#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 s LYS 2 N 0.00 0.77 0.06 -0.52 2.36 -1.26 -5.12 119.74 116.04 1vs6 s LYS 2 Ca 0.00 -0.52 -0.30 0.00 -2.55 0.00 0.00 55.97 52.60 1vs6 s LYS 2 Cb 0.00 -2.17 -0.05 0.00 -1.05 0.00 0.00 37.83 34.56 1vs6 s LYS 2 CO 0.00 -0.65 1.13 0.42 1.55 0.00 0.00 175.35 177.80 1vs6 s ILE 3 N 1.79 4.22 0.22 5.43 1.01 -1.26 -5.03 121.20 127.59 1vs6 s ILE 3 Ca -0.01 1.63 -0.15 0.00 0.00 0.00 0.00 60.65 62.12 1vs6 s ILE 3 Cb -0.17 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 1vs6 s ILE 3 CO -0.08 0.15 0.64 -1.59 0.00 0.00 0.00 174.94 174.05 1vs6 s LYS 4 N 0.85 4.03 -0.79 2.79 0.00 -1.26 -4.96 119.74 120.39 1vs6 s LYS 4 Ca 0.56 0.59 -0.25 0.00 0.00 0.00 0.00 55.97 56.87 1vs6 s LYS 4 Cb -0.27 -2.75 -0.04 0.00 0.00 0.00 0.00 37.83 34.77 1vs6 s LYS 4 CO 0.30 0.35 1.94 0.99 0.00 0.00 0.00 175.35 178.93 1vs6 s THR 5 N -1.66 3.39 0.50 3.79 2.01 -1.26 -4.81 115.64 117.60 1vs6 s THR 5 Ca 0.45 -0.15 0.39 0.00 0.31 0.00 0.00 61.69 62.68 1vs6 s THR 5 Cb -0.14 -3.93 0.59 0.00 0.01 0.00 0.00 72.50 69.04 1vs6 s THR 5 CO 0.20 -0.88 1.64 0.58 -0.69 0.00 0.00 174.62 175.47 1vs6 h VAL 6 N 7.16 0.15 0.66 3.82 2.07 -2.02 -1.96 116.25 126.13 1vs6 h VAL 6 Ca -0.04 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1vs6 h VAL 6 Cb 1.07 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1vs6 h VAL 6 CO 1.20 0.01 -0.32 -0.09 0.02 0.00 0.00 177.57 178.40 1vs6 h ARG 7 N 0.05 -0.85 -1.35 1.57 9.65 -2.01 -2.95 114.38 118.49 1vs6 h ARG 7 Ca 0.81 0.06 0.47 0.00 -1.10 0.00 0.00 59.98 60.22 1vs6 h ARG 7 Cb 2.93 0.19 -0.14 0.00 -1.39 0.00 0.00 29.97 31.57 1vs6 h ARG 7 CO -0.18 -0.57 0.87 0.41 2.80 0.00 0.00 179.97 183.29 1vs6 n GLY 8 N -1.20 -0.83 0.00 2.80 0.00 -0.74 -1.36 105.19 103.87 1vs6 n GLY 8 Ca -0.11 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1vs6 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs6 n ALA 9 N -2.52 -0.29 0.27 4.61 0.00 -1.12 0.02 120.51 121.48 1vs6 n ALA 9 Ca 0.40 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.94 1vs6 n ALA 9 Cb 1.54 0.03 0.53 0.00 0.00 0.00 0.00 19.45 21.55 1vs6 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 h ALA 10 N -1.95 1.36 0.00 0.00 0.00 -1.24 1.05 119.26 118.49 1vs6 h ALA 10 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1vs6 h ALA 10 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1vs6 h ALA 10 CO 0.00 -0.36 -0.34 -0.22 0.00 0.00 0.00 179.25 178.33 1vs6 h LYS 11 N 0.00 0.00 0.00 0.00 3.64 -0.74 -3.43 116.57 116.04 1vs6 h LYS 11 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vs6 h LYS 11 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1vs6 h LYS 11 CO 0.00 0.54 -0.38 0.54 -2.27 0.00 0.00 179.45 177.87 1vs6 n ARG 12 N -4.63 0.23 -1.67 1.90 1.74 0.10 -4.62 116.66 109.71 1vs6 n ARG 12 Ca -0.11 -1.20 -0.53 0.00 -0.77 0.00 0.00 57.85 55.24 1vs6 n ARG 12 Cb 0.34 -0.65 -0.06 0.00 -1.02 0.00 0.00 32.46 31.07 1vs6 n ARG 12 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1vs6 n PHE 13 N -0.21 1.95 -0.07 -1.55 -1.74 0.36 -4.34 117.46 111.84 1vs6 n PHE 13 Ca 0.02 0.46 0.00 0.00 -0.56 0.00 0.00 57.45 57.38 1vs6 n PHE 13 Cb 0.67 -2.46 0.00 0.00 1.52 0.00 0.00 39.48 39.21 1vs6 n PHE 13 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1vs6 n LYS 14 N 4.50 -3.12 0.00 3.97 4.76 -1.26 -4.89 118.16 122.12 1vs6 n LYS 14 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1vs6 n LYS 14 Cb 0.19 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 1vs6 n LYS 14 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1vs6 n LYS 15 N -0.16 0.00 -0.21 1.97 4.81 -1.26 -4.36 118.16 118.95 1vs6 n LYS 15 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1vs6 n LYS 15 Cb 0.00 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.15 1vs6 n LYS 15 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1vs6 n THR 16 N 0.00 0.00 0.31 3.15 -2.24 0.54 -4.55 114.28 111.48 1vs6 n THR 16 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1vs6 n THR 16 Cb 0.00 -0.33 0.50 0.00 -2.10 0.00 0.00 70.33 68.40 1vs6 n THR 16 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1vs6 h GLY 17 N -1.91 0.00 -5.92 3.38 0.00 -2.02 -2.84 103.07 93.76 1vs6 h GLY 17 Ca -0.13 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.70 1vs6 h GLY 17 CO 0.08 0.00 -0.93 0.28 0.00 0.00 0.00 176.54 175.97 1vs6 n LYS 18 N -2.78 0.51 0.00 4.80 4.76 -1.26 -5.10 118.16 119.08 1vs6 n LYS 18 Ca -0.00 -2.92 0.00 0.00 -2.87 0.00 0.00 58.31 52.52 1vs6 n LYS 18 Cb 0.65 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1vs6 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vs6 n GLY 19 N 2.11 3.23 4.06 0.72 0.00 -1.07 -4.79 105.19 109.43 1vs6 n GLY 19 Ca 0.23 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 1vs6 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 20 N 0.00 -0.18 2.89 -0.02 0.00 -1.26 -0.34 105.19 106.28 1vs6 n GLY 20 Ca 0.00 0.12 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 1vs6 n GLY 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1vs6 n PHE 21 N -3.86 0.65 -2.78 1.61 1.16 -1.26 -4.46 117.46 108.51 1vs6 n PHE 21 Ca -0.15 0.88 -0.43 0.00 -1.87 0.00 0.00 57.45 55.88 1vs6 n PHE 21 Cb 0.52 -1.72 -0.03 0.00 -1.61 0.00 0.00 39.48 36.63 1vs6 n PHE 21 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1vs6 s LYS 22 N 0.33 3.30 0.00 3.97 -0.14 -1.26 -4.28 119.74 121.66 1vs6 s LYS 22 Ca 0.76 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 54.38 1vs6 s LYS 22 Cb -1.06 -4.53 0.00 0.00 -1.68 0.00 0.00 37.83 30.55 1vs6 s LYS 22 CO 0.49 -1.91 0.00 0.72 -0.76 0.00 0.00 175.35 173.89 1vs6 n HIS 23 N 7.87 0.00 -2.09 3.18 8.25 -1.07 -4.49 115.22 126.87 1vs6 n HIS 23 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1vs6 n HIS 23 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1vs6 n HIS 23 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1vs6 n LYS 24 N 0.00 0.00 0.00 -0.41 2.85 -1.26 -4.59 118.16 114.75 1vs6 n LYS 24 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs6 n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vs6 n LYS 24 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1vs6 n HIS 25 N 0.00 0.00 -1.27 5.58 -0.00 -1.26 -3.18 115.22 115.09 1vs6 n HIS 25 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 1vs6 n HIS 25 Cb 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 1vs6 n HIS 25 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1vs6 n ALA 26 N -3.00 -2.15 -1.42 1.57 0.00 -1.26 -5.07 120.51 109.18 1vs6 n ALA 26 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1vs6 n ALA 26 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1vs6 n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1vs6 n ASN 27 N -2.89 0.00 0.00 0.00 5.15 -1.26 -4.93 115.26 111.33 1vs6 n ASN 27 Ca -0.02 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 53.99 1vs6 n ASN 27 Cb 0.45 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.88 1vs6 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vs6 n LEU 28 N 0.00 0.00 -4.73 1.20 -0.00 -1.26 -4.90 117.00 107.31 1vs6 n LEU 28 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 1vs6 n LEU 28 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.48 1vs6 n LEU 28 CO 0.00 0.00 0.92 0.00 -0.00 0.00 0.00 177.39 178.31 1vs6 s ARG 29 N -2.00 2.64 -1.68 1.47 1.04 -1.26 -0.68 118.95 118.48 1vs6 s ARG 29 Ca 0.09 2.09 0.00 0.00 -1.04 0.00 0.00 55.73 56.87 1vs6 s ARG 29 Cb 0.04 -1.91 0.00 0.00 -2.04 0.00 0.00 34.95 31.04 1vs6 s ARG 29 CO 0.07 -1.54 0.00 0.72 -0.04 0.00 0.00 175.30 174.51 1vs6 n HIS 30 N -1.77 -0.02 0.01 5.89 8.25 -1.26 -4.65 115.22 121.68 1vs6 n HIS 30 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1vs6 n HIS 30 Cb 0.48 -2.78 0.00 0.00 1.12 0.00 0.00 29.99 28.81 1vs6 n HIS 30 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1vs6 n ILE 31 N -2.57 0.00 -3.64 1.59 5.41 -1.13 -5.04 119.36 113.98 1vs6 n ILE 31 Ca -0.16 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.31 1vs6 n ILE 31 Cb 0.52 -0.01 -0.11 0.00 -0.71 0.00 0.00 39.64 39.33 1vs6 n ILE 31 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1vs6 s LEU 32 N -5.11 3.04 -0.08 1.39 1.43 0.14 -4.86 118.68 114.64 1vs6 s LEU 32 Ca 0.00 -3.43 0.11 0.00 -1.03 0.00 0.00 54.13 49.79 1vs6 s LEU 32 Cb 0.00 -1.01 0.20 0.00 0.03 0.00 0.00 46.19 45.41 1vs6 s LEU 32 CO 0.00 -0.13 1.12 0.35 0.23 0.00 0.00 176.35 177.92 1vs6 n THR 33 N 2.45 1.54 1.54 5.49 -2.24 -1.25 -4.50 114.28 117.32 1vs6 n THR 33 Ca 0.25 -1.70 0.14 0.00 -2.27 0.00 0.00 64.05 60.47 1vs6 n THR 33 Cb 0.41 0.07 0.77 0.00 -2.10 0.00 0.00 70.33 69.49 1vs6 n THR 33 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1vs6 n LYS 34 N -0.91 0.64 -4.77 -0.78 4.81 -1.26 -4.71 118.16 111.18 1vs6 n LYS 34 Ca 0.10 0.01 -0.28 0.00 -0.87 0.00 0.00 58.31 57.27 1vs6 n LYS 34 Cb 0.50 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.91 1vs6 n LYS 34 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1vs6 s LYS 35 N -2.30 1.61 0.22 1.64 -0.14 -1.26 -5.06 119.74 114.45 1vs6 s LYS 35 Ca 0.34 -1.06 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 1vs6 s LYS 35 Cb 0.19 -1.78 0.00 0.00 -1.68 0.00 0.00 37.83 34.56 1vs6 s LYS 35 CO 0.38 0.46 0.00 0.00 -0.76 0.00 0.00 175.35 175.42 1vs6 n ALA 36 N 1.74 -1.06 0.02 5.17 0.00 -1.26 -4.98 120.51 120.14 1vs6 n ALA 36 Ca -0.17 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1vs6 n ALA 36 Cb 0.53 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1vs6 n ALA 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1vs6 n THR 37 N -1.98 0.09 0.30 0.00 -1.04 -1.26 -4.80 114.28 105.60 1vs6 n THR 37 Ca -0.00 0.03 -0.17 0.00 -2.04 0.00 0.00 64.05 61.87 1vs6 n THR 37 Cb 0.18 -0.55 -0.09 0.00 -1.82 0.00 0.00 70.33 68.06 1vs6 n THR 37 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1vs6 h LYS 38 N 0.00 -0.86 0.00 -2.82 1.63 -2.04 -1.66 116.57 110.82 1vs6 h LYS 38 Ca 0.00 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1vs6 h LYS 38 Cb 0.00 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1vs6 h LYS 38 CO 0.00 -0.57 0.17 0.54 -3.45 0.00 0.00 179.45 176.13 1vs6 n ARG 39 N -5.51 0.08 -3.47 1.90 1.74 -1.26 -3.72 116.66 106.43 1vs6 n ARG 39 Ca -0.12 0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 57.08 1vs6 n ARG 39 Cb 0.40 -1.94 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 1vs6 n ARG 39 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1vs6 s LYS 40 N -3.25 3.46 -0.07 5.56 2.20 -0.63 -4.98 119.74 122.03 1vs6 s LYS 40 Ca -0.01 -2.81 -0.03 0.00 -0.36 0.00 0.00 55.97 52.76 1vs6 s LYS 40 Cb 0.04 -4.22 0.04 0.00 -1.51 0.00 0.00 37.83 32.17 1vs6 s LYS 40 CO 0.11 -1.25 0.06 0.50 -0.36 0.00 0.00 175.35 174.42 1vs6 s ARG 41 N -0.50 0.01 0.41 4.03 3.00 -1.24 -4.88 118.95 119.77 1vs6 s ARG 41 Ca 0.22 0.25 0.13 0.00 -1.00 0.00 0.00 55.73 55.33 1vs6 s ARG 41 Cb -0.12 -0.86 0.96 0.00 0.00 0.00 0.00 34.95 34.94 1vs6 s ARG 41 CO -0.08 -0.41 1.93 1.25 0.00 0.00 0.00 175.30 177.99 1vs6 h HIS 42 N 8.42 0.57 0.00 5.12 -0.00 -1.95 -3.45 115.15 123.86 1vs6 h HIS 42 Ca -0.13 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1vs6 h HIS 42 Cb 1.13 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 1vs6 h HIS 42 CO 0.40 0.24 0.00 1.28 -0.00 0.00 0.00 177.93 179.85 1vs6 n LEU 43 N -4.49 0.00 -3.86 0.26 7.99 -1.26 -4.63 117.00 111.01 1vs6 n LEU 43 Ca 0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 56.08 1vs6 n LEU 43 Cb 0.45 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.78 1vs6 n LEU 43 CO 0.33 0.00 0.70 -0.60 -1.51 0.00 0.00 177.39 176.31 1vs6 s ARG 44 N 0.00 1.70 0.00 3.23 6.06 -1.26 -5.16 118.95 123.51 1vs6 s ARG 44 Ca 0.00 -1.10 0.00 0.00 -2.50 0.00 0.00 55.73 52.13 1vs6 s ARG 44 Cb 0.00 0.47 0.00 0.00 0.06 0.00 0.00 34.95 35.48 1vs6 s ARG 44 CO 0.00 -0.80 0.00 -0.35 -2.50 0.00 0.00 175.30 171.65 1vs6 n PRO 45 N -0.64 0.02 -3.61 5.12 -0.04 -1.26 -4.52 135.00 130.08 1vs6 n PRO 45 Ca -0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.35 1vs6 n PRO 45 Cb 0.60 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.01 1vs6 n PRO 45 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1vs6 s LYS 46 N -2.27 0.33 0.00 0.54 2.20 -1.19 -4.87 119.74 114.48 1vs6 s LYS 46 Ca 0.00 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1vs6 s LYS 46 Cb 0.00 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1vs6 s LYS 46 CO 0.00 -0.11 0.00 0.00 -0.36 0.00 0.00 175.35 174.88 1vs6 n ALA 47 N 0.56 0.00 -3.73 3.13 0.00 -1.26 -2.60 120.51 116.62 1vs6 n ALA 47 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1vs6 n ALA 47 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.05 1vs6 n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1vs6 n MET 48 N 0.00 0.33 0.09 0.00 2.81 -1.26 -4.89 117.12 114.20 1vs6 n MET 48 Ca 0.00 -0.88 0.00 0.00 -1.81 0.00 0.00 57.70 55.01 1vs6 n MET 48 Cb 0.00 1.28 0.00 0.00 -0.71 0.00 0.00 33.22 33.79 1vs6 n MET 48 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1vs6 n VAL 49 N -0.63 0.54 0.29 2.03 0.31 -1.26 -4.20 118.33 115.41 1vs6 n VAL 49 Ca 0.01 0.18 0.14 0.00 -0.01 0.00 0.00 64.34 64.66 1vs6 n VAL 49 Cb 0.45 -0.97 0.87 0.00 -0.91 0.00 0.00 33.84 33.27 1vs6 n VAL 49 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1vs6 h SER 50 N 0.00 0.00 0.00 4.52 0.02 -2.05 -2.93 113.55 113.11 1vs6 h SER 50 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1vs6 h SER 50 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1vs6 h SER 50 CO 0.00 0.03 -1.87 1.17 -1.14 0.00 0.00 176.83 175.01 1vs6 n LYS 51 N -3.84 1.60 -0.27 3.45 4.81 -1.26 -4.71 118.16 117.94 1vs6 n LYS 51 Ca -0.03 -0.03 0.01 0.00 -0.87 0.00 0.00 58.31 57.40 1vs6 n LYS 51 Cb 0.11 -1.34 0.05 0.00 0.02 0.00 0.00 35.03 33.88 1vs6 n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vs6 n GLY 52 N 2.10 -1.39 0.24 3.14 0.00 -1.11 -1.04 105.19 107.14 1vs6 n GLY 52 Ca -0.19 0.79 -0.01 0.00 0.00 0.00 0.00 46.02 46.62 1vs6 n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vs6 h ASP 53 N 0.00 -0.61 -0.23 1.61 3.32 -1.84 -1.83 116.42 116.84 1vs6 h ASP 53 Ca 0.28 0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.52 1vs6 h ASP 53 Cb 0.46 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1vs6 h ASP 53 CO -0.72 -0.21 0.13 -0.07 -1.72 0.00 0.00 179.24 176.64 1vs6 h LEU 54 N -0.01 0.28 0.00 1.55 3.38 -1.42 -0.72 115.31 118.38 1vs6 h LEU 54 Ca 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1vs6 h LEU 54 Cb 0.46 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1vs6 h LEU 54 CO -0.64 0.28 0.00 0.61 0.09 0.00 0.00 178.44 178.78 1vs6 n GLY 55 N -0.95 -0.49 3.65 0.83 0.00 -0.78 -4.50 105.19 102.95 1vs6 n GLY 55 Ca -0.03 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1vs6 n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vs6 s LEU 56 N -2.66 4.12 0.00 0.99 2.96 -0.28 -4.51 118.68 119.30 1vs6 s LEU 56 Ca 0.04 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1vs6 s LEU 56 Cb 0.03 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1vs6 s LEU 56 CO 0.08 -0.09 0.00 0.55 -1.32 0.00 0.00 176.35 175.56 1vs6 n VAL 57 N 4.54 0.00 -0.83 1.68 3.14 -1.26 -4.96 118.33 120.64 1vs6 n VAL 57 Ca -0.09 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.99 1vs6 n VAL 57 Cb 0.51 0.00 0.25 0.00 -1.06 0.00 0.00 33.84 33.54 1vs6 n VAL 57 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1vs6 s ILE 58 N 0.00 1.53 0.19 1.55 -4.36 -1.26 -4.83 121.20 114.03 1vs6 s ILE 58 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 1vs6 s ILE 58 Cb 0.00 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1vs6 s ILE 58 CO 0.00 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.18 1vs6 n ALA 59 N -5.01 -2.22 0.00 2.27 0.00 -1.26 -5.00 120.51 109.29 1vs6 n ALA 59 Ca 0.12 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1vs6 n ALA 59 Cb 0.59 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1vs6 n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 s LEU 61 N 0.00 4.02 -0.29 0.00 1.02 -1.26 -5.02 118.68 117.16 1vs6 s LEU 61 Ca 0.00 0.05 -0.38 0.00 0.02 0.00 0.00 54.13 53.82 1vs6 s LEU 61 Cb 0.00 -2.09 -0.14 0.00 0.02 0.00 0.00 46.19 43.98 1vs6 s LEU 61 CO 0.00 0.02 1.94 -2.65 0.02 0.00 0.00 176.35 175.68 1vs6 n PRO 62 N 4.57 1.23 0.00 1.29 -0.02 -1.26 -4.88 135.00 135.93 1vs6 n PRO 62 Ca -0.15 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1vs6 n PRO 62 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1vs6 n PRO 62 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1vs6 n TYR 63 N 7.20 0.00 -1.48 6.00 4.01 -1.26 -5.24 117.16 126.39 1vs6 n TYR 63 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 1vs6 n TYR 63 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1vs6 n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40