#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs8 n LYS 2 N 0.00 0.00 0.00 0.00 5.02 -1.23 -4.63 118.16 117.32 1vs8 n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vs8 n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1vs8 n LYS 2 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1vs8 n THR 3 N 0.00 0.00 -1.72 -0.18 5.66 -1.24 -1.14 114.28 115.66 1vs8 n THR 3 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1vs8 n THR 3 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 1vs8 n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vs8 n ILE 4 N -0.20 3.35 -2.31 1.09 3.06 -1.26 -3.63 119.36 119.46 1vs8 n ILE 4 Ca 0.00 -0.50 -0.03 0.00 -2.50 0.00 0.00 62.75 59.72 1vs8 n ILE 4 Cb 0.00 -1.59 0.00 0.00 0.54 0.00 0.00 39.64 38.59 1vs8 n ILE 4 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1vs8 n LYS 5 N -0.63 -1.23 -2.73 9.51 5.02 -1.26 -4.99 118.16 121.85 1vs8 n LYS 5 Ca 0.09 1.35 -0.10 0.00 -2.02 0.00 0.00 58.31 57.64 1vs8 n LYS 5 Cb 0.43 -3.93 0.04 0.00 -0.02 0.00 0.00 35.03 31.55 1vs8 n LYS 5 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1vs8 n ILE 6 N -0.64 0.69 -2.27 -0.18 -5.35 -1.26 -4.23 119.36 106.12 1vs8 n ILE 6 Ca 0.05 -2.98 -0.43 0.00 -0.27 0.00 0.00 62.75 59.13 1vs8 n ILE 6 Cb 0.32 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 38.82 1vs8 n ILE 6 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1vs8 s THR 7 N -2.50 4.00 -0.08 7.28 -4.23 -1.12 -4.10 115.64 114.89 1vs8 s THR 7 Ca 0.28 1.24 -0.30 0.00 -1.18 0.00 0.00 61.69 61.73 1vs8 s THR 7 Cb 0.43 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 1vs8 s THR 7 CO 0.01 -0.09 1.27 -1.58 -0.54 0.00 0.00 174.62 173.69 1vs8 s GLN 8 N 3.47 4.29 1.06 3.99 0.74 -1.14 -2.71 119.66 129.36 1vs8 s GLN 8 Ca 0.62 1.74 -0.14 0.00 0.05 0.00 0.00 55.36 57.63 1vs8 s GLN 8 Cb -0.27 -3.65 0.22 0.00 1.10 0.00 0.00 33.01 30.42 1vs8 s GLN 8 CO 0.21 -0.57 1.09 0.95 -0.55 0.00 0.00 175.29 176.42 1vs8 s THR 9 N 2.74 1.93 1.31 -0.34 -4.23 0.11 -4.28 115.64 112.88 1vs8 s THR 9 Ca 0.58 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.88 1vs8 s THR 9 Cb -0.25 -2.45 0.31 0.00 1.34 0.00 0.00 72.50 71.45 1vs8 s THR 9 CO 0.21 0.00 0.72 0.54 -0.54 0.00 0.00 174.62 175.54 1vs8 n ARG 10 N -4.38 -3.88 -0.07 3.99 1.74 -1.26 -4.84 116.66 107.96 1vs8 n ARG 10 Ca 0.06 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 1vs8 n ARG 10 Cb 0.58 -1.81 -0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1vs8 n ARG 10 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1vs8 n SER 11 N -4.36 -0.37 0.00 0.55 2.88 -1.26 -4.86 113.62 106.20 1vs8 n SER 11 Ca 0.10 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1vs8 n SER 11 Cb 0.52 0.46 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1vs8 n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vs8 n ALA 12 N -1.71 0.00 -2.24 -1.46 0.00 -1.26 -4.98 120.51 108.86 1vs8 n ALA 12 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1vs8 n ALA 12 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 1vs8 n ALA 12 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1vs8 s ILE 13 N -1.11 4.71 0.00 0.00 -0.00 -1.26 -3.85 121.20 119.70 1vs8 s ILE 13 Ca 0.00 1.14 0.00 0.00 -0.00 0.00 0.00 60.65 61.79 1vs8 s ILE 13 Cb 0.00 -3.85 0.00 0.00 -0.00 0.00 0.00 42.46 38.61 1vs8 s ILE 13 CO 0.00 0.38 0.00 0.61 -0.00 0.00 0.00 174.94 175.93 1vs8 n GLY 14 N 1.21 3.39 3.74 6.27 0.00 -1.26 -5.05 105.19 113.48 1vs8 n GLY 14 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1vs8 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vs8 s ARG 15 N -0.78 2.41 0.56 1.61 1.81 -1.25 -4.95 118.95 118.36 1vs8 s ARG 15 Ca 0.00 1.72 -0.20 0.00 -1.72 0.00 0.00 55.73 55.53 1vs8 s ARG 15 Cb 0.00 -1.87 -0.06 0.00 -0.45 0.00 0.00 34.95 32.58 1vs8 s ARG 15 CO 0.00 -1.62 1.10 1.28 -0.68 0.00 0.00 175.30 175.38 1vs8 n LEU 16 N -2.44 4.14 -0.10 2.53 4.77 -1.26 -4.76 117.00 119.87 1vs8 n LEU 16 Ca 0.13 0.89 0.23 0.00 -0.03 0.00 0.00 56.01 57.23 1vs8 n LEU 16 Cb 0.50 -1.44 0.67 0.00 -2.33 0.00 0.00 43.42 40.82 1vs8 n LEU 16 CO 0.47 -1.41 1.22 -0.65 -1.33 0.00 0.00 177.39 175.69 1vs8 h PRO 17 N 0.91 0.07 -0.11 3.23 0.11 -2.01 -0.09 132.00 134.12 1vs8 h PRO 17 Ca -0.49 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 1vs8 h PRO 17 Cb 1.34 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.44 1vs8 h PRO 17 CO 0.54 0.05 -0.80 0.87 -0.21 0.00 0.00 178.00 178.44 1vs8 h LYS 18 N 0.07 0.66 0.16 1.05 6.56 -1.99 -2.98 116.57 120.10 1vs8 h LYS 18 Ca 0.35 -0.56 -0.01 0.00 -1.06 0.00 0.00 60.65 59.37 1vs8 h LYS 18 Cb 1.28 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 33.06 1vs8 h LYS 18 CO -0.03 1.18 -0.08 0.45 -2.06 0.00 0.00 179.45 178.91 1vs8 h HIS 19 N 0.44 -0.20 -0.37 -1.35 3.86 -1.34 -2.20 115.15 113.98 1vs8 h HIS 19 Ca -0.06 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1vs8 h HIS 19 Cb 1.42 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.94 1vs8 h HIS 19 CO 0.07 -0.12 0.50 1.57 0.86 0.00 0.00 177.93 180.81 1vs8 h LYS 20 N -0.22 0.00 -0.53 2.45 2.10 -1.67 0.32 116.57 119.02 1vs8 h LYS 20 Ca -0.02 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 1vs8 h LYS 20 Cb 0.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 1vs8 h LYS 20 CO 0.04 0.00 -0.10 0.00 -2.00 0.00 0.00 179.45 177.39 1vs8 h ALA 21 N 1.36 0.72 0.00 0.07 0.00 -1.32 -2.56 119.26 117.54 1vs8 h ALA 21 Ca 0.18 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1vs8 h ALA 21 Cb 1.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1vs8 h ALA 21 CO -0.00 0.63 -0.39 1.79 0.00 0.00 0.00 179.25 181.28 1vs8 h THR 22 N 0.87 1.08 0.00 0.00 1.35 0.24 -2.58 112.91 113.87 1vs8 h THR 22 Ca 0.14 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1vs8 h THR 22 Cb 0.66 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1vs8 h THR 22 CO 0.05 0.38 0.00 0.18 -0.25 0.00 0.00 175.52 175.88 1vs8 n LEU 23 N -3.78 0.00 0.04 3.87 7.99 -0.96 -0.71 117.00 123.44 1vs8 n LEU 23 Ca -0.01 0.49 -0.18 0.00 -0.01 0.00 0.00 56.01 56.29 1vs8 n LEU 23 Cb 0.46 -0.49 -0.14 0.00 -0.11 0.00 0.00 43.42 43.15 1vs8 n LEU 23 CO 0.38 -0.48 -0.53 -0.07 -1.51 0.00 0.00 177.39 175.17 1vs8 h LEU 24 N 0.00 0.39 -1.70 2.23 3.38 -1.54 -3.29 115.31 114.79 1vs8 h LEU 24 Ca 0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1vs8 h LEU 24 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1vs8 h LEU 24 CO 0.00 1.57 0.36 1.23 0.09 0.00 0.00 178.44 181.69 1vs8 h GLY 25 N 1.58 0.00 -4.49 0.83 0.00 -1.06 -3.37 103.07 96.56 1vs8 h GLY 25 Ca -0.32 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.42 1vs8 h GLY 25 CO 0.13 0.00 -0.85 1.08 0.00 0.00 0.00 176.54 176.91 1vs8 s LEU 26 N -5.43 2.16 0.00 3.11 1.43 -1.24 -4.74 118.68 113.98 1vs8 s LEU 26 Ca -0.03 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1vs8 s LEU 26 Cb 0.07 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1vs8 s LEU 26 CO 0.23 0.17 0.80 0.61 0.23 0.00 0.00 176.35 178.40 1vs8 n GLY 27 N 1.86 -0.32 2.87 -3.19 0.00 -1.26 -4.74 105.19 100.41 1vs8 n GLY 27 Ca -0.17 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.32 1vs8 n GLY 27 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vs8 n LEU 28 N -1.30 0.69 -3.85 0.99 7.94 -1.25 -4.93 117.00 115.28 1vs8 n LEU 28 Ca 0.00 0.63 -0.09 0.00 -1.11 0.00 0.00 56.01 55.44 1vs8 n LEU 28 Cb 0.08 -0.78 -0.07 0.00 0.53 0.00 0.00 43.42 43.18 1vs8 n LEU 28 CO 0.00 -0.68 -0.05 -0.13 -1.11 0.00 0.00 177.39 175.42 1vs8 s ARG 29 N 5.02 0.93 1.73 1.96 1.81 -1.26 -4.72 118.95 124.43 1vs8 s ARG 29 Ca 1.04 -0.98 0.00 0.00 -1.72 0.00 0.00 55.73 54.07 1vs8 s ARG 29 Cb -1.31 0.36 0.00 0.00 -0.45 0.00 0.00 34.95 33.56 1vs8 s ARG 29 CO 0.59 -0.31 0.00 0.54 -0.68 0.00 0.00 175.30 175.43 1vs8 n ARG 30 N -0.11 0.00 0.00 3.54 5.12 -1.26 -4.15 116.66 119.80 1vs8 n ARG 30 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1vs8 n ARG 30 Cb 0.63 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.93 1vs8 n ARG 30 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1vs8 n ILE 31 N -1.16 0.00 -0.08 0.55 2.08 -1.26 -4.62 119.36 114.87 1vs8 n ILE 31 Ca 0.00 0.44 0.24 0.00 0.56 0.00 0.00 62.75 64.00 1vs8 n ILE 31 Cb 0.00 -1.44 0.71 0.00 -0.75 0.00 0.00 39.64 38.17 1vs8 n ILE 31 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1vs8 h GLY 32 N 0.00 0.00 -4.69 7.39 0.00 -1.85 -3.22 103.07 100.70 1vs8 h GLY 32 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1vs8 h GLY 32 CO 0.00 0.00 0.39 1.57 0.00 0.00 0.00 176.54 178.50 1vs8 n HIS 33 N -4.24 1.70 -3.76 5.60 -0.00 -1.26 -4.66 115.22 108.60 1vs8 n HIS 33 Ca 0.14 0.58 -0.13 0.00 -0.00 0.00 0.00 57.72 58.31 1vs8 n HIS 33 Cb 0.79 -2.35 -0.09 0.00 -0.00 0.00 0.00 29.99 28.34 1vs8 n HIS 33 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1vs8 s THR 34 N -0.42 0.06 0.00 3.57 -1.32 -1.26 -2.86 115.64 113.40 1vs8 s THR 34 Ca 0.66 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1vs8 s THR 34 Cb -0.72 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 1vs8 s THR 34 CO 0.54 -0.27 0.00 0.52 -2.21 0.00 0.00 174.62 173.20 1vs8 n VAL 35 N 1.26 0.00 -3.47 5.08 0.31 -1.26 -4.97 118.33 115.29 1vs8 n VAL 35 Ca -0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.01 1vs8 n VAL 35 Cb 0.56 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.47 1vs8 n VAL 35 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1vs8 s GLU 36 N 1.75 1.00 0.00 5.55 2.12 -1.24 -4.03 118.70 123.86 1vs8 s GLU 36 Ca 0.00 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1vs8 s GLU 36 Cb 0.00 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.85 1vs8 s GLU 36 CO 0.00 -0.43 0.00 0.54 -0.54 0.00 0.00 175.26 174.83 1vs8 n ARG 37 N -0.22 0.00 -2.75 4.30 5.12 -1.20 -4.26 116.66 117.67 1vs8 n ARG 37 Ca -0.12 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.38 1vs8 n ARG 37 Cb 0.63 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.89 1vs8 n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1vs8 s GLU 38 N -0.08 4.57 -0.04 5.56 8.01 -0.29 -3.64 118.70 132.80 1vs8 s GLU 38 Ca 0.00 1.37 -0.03 0.00 0.01 0.00 0.00 54.97 56.32 1vs8 s GLU 38 Cb 0.00 -3.44 -0.11 0.00 -4.31 0.00 0.00 34.13 26.27 1vs8 s GLU 38 CO 0.00 0.01 2.79 -3.47 0.01 0.00 0.00 175.26 174.61 1vs8 n ASP 39 N 3.67 5.41 -4.79 -0.19 2.03 -1.22 -3.55 116.55 117.90 1vs8 n ASP 39 Ca 0.05 -2.51 -0.33 0.00 0.52 0.00 0.00 54.79 52.52 1vs8 n ASP 39 Cb 0.51 -1.27 0.03 0.00 -0.72 0.00 0.00 41.12 39.67 1vs8 n ASP 39 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1vs8 s THR 40 N 0.24 3.53 0.54 5.18 -1.32 -1.26 -4.75 115.64 117.81 1vs8 s THR 40 Ca 0.35 0.70 0.33 0.00 -1.21 0.00 0.00 61.69 61.86 1vs8 s THR 40 Cb 0.18 -3.24 0.50 0.00 -1.51 0.00 0.00 72.50 68.43 1vs8 s THR 40 CO -0.01 -0.45 1.87 -0.65 -2.21 0.00 0.00 174.62 173.17 1vs8 h PRO 41 N 0.16 0.01 0.14 7.08 0.11 -1.97 0.40 132.00 137.93 1vs8 h PRO 41 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1vs8 h PRO 41 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1vs8 h PRO 41 CO 0.56 0.01 -0.07 0.00 -0.21 0.00 0.00 178.00 178.29 1vs8 h ALA 42 N 1.52 -0.76 -0.44 -0.75 0.00 -1.95 -2.55 119.26 114.32 1vs8 h ALA 42 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1vs8 h ALA 42 Cb 1.84 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1vs8 h ALA 42 CO -0.01 -0.75 0.28 0.97 0.00 0.00 0.00 179.25 179.74 1vs8 h ILE 43 N -0.25 1.12 -0.66 0.00 -0.00 -1.75 0.46 117.51 116.44 1vs8 h ILE 43 Ca -0.02 -0.25 0.14 0.00 -0.00 0.00 0.00 64.86 64.72 1vs8 h ILE 43 Cb 0.15 0.49 -0.04 0.00 -0.00 0.00 0.00 36.82 37.42 1vs8 h ILE 43 CO 0.03 0.12 0.45 -0.09 -0.00 0.00 0.00 178.15 178.66 1vs8 h ARG 44 N 0.61 0.28 0.00 2.19 9.65 -0.24 0.13 114.38 127.00 1vs8 h ARG 44 Ca 0.16 -0.02 -0.29 0.00 -1.10 0.00 0.00 59.98 58.73 1vs8 h ARG 44 Cb -0.04 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 1vs8 h ARG 44 CO -0.03 0.19 -1.99 0.41 2.80 0.00 0.00 179.97 181.35 1vs8 n GLY 45 N -1.56 -1.03 0.37 2.80 0.00 -0.19 -3.90 105.19 101.69 1vs8 n GLY 45 Ca 0.12 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1vs8 n GLY 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1vs8 h MET 46 N 0.00 0.54 -0.14 1.61 -1.53 0.17 0.66 114.93 116.23 1vs8 h MET 46 Ca -0.37 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 55.78 1vs8 h MET 46 Cb 2.01 -0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 32.94 1vs8 h MET 46 CO 0.05 0.36 -0.19 0.82 0.14 0.00 0.00 176.91 178.08 1vs8 h ILE 47 N 0.55 1.36 -0.46 1.77 2.04 -1.24 -2.95 117.51 118.59 1vs8 h ILE 47 Ca 0.37 -1.40 0.13 0.00 1.00 0.00 0.00 64.86 64.96 1vs8 h ILE 47 Cb 0.67 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1vs8 h ILE 47 CO -0.14 0.41 0.41 0.78 0.00 0.00 0.00 178.15 179.62 1vs8 h ASN 48 N -0.01 0.00 0.02 1.72 2.35 -1.02 0.76 115.58 119.40 1vs8 h ASN 48 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1vs8 h ASN 48 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1vs8 h ASN 48 CO 0.05 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.82 1vs8 h ALA 49 N 1.62 -0.02 -0.49 -0.83 0.00 -1.13 -3.01 119.26 115.39 1vs8 h ALA 49 Ca 0.22 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1vs8 h ALA 49 Cb 1.04 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 1vs8 h ALA 49 CO -0.00 -0.21 0.24 0.28 0.00 0.00 0.00 179.25 179.56 1vs8 n VAL 50 N -4.81 2.03 0.00 0.00 0.31 -0.10 -4.58 118.33 111.18 1vs8 n VAL 50 Ca -0.09 -1.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.24 1vs8 n VAL 50 Cb 0.30 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1vs8 n VAL 50 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1vs8 n SER 51 N -0.15 0.00 -0.13 4.52 2.88 0.25 -1.88 113.62 119.10 1vs8 n SER 51 Ca 0.28 0.21 -0.25 0.00 -1.33 0.00 0.00 58.87 57.78 1vs8 n SER 51 Cb 1.04 -0.21 -0.11 0.00 -0.75 0.00 0.00 64.21 64.18 1vs8 n SER 51 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1vs8 n PHE 52 N -1.18 0.00 0.89 0.66 7.35 -1.26 -4.54 117.46 119.37 1vs8 n PHE 52 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 1vs8 n PHE 52 Cb 0.23 -0.99 0.23 0.00 0.35 0.00 0.00 39.48 39.30 1vs8 n PHE 52 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1vs8 n MET 53 N -3.86 1.87 -4.03 -4.13 0.00 -0.79 -4.87 117.12 101.31 1vs8 n MET 53 Ca -0.51 -1.33 -0.15 0.00 0.00 0.00 0.00 57.70 55.71 1vs8 n MET 53 Cb 0.92 -1.34 -0.15 0.00 0.00 0.00 0.00 33.22 32.66 1vs8 n MET 53 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1vs8 s VAL 54 N -1.57 0.25 -0.02 3.17 1.01 -0.93 0.08 120.40 122.39 1vs8 s VAL 54 Ca 0.28 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1vs8 s VAL 54 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 1vs8 s VAL 54 CO 0.21 0.09 -0.13 -0.54 0.00 0.00 0.00 175.10 174.73 1vs8 s LYS 55 N 0.15 1.11 -0.04 2.72 -0.14 -1.10 -4.73 119.74 117.70 1vs8 s LYS 55 Ca -0.01 -0.44 0.04 0.00 -1.36 0.00 0.00 55.97 54.19 1vs8 s LYS 55 Cb -0.04 -1.05 -0.05 0.00 -1.68 0.00 0.00 37.83 35.01 1vs8 s LYS 55 CO -0.00 0.24 0.02 1.33 -0.76 0.00 0.00 175.35 176.18 1vs8 n VAL 56 N 2.92 0.27 -2.96 3.17 0.24 -1.26 -2.78 118.33 117.93 1vs8 n VAL 56 Ca -0.15 -0.17 -0.44 0.00 -2.04 0.00 0.00 64.34 61.53 1vs8 n VAL 56 Cb 0.55 -0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 32.12 1vs8 n VAL 56 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1vs8 s GLU 57 N -2.12 3.49 0.00 7.34 4.04 -1.26 -4.78 118.70 125.40 1vs8 s GLU 57 Ca -0.02 -1.64 0.00 0.00 0.04 0.00 0.00 54.97 53.34 1vs8 s GLU 57 Cb 0.01 -4.73 0.00 0.00 0.02 0.00 0.00 34.13 29.43 1vs8 s GLU 57 CO 0.18 -1.73 0.33 0.39 -1.84 0.00 0.00 175.26 172.59