#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LYS 2 N 0.00 0.94 -1.15 0.00 3.00 -1.26 -5.01 118.16 114.68 3i20 n LYS 2 Ca 0.00 0.05 0.08 0.00 -0.00 0.00 0.00 58.31 58.45 3i20 n LYS 2 Cb 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 35.03 33.71 3i20 n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i20 n THR 3 N -2.74 -0.85 -3.65 3.15 -2.24 -1.26 -4.86 114.28 101.83 3i20 n THR 3 Ca -0.22 0.66 0.02 0.00 -2.27 0.00 0.00 64.05 62.24 3i20 n THR 3 Cb 0.78 -1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 3i20 n THR 3 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3i20 s ILE 4 N -4.68 0.00 -0.11 2.28 2.07 -0.78 -4.77 121.20 115.20 3i20 s ILE 4 Ca 0.00 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.07 3i20 s ILE 4 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3i20 s ILE 4 CO 0.00 0.00 0.45 -0.54 -1.91 0.00 0.00 174.94 172.94 3i20 s LYS 5 N 0.91 4.31 0.02 3.50 3.01 -0.53 -0.43 119.74 130.52 3i20 s LYS 5 Ca -0.06 0.41 0.05 0.00 -1.01 0.00 0.00 55.97 55.36 3i20 s LYS 5 Cb -0.02 -3.42 -0.03 0.00 -1.01 0.00 0.00 37.83 33.34 3i20 s LYS 5 CO -0.10 0.20 -0.14 0.42 0.51 0.00 0.00 175.35 176.24 3i20 s ILE 6 N 0.49 3.10 0.01 2.17 1.01 0.17 -0.62 121.20 127.53 3i20 s ILE 6 Ca 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3i20 s ILE 6 Cb -0.15 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 3i20 s ILE 6 CO 0.10 0.39 -0.03 -0.89 0.00 0.00 0.00 174.94 174.51 3i20 s THR 7 N -0.93 0.16 -0.23 2.92 2.01 0.35 0.70 115.64 120.62 3i20 s THR 7 Ca 0.15 -0.51 0.23 0.00 0.31 0.00 0.00 61.69 61.88 3i20 s THR 7 Cb -0.11 -0.22 0.28 0.00 0.01 0.00 0.00 72.50 72.46 3i20 s THR 7 CO 0.05 -0.22 1.66 -0.61 -0.69 0.00 0.00 174.62 174.81 3i20 h GLN 8 N 5.36 0.00 0.00 4.92 4.15 -1.84 0.29 115.11 127.99 3i20 h GLN 8 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.13 3i20 h GLN 8 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3i20 h GLN 8 CO 0.46 0.13 0.00 -2.37 -1.93 0.00 0.00 178.83 175.12 3i20 n THR 9 N -3.16 0.00 -3.89 2.39 5.66 -1.26 -4.11 114.28 109.91 3i20 n THR 9 Ca 0.03 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.92 3i20 n THR 9 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 3i20 n THR 9 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3i20 s ARG 10 N 0.00 0.54 0.84 1.09 3.52 -1.26 -4.80 118.95 118.87 3i20 s ARG 10 Ca 0.00 -0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 54.89 3i20 s ARG 10 Cb 0.00 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.59 3i20 s ARG 10 CO 0.00 -0.13 0.39 0.45 -0.81 0.00 0.00 175.30 175.19 3i20 n SER 11 N 1.13 -1.92 -0.91 -2.12 2.88 -1.26 -4.77 113.62 106.65 3i20 n SER 11 Ca -0.21 0.45 0.07 0.00 -1.33 0.00 0.00 58.87 57.85 3i20 n SER 11 Cb 0.57 -1.18 0.22 0.00 -0.75 0.00 0.00 64.21 63.07 3i20 n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i20 n ALA 12 N -2.93 2.45 -0.14 -1.46 0.00 -1.26 -4.83 120.51 112.34 3i20 n ALA 12 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3i20 n ALA 12 Cb 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3i20 n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i20 n ILE 13 N 0.61 0.00 1.03 0.00 5.41 -1.26 -3.98 119.36 121.17 3i20 n ILE 13 Ca 0.17 0.72 0.05 0.00 1.00 0.00 0.00 62.75 64.70 3i20 n ILE 13 Cb 0.59 -1.62 0.32 0.00 -0.71 0.00 0.00 39.64 38.22 3i20 n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i20 n GLY 14 N 1.19 -0.52 3.77 7.39 0.00 -1.26 -4.88 105.19 110.89 3i20 n GLY 14 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3i20 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i20 s ARG 15 N -2.00 2.00 0.57 1.61 3.00 -1.26 -5.01 118.95 117.87 3i20 s ARG 15 Ca 0.16 0.85 -0.17 0.00 0.00 0.00 0.00 55.73 56.56 3i20 s ARG 15 Cb 0.07 -1.89 -0.05 0.00 0.00 0.00 0.00 34.95 33.09 3i20 s ARG 15 CO 0.13 -1.73 1.08 -0.51 0.00 0.00 0.00 175.30 174.26 3i20 s LEU 16 N -5.90 3.62 0.23 2.53 1.43 -1.26 -4.85 118.68 114.47 3i20 s LEU 16 Ca 0.61 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 55.60 3i20 s LEU 16 Cb -0.16 -4.55 0.27 0.00 0.03 0.00 0.00 46.19 41.78 3i20 s LEU 16 CO 0.56 -1.17 1.85 -0.65 0.23 0.00 0.00 176.35 177.16 3i20 h PRO 17 N 0.80 0.90 0.43 1.29 0.11 -1.98 -1.64 132.00 131.90 3i20 h PRO 17 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3i20 h PRO 17 Cb 1.23 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3i20 h PRO 17 CO 0.57 0.60 -0.36 0.87 -0.21 0.00 0.00 178.00 179.47 3i20 h LYS 18 N 0.93 -0.76 -0.98 1.05 1.57 -1.99 0.92 116.57 117.31 3i20 h LYS 18 Ca 0.34 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.31 3i20 h LYS 18 Cb 0.11 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.44 3i20 h LYS 18 CO -0.15 -0.51 -0.40 0.72 -0.57 0.00 0.00 179.45 178.54 3i20 n HIS 19 N -5.48 -0.02 0.18 -1.35 8.25 -0.74 0.03 115.22 116.09 3i20 n HIS 19 Ca -0.11 1.21 -0.16 0.00 -0.26 0.00 0.00 57.72 58.40 3i20 n HIS 19 Cb 0.37 -0.83 -0.08 0.00 1.12 0.00 0.00 29.99 30.57 3i20 n HIS 19 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3i20 h LYS 20 N 0.00 -0.76 -0.85 -0.41 1.57 -0.83 -1.84 116.57 113.45 3i20 h LYS 20 Ca 0.32 0.05 0.25 0.00 -1.87 0.00 0.00 60.65 59.40 3i20 h LYS 20 Cb 0.56 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3i20 h LYS 20 CO -0.96 -0.51 0.75 0.00 -0.57 0.00 0.00 179.45 178.16 3i20 h ALA 21 N -0.44 2.70 0.01 3.86 0.00 0.21 0.23 119.26 125.83 3i20 h ALA 21 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3i20 h ALA 21 Cb 0.75 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3i20 h ALA 21 CO -0.17 -1.18 -0.24 1.15 0.00 0.00 0.00 179.25 178.80 3i20 h THR 22 N 0.00 1.58 -0.72 0.00 2.02 -0.30 -2.47 112.91 113.02 3i20 h THR 22 Ca 0.40 -2.04 0.14 0.00 0.77 0.00 0.00 66.41 65.69 3i20 h THR 22 Cb 1.89 2.89 -0.14 0.00 -1.74 0.00 0.00 68.15 71.06 3i20 h THR 22 CO -0.00 0.55 -0.23 -0.07 0.37 0.00 0.00 175.52 176.14 3i20 h LEU 23 N -0.58 -0.84 0.13 2.58 -0.00 0.15 0.11 115.31 116.86 3i20 h LEU 23 Ca -0.03 0.23 0.01 0.00 -0.00 0.00 0.00 57.88 58.09 3i20 h LEU 23 Cb 1.04 0.50 -0.05 0.00 -0.00 0.00 0.00 40.66 42.16 3i20 h LEU 23 CO 0.05 -0.26 -0.50 0.25 -0.00 0.00 0.00 178.44 177.97 3i20 h LEU 24 N -0.04 -1.51 -1.69 1.67 6.46 -1.26 0.16 115.31 119.11 3i20 h LEU 24 Ca 0.33 0.16 0.21 0.00 -0.12 0.00 0.00 57.88 58.46 3i20 h LEU 24 Cb 0.55 0.56 -0.05 0.00 -0.73 0.00 0.00 40.66 40.99 3i20 h LEU 24 CO -0.76 -0.55 0.58 1.23 -0.62 0.00 0.00 178.44 178.32 3i20 h GLY 25 N -0.74 0.55 2.00 3.75 0.00 -0.85 1.26 103.07 109.03 3i20 h GLY 25 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3i20 h GLY 25 CO -0.27 -0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.31 3i20 n LEU 26 N -4.43 0.25 -3.66 3.11 4.77 0.41 -4.93 117.00 112.51 3i20 n LEU 26 Ca 0.18 0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 56.49 3i20 n LEU 26 Cb 0.75 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 3i20 n LEU 26 CO 0.33 -0.22 -0.03 0.61 -1.33 0.00 0.00 177.39 176.75 3i20 n GLY 27 N 0.66 -0.31 3.40 -0.72 0.00 0.43 -5.00 105.19 103.65 3i20 n GLY 27 Ca 0.05 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3i20 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i20 s LEU 28 N -6.65 3.16 -0.22 0.99 1.43 -1.16 -4.91 118.68 111.32 3i20 s LEU 28 Ca 0.03 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 3i20 s LEU 28 Cb -0.02 -1.81 -0.15 0.00 0.03 0.00 0.00 46.19 44.24 3i20 s LEU 28 CO 0.80 0.02 -0.01 0.54 0.23 0.00 0.00 176.35 177.92 3i20 n ARG 29 N 4.54 0.56 -4.07 1.70 5.12 -1.26 -4.74 116.66 118.51 3i20 n ARG 29 Ca -0.17 0.47 -0.09 0.00 -1.93 0.00 0.00 57.85 56.12 3i20 n ARG 29 Cb 0.51 -1.65 -0.09 0.00 -1.16 0.00 0.00 32.46 30.07 3i20 n ARG 29 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i20 s ARG 30 N -2.42 0.91 0.15 5.56 3.00 -1.26 -5.08 118.95 119.82 3i20 s ARG 30 Ca -0.30 -1.29 -0.33 0.00 0.00 0.00 0.00 55.73 53.80 3i20 s ARG 30 Cb 0.08 0.28 -0.13 0.00 0.00 0.00 0.00 34.95 35.17 3i20 s ARG 30 CO 0.52 -0.27 1.64 0.44 0.00 0.00 0.00 175.30 177.63 3i20 n ILE 31 N -0.08 0.05 -1.99 1.52 -5.35 -1.26 -2.01 119.36 110.24 3i20 n ILE 31 Ca -0.08 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 3i20 n ILE 31 Cb 0.63 -1.67 0.00 0.00 -1.74 0.00 0.00 39.64 36.86 3i20 n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i20 n GLY 32 N 3.62 0.39 0.15 3.28 0.00 -1.26 -4.87 105.19 106.49 3i20 n GLY 32 Ca 0.17 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 3i20 n GLY 32 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i20 h HIS 33 N 0.00 0.60 -3.22 1.61 2.76 -1.75 -3.45 115.15 111.71 3i20 h HIS 33 Ca 0.00 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 3i20 h HIS 33 Cb 0.99 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.86 3i20 h HIS 33 CO 0.00 1.03 -0.76 2.41 -1.30 0.00 0.00 177.93 179.31 3i20 n THR 34 N -4.31 -4.74 -3.77 6.26 -1.04 -1.21 -4.96 114.28 100.52 3i20 n THR 34 Ca -0.08 2.08 -0.10 0.00 -2.04 0.00 0.00 64.05 63.91 3i20 n THR 34 Cb 0.56 -2.90 -0.05 0.00 -1.82 0.00 0.00 70.33 66.13 3i20 n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i20 s VAL 35 N -2.30 0.04 -0.22 12.58 0.11 0.22 -4.93 120.40 125.89 3i20 s VAL 35 Ca 0.00 -0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 3i20 s VAL 35 Cb 0.00 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 3i20 s VAL 35 CO 0.00 -0.19 -0.06 -1.61 -3.33 0.00 0.00 175.10 169.91 3i20 s GLU 36 N -3.88 3.24 0.07 1.54 2.02 -1.26 0.41 118.70 120.83 3i20 s GLU 36 Ca 0.10 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.44 3i20 s GLU 36 Cb 0.00 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 3i20 s GLU 36 CO -0.04 -0.24 -0.16 1.03 0.02 0.00 0.00 175.26 175.87 3i20 s ARG 37 N 1.44 0.97 1.02 1.61 3.00 0.43 -4.86 118.95 122.56 3i20 s ARG 37 Ca 0.05 -0.94 -0.14 0.00 0.00 0.00 0.00 55.73 54.69 3i20 s ARG 37 Cb -0.15 -1.04 0.09 0.00 0.00 0.00 0.00 34.95 33.86 3i20 s ARG 37 CO -0.04 0.24 0.39 0.39 0.00 0.00 0.00 175.30 176.28 3i20 n GLU 38 N 1.47 -0.92 -1.42 3.54 4.71 -1.26 -1.87 120.64 124.88 3i20 n GLU 38 Ca -0.20 -0.23 -0.33 0.00 -0.01 0.00 0.00 57.16 56.39 3i20 n GLU 38 Cb 0.54 -1.88 0.07 0.00 -1.01 0.00 0.00 31.44 29.17 3i20 n GLU 38 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3i20 n ASP 39 N -2.00 7.27 -4.77 1.62 -0.08 -1.26 -4.67 116.55 112.66 3i20 n ASP 39 Ca 0.05 -3.78 -0.32 0.00 -1.51 0.00 0.00 54.79 49.22 3i20 n ASP 39 Cb 0.56 -0.89 0.06 0.00 2.34 0.00 0.00 41.12 43.19 3i20 n ASP 39 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3i20 s THR 40 N -4.77 3.26 -0.84 5.18 -1.32 -1.26 -4.90 115.64 110.98 3i20 s THR 40 Ca 0.63 0.53 0.25 0.00 -1.21 0.00 0.00 61.69 61.89 3i20 s THR 40 Cb 0.50 -3.04 0.24 0.00 -1.51 0.00 0.00 72.50 68.68 3i20 s THR 40 CO -0.00 -0.41 1.77 -2.65 -2.21 0.00 0.00 174.62 171.12 3i20 n PRO 41 N -2.74 0.11 -0.02 7.08 -0.02 -1.26 -1.84 135.00 136.31 3i20 n PRO 41 Ca 0.10 0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 3i20 n PRO 41 Cb 0.52 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.25 3i20 n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i20 h ALA 42 N 2.66 -0.01 0.00 3.55 0.00 -1.97 -0.76 119.26 122.72 3i20 h ALA 42 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i20 h ALA 42 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i20 h ALA 42 CO 0.00 -0.22 0.00 -0.84 0.00 0.00 0.00 179.25 178.19 3i20 h ILE 43 N -0.59 0.00 -0.18 0.00 -0.00 -1.88 -2.85 117.51 112.01 3i20 h ILE 43 Ca -0.00 -0.83 -0.21 0.00 -0.00 0.00 0.00 64.86 63.83 3i20 h ILE 43 Cb 0.57 1.82 0.00 0.00 -0.00 0.00 0.00 36.82 39.22 3i20 h ILE 43 CO 0.00 0.00 -0.70 -0.09 -0.00 0.00 0.00 178.15 177.36 3i20 h ARG 44 N 0.00 0.75 -0.74 0.16 9.65 -1.39 -2.43 114.38 120.39 3i20 h ARG 44 Ca 0.00 -0.57 0.14 0.00 -1.10 0.00 0.00 59.98 58.45 3i20 h ARG 44 Cb 0.89 0.10 -0.10 0.00 -1.39 0.00 0.00 29.97 29.47 3i20 h ARG 44 CO 0.00 1.19 0.27 0.78 2.80 0.00 0.00 179.97 185.00 3i20 h GLY 45 N 0.72 1.09 0.80 2.80 0.00 -0.90 -0.81 103.07 106.77 3i20 h GLY 45 Ca -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3i20 h GLY 45 CO 0.14 -0.12 0.01 -0.33 0.00 0.00 0.00 176.54 176.25 3i20 h MET 46 N 0.40 0.25 -0.98 4.80 2.86 -1.48 -2.53 114.93 118.25 3i20 h MET 46 Ca 0.41 -0.07 0.19 0.00 -2.06 0.00 0.00 59.70 58.17 3i20 h MET 46 Cb 0.63 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.15 3i20 h MET 46 CO -0.42 0.46 0.58 0.82 1.06 0.00 0.00 176.91 179.41 3i20 h ILE 47 N 0.02 0.67 -0.17 -1.22 2.04 -0.67 0.21 117.51 118.39 3i20 h ILE 47 Ca 0.04 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3i20 h ILE 47 Cb 0.33 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3i20 h ILE 47 CO 0.01 0.13 0.03 -1.13 0.00 0.00 0.00 178.15 177.18 3i20 h ASN 48 N 0.71 0.26 -0.61 1.72 -1.24 -1.28 0.01 115.58 115.15 3i20 h ASN 48 Ca 0.58 -0.25 0.10 0.00 0.71 0.00 0.00 56.30 57.43 3i20 h ASN 48 Cb 0.93 -0.07 -0.11 0.00 0.73 0.00 0.00 38.32 39.80 3i20 h ASN 48 CO -0.40 0.45 -0.39 0.00 -1.29 0.00 0.00 177.43 175.79 3i20 h ALA 49 N 0.82 -0.19 -0.87 1.57 0.00 -0.15 0.28 119.26 120.73 3i20 h ALA 49 Ca 0.05 0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.74 3i20 h ALA 49 Cb 0.30 0.89 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 3i20 h ALA 49 CO 0.00 -0.76 0.46 1.33 0.00 0.00 0.00 179.25 180.28 3i20 n VAL 50 N -5.42 3.08 -0.31 0.00 0.24 -0.91 -4.73 118.33 110.27 3i20 n VAL 50 Ca 0.03 -1.79 0.13 0.00 -2.04 0.00 0.00 64.34 60.67 3i20 n VAL 50 Cb 0.35 -0.41 0.27 0.00 -1.47 0.00 0.00 33.84 32.59 3i20 n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i20 h SER 51 N 1.86 -0.32 0.00 -1.34 4.64 0.16 0.26 113.55 118.82 3i20 h SER 51 Ca 0.45 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 3i20 h SER 51 Cb 2.61 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 65.10 3i20 h SER 51 CO 0.92 -0.28 0.05 2.22 -0.87 0.00 0.00 176.83 178.87 3i20 n PHE 52 N -5.39 0.00 -2.79 4.77 -1.74 -1.26 -2.74 117.46 108.30 3i20 n PHE 52 Ca 0.21 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 57.10 3i20 n PHE 52 Cb 0.71 -0.24 0.07 0.00 1.52 0.00 0.00 39.48 41.54 3i20 n PHE 52 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3i20 n MET 53 N -1.20 1.62 -3.71 3.97 0.00 0.08 -4.94 117.12 112.94 3i20 n MET 53 Ca 0.00 -2.90 -0.13 0.00 0.00 0.00 0.00 57.70 54.67 3i20 n MET 53 Cb 0.05 -1.06 -0.07 0.00 0.00 0.00 0.00 33.22 32.13 3i20 n MET 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 3i20 s VAL 54 N -2.75 0.06 0.06 3.17 -7.23 -1.11 -4.19 120.40 108.41 3i20 s VAL 54 Ca 0.22 -0.48 0.09 0.00 -1.81 0.00 0.00 61.98 60.00 3i20 s VAL 54 Cb 0.35 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 3i20 s VAL 54 CO -0.06 -0.26 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.47 3i20 s LYS 55 N -2.00 1.80 -0.04 4.82 2.20 0.09 -4.94 119.74 121.68 3i20 s LYS 55 Ca -0.08 -1.12 0.02 0.00 -0.36 0.00 0.00 55.97 54.42 3i20 s LYS 55 Cb -0.02 -2.02 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 3i20 s LYS 55 CO 0.01 0.51 -0.07 0.54 -0.36 0.00 0.00 175.35 175.97 3i20 s VAL 56 N -0.88 0.70 -0.11 4.02 0.11 -1.26 -0.50 120.40 122.48 3i20 s VAL 56 Ca 0.13 -0.26 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 3i20 s VAL 56 Cb -0.10 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3i20 s VAL 56 CO 0.04 0.25 -0.23 -1.61 -3.33 0.00 0.00 175.10 170.21 3i20 s GLU 57 N 0.58 3.06 0.00 1.54 2.02 0.21 -5.01 118.70 121.10 3i20 s GLU 57 Ca -0.09 -0.87 0.10 0.00 0.02 0.00 0.00 54.97 54.14 3i20 s GLU 57 Cb -0.12 -2.34 0.08 0.00 0.10 0.00 0.00 34.13 31.85 3i20 s GLU 57 CO 0.01 0.14 0.82 -0.85 0.02 0.00 0.00 175.26 175.40