.00 1.92 4.39 -1.28 -3.43 114.58 115.41 3h92 h GLU 26 Ca -0.01 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.35 3h92 h GLU 26 Cb 0.62 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 3h92 h GLU 26 CO 0.01 0.69 -2.18 -0.25 -1.16 0.00 0.00 179.01 176.12 3h92 n ASP 27 N -4.73 1.83 -4.54 1.42 8.00 0.69 -4.75 116.55 114.48 3h92 n ASP 27 Ca -0.09 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.14 3h92 n ASP 27 Cb 0.36 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 3h92 n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h92 s TYR 28 N -2.40 2.33 0.41 1.24 4.12 0.04 -4.80 117.35 118.28 3h92 s TYR 28 Ca -0.29 -0.12 0.13 0.00 0.02 0.00 0.00 57.07 56.81 3h92 s TYR 28 Cb 0.10 -4.60 0.85 0.00 -1.52 0.00 0.00 41.96 36.80 3h92 s TYR 28 CO 0.41 -2.03 1.91 1.49 0.02 0.00 0.00 175.55 177.35 3h92 h GLU 29 N 9.98 0.05 0.00 -0.62 4.81 -1.85 -3.04 114.58 123.90 3h92 h GLU 29 Ca -0.27 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3h92 h GLU 29 Cb 1.05 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3h92 h GLU 29 CO 1.27 0.29 -0.11 0.78 -0.73 0.00 0.00 179.01 180.51 3h92 h GLY 30 N 0.79 0.00 -6.02 1.92 0.00 -1.94 -3.43 103.07 94.39 3h92 h GLY 30 Ca 0.01 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.67 3h92 h GLY 30 CO 0.03 0.00 -0.85 -0.42 0.00 0.00 0.00 176.54 175.31 3h92 s ILE 31 N -3.76 2.23 -0.23 2.60 -1.09 -1.15 -5.07 121.20 114.73 3h92 s ILE 31 Ca 0.00 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.23 3h92 s ILE 31 Cb 0.10 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 3h92 s ILE 31 CO 0.58 0.53 1.17 0.21 -1.23 0.00 0.00 174.94 176.21 3h92 s ASN 32 N 1.14 6.95 0.23 3.58 2.47 -1.26 -4.81 114.94 123.24 3h92 s ASN 32 Ca 0.01 1.43 -0.13 0.00 0.42 0.00 0.00 52.86 54.59 3h92 s ASN 32 Cb -0.14 -2.54 0.30 0.00 -1.45 0.00 0.00 41.25 37.42 3h92 s ASN 32 CO -0.08 -0.80 1.59 0.22 -3.72 0.00 0.00 177.10 174.31 3h92 h TYR 33 N 8.13 -0.59 0.00 0.43 5.03 -1.89 -1.01 116.97 127.07 3h92 h TYR 33 Ca -0.23 0.08 -0.06 0.00 2.58 0.00 0.00 58.73 61.10 3h92 h TYR 33 Cb 1.08 0.38 -0.01 0.00 1.55 0.00 0.00 36.73 39.74 3h92 h TYR 33 CO 0.80 -0.36 -0.27 -0.44 -1.32 0.00 0.00 178.16 176.57 3h92 h ASP 34 N -0.03 0.00 0.48 -2.11 3.32 -1.96 0.87 116.42 116.99 3h92 h ASP 34 Ca 0.36 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.13 3h92 h ASP 34 Cb 0.59 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.15 3h92 h ASP 34 CO -0.83 0.27 -1.22 -0.33 -1.72 0.00 0.00 179.24 175.41 3h92 h GLU 35 N 0.00 0.37 -0.36 3.56 5.08 -1.89 -1.97 114.58 119.36 3h92 h GLU 35 Ca -0.00 -0.56 0.01 0.00 -1.00 0.00 0.00 59.36 57.80 3h92 h GLU 35 Cb 0.54 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3h92 h GLU 35 CO 0.04 1.25 0.22 0.28 -1.00 0.00 0.00 179.01 179.80 3h92 h VAL 36 N 0.13 1.06 -0.31 3.13 2.07 -0.74 -0.75 116.25 120.85 3h92 h VAL 36 Ca -0.15 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3h92 h VAL 36 Cb 1.92 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3h92 h VAL 36 CO 0.21 0.08 0.15 -0.07 0.02 0.00 0.00 177.57 177.96 3h92 h LEU 37 N 0.46 0.22 -0.57 2.57 3.38 -0.80 -1.24 115.31 119.33 3h92 h LEU 37 Ca 0.14 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3h92 h LEU 37 Cb -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3h92 h LEU 37 CO -0.05 0.16 0.09 -0.33 0.09 0.00 0.00 178.44 178.40 3h92 h GLU 38 N 0.31 0.94 0.08 1.13 4.39 -1.29 -0.99 114.58 119.15 3h92 h GLU 38 Ca 0.13 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3h92 h GLU 38 Cb 0.05 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 3h92 h GLU 38 CO -0.09 0.90 -0.51 0.00 -1.16 0.00 0.00 179.01 178.15 3h92 h ALA 39 N 1.00 -0.97 0.00 3.43 0.00 -0.82 -2.89 119.26 119.01 3h92 h ALA 39 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3h92 h ALA 39 Cb 0.42 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3h92 h ALA 39 CO 0.01 -1.10 -0.20 -0.07 0.00 0.00 0.00 179.25 177.88 3h92 h LEU 40 N -0.70 0.00 -1.58 0.00 3.38 -0.90 -1.68 115.31 113.83 3h92 h LEU 40 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3h92 h LEU 40 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3h92 h LEU 40 CO -0.30 0.20 -0.22 0.11 0.09 0.00 0.00 178.44 178.32 3h92 h LYS 41 N 0.00 0.00 -0.46 1.13 1.57 -0.98 -1.64 116.57 116.19 3h92 h LYS 41 Ca -0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 3h92 h LYS 41 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3h92 h LYS 41 CO 0.03 0.22 0.40 -0.07 -0.57 0.00 0.00 179.45 179.46 3h92 h LEU 42 N 0.00 0.00 -0.12 2.94 3.38 -1.20 -0.89 115.31 119.42 3h92 h LEU 42 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h92 h LEU 42 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3h92 h LEU 42 CO 0.03 0.00 -0.14 0.49 0.09 0.00 0.00 178.44 178.91 3h92 n PHE 43 N -4.05 0.00 0.17 1.13 3.72 -0.62 -2.56 117.46 115.26 3h92 n PHE 43 Ca 0.08 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.53 3h92 n PHE 43 Cb 0.59 -0.27 0.22 0.00 -0.94 0.00 0.00 39.48 39.08 3h92 n PHE 43 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3h92 h LYS 44 N 0.30 0.00 0.00 -1.08 1.57 -1.28 -3.28 116.57 112.80 3h92 h LYS 44 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 3h92 h LYS 44 Cb 0.41 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 3h92 h LYS 44 CO 0.00 0.41 -2.31 -0.25 -0.57 0.00 0.00 179.45 176.73 3h92 n ASP 45 N -3.37 0.09 -3.64 0.86 8.00 -1.16 -4.91 116.55 112.42 3h92 n ASP 45 Ca 0.01 0.04 -0.20 0.00 0.71 0.00 0.00 54.79 55.35 3h92 n ASP 45 Cb 0.60 0.92 -0.17 0.00 -0.02 0.00 0.00 41.12 42.45 3h92 n ASP 45 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3h92 s ASN 46 N -5.52 1.22 0.22 -2.24 0.01 -1.06 -5.04 114.94 102.53 3h92 s ASN 46 Ca -0.09 0.03 -0.08 0.00 -0.71 0.00 0.00 52.86 52.01 3h92 s ASN 46 Cb 0.06 0.04 0.18 0.00 0.41 0.00 0.00 41.25 41.95 3h92 s ASN 46 CO 0.83 -0.27 1.82 0.22 -1.51 0.00 0.00 177.10 178.19 3h92 h TYR 47 N 8.40 1.20 -4.23 2.20 3.20 -1.87 -3.37 116.97 122.50 3h92 h TYR 47 Ca -0.13 -0.05 -0.53 0.00 3.14 0.00 0.00 58.73 61.16 3h92 h TYR 47 Cb 1.13 -0.38 -0.28 0.00 1.54 0.00 0.00 36.73 38.74 3h92 h TYR 47 CO 0.37 0.86 -0.83 -2.00 -1.64 0.00 0.00 178.16 174.93 3h92 s GLU 48 N -5.73 1.30 0.13 1.82 2.12 -1.26 -4.00 118.70 113.08 3h92 s GLU 48 Ca -0.13 -0.69 -0.14 0.00 0.36 0.00 0.00 54.97 54.37 3h92 s GLU 48 Cb 0.16 -1.29 0.02 0.00 0.26 0.00 0.00 34.13 33.28 3h92 s GLU 48 CO 0.83 0.35 0.37 -0.48 -0.54 0.00 0.00 175.26 175.79 3h92 s LEU 49 N -0.65 0.57 0.48 2.70 0.05 0.45 -4.95 118.68 117.33 3h92 s LEU 49 Ca 0.06 -0.45 -0.23 0.00 0.05 0.00 0.00 54.13 53.55 3h92 s LEU 49 Cb -0.07 1.69 -0.08 0.00 -2.05 0.00 0.00 46.19 45.68 3h92 s LEU 49 CO 0.00 -0.87 1.22 -2.65 -0.55 0.00 0.00 176.35 173.50 3h92 n PRO 50 N -0.21 1.67 0.27 1.48 -0.02 -1.26 0.03 135.00 136.95 3h92 n PRO 50 Ca -0.14 0.60 0.16 0.00 -2.02 0.00 0.00 63.50 62.10 3h92 n PRO 50 Cb 0.63 -2.36 0.64 0.00 -0.02 0.00 0.00 33.50 32.40 3h92 n PRO 50 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3h92 h LYS 51 N 1.65 0.00 0.00 -0.52 2.10 -1.46 -2.33 116.57 116.01 3h92 h LYS 51 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3h92 h LYS 51 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3h92 h LYS 51 CO 0.58 0.03 0.00 -1.13 -2.00 0.00 0.00 179.45 176.93 3h92 n SER 52 N -3.14 0.00 0.15 7.07 3.41 -1.26 -2.57 113.62 117.27 3h92 n SER 52 Ca 0.01 -0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.51 3h92 n SER 52 Cb 0.33 -0.19 0.52 0.00 -0.26 0.00 0.00 64.21 64.61 3h92 n SER 52 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3h92 h LYS 53 N 0.00 0.00 -5.09 4.33 1.79 -1.78 -3.44 116.57 112.37 3h92 h LYS 53 Ca 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 3h92 h LYS 53 Cb 0.13 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.50 3h92 h LYS 53 CO 0.00 0.00 -0.79 0.42 -1.08 0.00 0.00 179.45 178.00 3h92 s ILE 54 N -3.37 0.96 0.33 1.86 1.01 -1.06 -5.04 121.20 115.89 3h92 s ILE 54 Ca 0.04 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 3h92 s ILE 54 Cb 0.09 -0.83 -0.12 0.00 0.01 0.00 0.00 42.46 41.61 3h92 s ILE 54 CO 0.40 0.17 1.38 0.29 0.00 0.00 0.00 174.94 177.18 3h92 n LYS 55 N 2.51 2.28 -0.01 2.79 5.02 -1.26 -4.75 118.16 124.74 3h92 n LYS 55 Ca -0.15 0.80 -0.09 0.00 -2.02 0.00 0.00 58.31 56.85 3h92 n LYS 55 Cb 0.56 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 3h92 n LYS 55 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3h92 h ARG 56 N 3.10 -0.23 -0.99 1.97 2.43 -1.97 0.16 114.38 118.84 3h92 h ARG 56 Ca -0.47 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 58.85 3h92 h ARG 56 Cb 1.27 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.78 3h92 h ARG 56 CO 0.66 -0.16 0.62 0.87 -1.51 0.00 0.00 179.97 180.46 3h92 h LYS 57 N -0.24 0.89 -0.04 0.20 1.57 -1.99 0.12 116.57 117.08 3h92 h LYS 57 Ca 0.10 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3h92 h LYS 57 Cb 0.40 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.51 3h92 h LYS 57 CO -0.29 0.59 -0.45 0.82 -0.57 0.00 0.00 179.45 179.55 3h92 h ILE 58 N 0.92 1.43 -0.49 1.86 2.04 -1.64 -2.14 117.51 119.49 3h92 h ILE 58 Ca 0.51 -1.91 0.02 0.00 1.00 0.00 0.00 64.86 64.47 3h92 h ILE 58 Cb 0.60 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 39.13 3h92 h ILE 58 CO -0.28 0.55 0.30 0.08 0.00 0.00 0.00 178.15 178.80 3h92 h ARG 59 N -0.14 0.59 -0.67 2.37 0.11 0.11 -0.51 114.38 116.24 3h92 h ARG 59 Ca -0.05 -0.04 0.07 0.00 0.10 0.00 0.00 59.98 60.07 3h92 h ARG 59 Cb 1.14 -0.13 -0.06 0.00 1.11 0.00 0.00 29.97 32.03 3h92 h ARG 59 CO 0.09 0.39 0.35 0.82 0.10 0.00 0.00 179.97 181.72 3h92 h ILE 60 N 0.60 0.92 -0.11 0.08 2.04 -0.74 -0.61 117.51 119.70 3h92 h ILE 60 Ca 0.19 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3h92 h ILE 60 Cb -0.01 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3h92 h ILE 60 CO -0.07 0.12 0.03 0.15 0.00 0.00 0.00 178.15 178.37 3h92 h PHE 61 N 0.64 0.18 0.00 1.37 3.57 -0.74 -0.65 116.94 121.31 3h92 h PHE 61 Ca 0.31 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 3h92 h PHE 61 Cb 0.24 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3h92 h PHE 61 CO -0.09 0.34 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.01 3h92 h LEU 62 N -0.03 0.00 0.11 0.59 3.38 -0.84 0.26 115.31 118.77 3h92 h LEU 62 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3h92 h LEU 62 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3h92 h LEU 62 CO 0.00 0.25 -0.05 0.40 0.09 0.00 0.00 178.44 179.12 3h92 h ILE 63 N 0.00 1.08 -0.98 1.22 2.04 -1.00 -0.27 117.51 119.60 3h92 h ILE 63 Ca -0.00 -1.25 0.22 0.00 1.00 0.00 0.00 64.86 64.82 3h92 h ILE 63 Cb 0.53 1.81 -0.09 0.00 -0.74 0.00 0.00 36.82 38.32 3h92 h ILE 63 CO 0.03 0.28 0.62 0.50 0.00 0.00 0.00 178.15 179.58 3h92 h LYS 64 N -0.78 0.53 -0.64 2.37 3.64 -0.76 -0.90 116.57 120.03 3h92 h LYS 64 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3h92 h LYS 64 Cb 0.56 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3h92 h LYS 64 CO 0.02 0.35 0.00 0.39 -2.27 0.00 0.00 179.45 177.94 3h92 n GLU 65 N -4.64 3.11 -3.49 1.90 -0.58 0.05 -4.92 120.64 112.07 3h92 n GLU 65 Ca 0.23 -2.03 -0.26 0.00 -0.42 0.00 0.00 57.16 54.68 3h92 n GLU 65 Cb 0.70 -1.79 0.03 0.00 -0.57 0.00 0.00 31.44 29.81 3h92 n GLU 65 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3h92 n ASN 66 N 0.64 -5.09 -0.12 1.62 5.03 -0.34 -4.87 115.26 112.12 3h92 n ASN 66 Ca 0.18 -0.51 -0.18 0.00 0.87 0.00 0.00 54.58 54.94 3h92 n ASN 66 Cb 0.72 -4.10 -0.12 0.00 -1.02 0.00 0.00 39.78 35.26 3h92 n ASN 66 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3h92 n ILE 67 N -4.48 1.50 -4.38 2.41 2.08 -0.18 -4.68 119.36 111.63 3h92 n ILE 67 Ca -0.02 -0.57 -0.29 0.00 0.56 0.00 0.00 62.75 62.44 3h92 n ILE 67 Cb 0.56 -1.45 -0.12 0.00 -0.75 0.00 0.00 39.64 37.88 3h92 n ILE 67 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3h92 s LEU 68 N -6.57 2.42 -0.13 1.39 1.43 -0.78 -0.54 118.68 115.91 3h92 s LEU 68 Ca -0.35 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.03 3h92 s LEU 68 Cb 0.09 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3h92 s LEU 68 CO 0.60 0.17 -0.12 0.12 0.23 0.00 0.00 176.35 177.35 3h92 s PHE 69 N -1.16 2.82 -0.17 0.29 5.36 0.12 -4.24 117.98 121.00 3h92 s PHE 69 Ca 0.16 -0.58 -0.17 0.00 -0.96 0.00 0.00 56.93 55.38 3h92 s PHE 69 Cb -0.10 -1.84 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 3h92 s PHE 69 CO 0.07 -0.17 0.43 -1.17 -1.46 0.00 0.00 175.22 172.92 3h92 s LEU 70 N 0.27 4.20 -0.46 6.12 2.96 -1.26 -1.81 118.68 128.70 3h92 s LEU 70 Ca -0.09 0.63 -0.15 0.00 -0.22 0.00 0.00 54.13 54.30 3h92 s LEU 70 Cb -0.15 -2.58 0.06 0.00 0.50 0.00 0.00 46.19 44.02 3h92 s LEU 70 CO 0.05 -0.04 0.38 0.21 -1.32 0.00 0.00 176.35 175.63 3h92 s ASN 71 N 0.85 6.14 0.37 3.68 3.84 0.19 -4.94 114.94 125.07 3h92 s ASN 71 Ca 0.22 -1.26 0.17 0.00 0.21 0.00 0.00 52.86 52.19 3h92 s ASN 71 Cb -0.15 -2.18 0.71 0.00 -0.55 0.00 0.00 41.25 39.08 3h92 s ASN 71 CO 0.08 -0.61 1.76 -0.65 -2.79 0.00 0.00 177.10 174.89 3h92 h PRO 72 N 8.73 0.00 0.40 0.43 0.11 -1.96 0.15 132.00 139.87 3h92 h PRO 72 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3h92 h PRO 72 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3h92 h PRO 72 CO 0.85 0.39 -0.19 1.96 -0.21 0.00 0.00 178.00 180.80 3h92 h GLN 73 N 0.00 -0.52 0.00 1.05 7.50 -1.97 -3.26 115.11 117.90 3h92 h GLN 73 Ca -0.00 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.18 3h92 h GLN 73 Cb 0.83 0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.48 3h92 h GLN 73 CO 0.05 -0.21 -0.02 1.63 -1.50 0.00 0.00 178.83 178.78 3h92 n LYS 74 N -5.18 0.02 -2.64 1.46 5.02 -1.18 -4.93 118.16 110.72 3h92 n LYS 74 Ca -0.10 0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.04 3h92 n LYS 74 Cb 0.29 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 3h92 n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h92 n GLY 75 N 1.48 -0.31 3.49 0.72 0.00 0.50 -4.96 105.19 106.11 3h92 n GLY 75 Ca 0.07 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3h92 n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h92 s THR 76 N -2.97 2.61 0.14 2.61 -4.23 -1.01 -1.21 115.64 111.58 3h92 s THR 76 Ca 0.14 -2.34 0.09 0.00 -1.18 0.00 0.00 61.69 58.41 3h92 s THR 76 Cb -0.06 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 3h92 s THR 76 CO 0.18 -0.39 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.92 3h92 s LEU 77 N -3.52 2.65 0.19 4.79 1.43 0.10 -0.63 118.68 123.69 3h92 s LEU 77 Ca 0.30 -0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 3h92 s LEU 77 Cb -0.05 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.74 3h92 s LEU 77 CO 0.16 0.16 0.57 -1.59 0.23 0.00 0.00 176.35 175.88 3h92 s LYS 78 N -2.28 1.37 0.61 1.70 -2.85 -0.75 -0.41 119.74 117.13 3h92 s LYS 78 Ca 0.19 -0.71 -0.19 0.00 -1.00 0.00 0.00 55.97 54.26 3h92 s LYS 78 Cb -0.10 0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 3h92 s LYS 78 CO 0.10 -0.59 1.28 -2.30 0.10 0.00 0.00 175.35 173.94 3h92 n PRO 79 N -0.36 1.27 0.23 1.78 -0.02 -1.26 0.13 135.00 136.77 3h92 n PRO 79 Ca -0.13 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 3h92 n PRO 79 Cb 0.63 -2.51 0.53 0.00 -0.02 0.00 0.00 33.50 32.13 3h92 n PRO 79 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3h92 h GLN 80 N 0.80 0.00 -3.25 -0.52 5.75 -1.09 -3.40 115.11 113.41 3h92 h GLN 80 Ca -0.51 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.01 3h92 h GLN 80 Cb 1.33 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.81 3h92 h GLN 80 CO 0.54 0.23 0.09 -1.54 -2.65 0.00 0.00 178.83 175.51 3h92 s SER 81 N -6.55 -0.20 0.24 -0.69 1.04 -1.26 -4.92 113.70 101.36 3h92 s SER 81 Ca -0.03 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 3h92 s SER 81 Cb 0.14 0.67 0.25 0.00 0.10 0.00 0.00 66.02 67.18 3h92 s SER 81 CO 0.66 -1.26 1.72 1.88 0.98 0.00 0.00 173.24 177.22 3h92 h TYR 82 N 2.10 0.94 -0.61 5.02 0.05 -1.99 -0.35 116.97 122.13 3h92 h TYR 82 Ca -0.22 -0.14 0.12 0.00 0.05 0.00 0.00 58.73 58.54 3h92 h TYR 82 Cb 1.25 -0.25 -0.09 0.00 1.01 0.00 0.00 36.73 38.64 3h92 h TYR 82 CO 0.41 0.85 0.08 -0.07 -1.05 0.00 0.00 178.16 178.38 3h92 h LEU 83 N 0.81 -0.12 -0.20 3.88 3.38 -1.98 0.22 115.31 121.30 3h92 h LEU 83 Ca 0.15 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3h92 h LEU 83 Cb 0.49 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3h92 h LEU 83 CO 0.02 -0.05 0.07 0.58 0.09 0.00 0.00 178.44 179.15 3h92 h VAL 84 N 0.19 1.19 -1.01 1.22 2.07 -1.74 -1.48 116.25 116.69 3h92 h VAL 84 Ca 0.32 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3h92 h VAL 84 Cb 0.51 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3h92 h VAL 84 CO -0.46 0.18 0.66 -0.25 0.02 0.00 0.00 177.57 177.72 3h92 h TRP 85 N 0.16 1.23 0.00 1.57 7.01 -0.53 -0.72 115.95 124.67 3h92 h TRP 85 Ca 0.07 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.00 3h92 h TRP 85 Cb 0.23 -0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 26.86 3h92 h TRP 85 CO 0.00 0.68 -0.45 -0.91 -2.79 0.00 0.00 178.44 174.96 3h92 h ASN 86 N 1.24 0.00 -0.39 2.65 -0.26 -0.38 -2.08 115.58 116.36 3h92 h ASN 86 Ca 0.42 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.99 3h92 h ASN 86 Cb 0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3h92 h ASN 86 CO -0.15 0.45 -0.39 0.00 -1.06 0.00 0.00 177.43 176.29 3h92 h ALA 87 N 1.55 0.57 -0.02 -0.83 0.00 -0.11 -2.04 119.26 118.38 3h92 h ALA 87 Ca -0.00 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3h92 h ALA 87 Cb 0.96 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3h92 h ALA 87 CO 0.06 0.68 -0.15 0.82 0.00 0.00 0.00 179.25 180.66 3h92 h ILE 88 N 0.77 0.63 -0.45 0.00 2.04 -1.03 -2.96 117.51 116.50 3h92 h ILE 88 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3h92 h ILE 88 Cb 0.99 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3h92 h ILE 88 CO 0.10 0.00 0.25 0.11 0.00 0.00 0.00 178.15 178.61 3h92 h LYS 89 N -0.24 0.49 -0.26 2.37 1.57 -1.33 0.69 116.57 119.86 3h92 h LYS 89 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3h92 h LYS 89 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3h92 h LYS 89 CO -0.16 0.32 0.00 -2.13 -0.57 0.00 0.00 179.45 176.91 3h92 n ARG 90 N -4.86 0.51 0.00 3.15 0.63 -0.77 -5.11 116.66 110.20 3h92 n ARG 90 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3h92 n ARG 90 Cb 0.09 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 31.87 3h92 n ARG 90 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40