#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n ARG 3 N 0.00 0.00 -0.07 0.00 0.63 -1.26 -4.67 116.66 111.29 3i9b n ARG 3 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 3i9b n ARG 3 Cb 0.00 -0.57 -0.12 0.00 0.45 0.00 0.00 32.46 32.22 3i9b n ARG 3 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3i9b h LYS 4 N 0.00 0.03 -0.95 -0.14 1.63 -2.03 -3.08 116.57 112.03 3i9b h LYS 4 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3i9b h LYS 4 Cb 0.47 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3i9b h LYS 4 CO 0.00 1.02 0.00 0.00 -3.45 0.00 0.00 179.45 177.02 3i9b n ALA 5 N -2.99 2.40 -0.00 5.00 0.00 -1.26 -3.21 120.51 120.45 3i9b n ALA 5 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3i9b n ALA 5 Cb 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3i9b n ALA 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i9b n LEU 6 N 0.09 0.00 -0.07 0.00 0.00 -1.25 -4.60 117.00 111.17 3i9b n LEU 6 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 56.01 56.16 3i9b n LEU 6 Cb 0.26 0.00 0.84 0.00 0.00 0.00 0.00 43.42 44.52 3i9b n LEU 6 CO 0.00 0.00 1.05 2.30 0.00 0.00 0.00 177.39 180.74 3i9b n ILE 7 N 0.00 0.00 0.05 1.96 -5.35 -1.16 -3.56 119.36 111.30 3i9b n ILE 7 Ca 0.00 -0.04 -0.03 0.00 -0.27 0.00 0.00 62.75 62.41 3i9b n ILE 7 Cb 0.00 -0.33 -0.01 0.00 -1.74 0.00 0.00 39.64 37.56 3i9b n ILE 7 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3i9b h GLU 8 N 0.35 -0.18 0.00 6.28 4.57 -1.81 -3.31 114.58 120.48 3i9b h GLU 8 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3i9b h GLU 8 Cb 0.08 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3i9b h GLU 8 CO 0.00 -0.12 0.01 1.63 -1.18 0.00 0.00 179.01 179.35 3i9b n LYS 9 N -4.04 0.00 0.09 1.92 5.02 -1.23 -0.08 118.16 119.84 3i9b n LYS 9 Ca -0.02 0.21 0.07 0.00 -2.02 0.00 0.00 58.31 56.55 3i9b n LYS 9 Cb 0.08 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 3i9b n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9b h ALA 10 N 1.91 0.59 0.00 7.82 0.00 -1.70 -2.24 119.26 125.65 3i9b h ALA 10 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i9b h ALA 10 Cb 0.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i9b h ALA 10 CO 0.00 0.32 0.00 1.17 0.00 0.00 0.00 179.25 180.74 3i9b n LYS 11 N -2.81 1.55 -0.06 0.00 3.00 0.18 -4.59 118.16 115.43 3i9b n LYS 11 Ca -0.03 -1.07 -0.06 0.00 -0.00 0.00 0.00 58.31 57.16 3i9b n LYS 11 Cb 0.65 -0.91 -0.09 0.00 0.00 0.00 0.00 35.03 34.68 3i9b n LYS 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i9b n ARG 12 N -0.30 2.09 -1.01 1.64 0.63 0.88 -5.02 116.66 115.57 3i9b n ARG 12 Ca 0.00 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i9b n ARG 12 Cb 0.23 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 31.85 3i9b n ARG 12 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3i9b n THR 13 N -2.44 0.00 0.00 5.15 -2.24 -0.84 -4.89 114.28 109.02 3i9b n THR 13 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3i9b n THR 13 Cb 0.86 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3i9b n THR 13 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3i9b n PRO 14 N -0.31 0.00 0.00 -0.78 -0.04 -1.26 -4.86 135.00 127.75 3i9b n PRO 14 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i9b n PRO 14 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i9b n PRO 14 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i9b n LYS 15 N 0.00 0.00 -1.43 0.54 3.00 -1.26 -4.57 118.16 114.44 3i9b n LYS 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i9b n LYS 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3i9b n LYS 15 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i9b n PHE 16 N 0.22 -3.02 0.14 5.64 3.72 -1.26 -4.56 117.46 118.34 3i9b n PHE 16 Ca 0.00 1.63 0.12 0.00 -0.05 0.00 0.00 57.45 59.15 3i9b n PHE 16 Cb 0.00 -2.53 0.03 0.00 -0.94 0.00 0.00 39.48 36.04 3i9b n PHE 16 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3i9b h LYS 17 N 0.27 0.00 0.00 -1.08 2.10 -1.93 -3.36 116.57 112.57 3i9b h LYS 17 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 3i9b h LYS 17 Cb 0.60 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 3i9b h LYS 17 CO 0.00 0.00 -0.92 -0.39 -2.00 0.00 0.00 179.45 176.14 3i9b h VAL 18 N 0.00 0.47 0.00 0.07 -1.51 -1.93 -3.21 116.25 110.14 3i9b h VAL 18 Ca 0.00 -1.78 0.00 0.00 -1.23 0.00 0.00 66.70 63.69 3i9b h VAL 18 Cb 0.98 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 3i9b h VAL 18 CO 0.00 0.27 0.00 0.54 -1.23 0.00 0.00 177.57 177.15 3i9b n ARG 19 N -2.97 0.30 -2.96 5.19 1.74 -1.26 -4.66 116.66 112.04 3i9b n ARG 19 Ca -0.03 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 3i9b n ARG 19 Cb 0.72 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 3i9b n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9b s ALA 20 N -2.58 3.57 0.39 7.54 0.00 -1.21 -5.04 121.76 124.42 3i9b s ALA 20 Ca 0.20 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.09 3i9b s ALA 20 Cb 0.15 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 3i9b s ALA 20 CO 0.33 -0.72 0.03 1.52 0.00 0.00 0.00 175.76 176.92 3i9b s TYR 21 N 2.31 2.31 0.00 0.00 1.13 -1.26 -5.06 117.35 116.78 3i9b s TYR 21 Ca 0.34 -0.78 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 3i9b s TYR 21 Cb -0.16 -1.60 0.00 0.00 -1.10 0.00 0.00 41.96 39.10 3i9b s TYR 21 CO 0.10 0.29 0.00 0.25 -2.51 0.00 0.00 175.55 173.68 3i9b n THR 22 N -0.89 0.00 0.00 -3.49 -2.24 -1.26 -4.79 114.28 101.61 3i9b n THR 22 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3i9b n THR 22 Cb 0.67 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 3i9b n THR 22 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i9b n ARG 23 N -0.12 0.00 -2.36 -0.78 3.00 -1.26 -4.89 116.66 110.25 3i9b n ARG 23 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 3i9b n ARG 23 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i9b n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9b n VAL 25 N -2.35 0.00 0.97 0.00 0.31 -1.25 -4.56 118.33 111.45 3i9b n VAL 25 Ca 0.03 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.49 3i9b n VAL 25 Cb 0.55 -0.65 0.52 0.00 -0.91 0.00 0.00 33.84 33.34 3i9b n VAL 25 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i9b n ARG 26 N -2.25 0.02 0.00 5.55 0.63 -1.26 -4.87 116.66 114.48 3i9b n ARG 26 Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3i9b n ARG 26 Cb 0.47 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.86 3i9b n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9b n GLY 28 N 0.00 0.90 0.36 0.00 0.00 -1.26 -4.53 105.19 100.67 3i9b n GLY 28 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3i9b n GLY 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i9b n ARG 29 N -0.74 0.00 -0.82 1.61 3.00 -1.26 -3.77 116.66 114.68 3i9b n ARG 29 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 3i9b n ARG 29 Cb 0.00 -0.15 0.26 0.00 0.00 0.00 0.00 32.46 32.57 3i9b n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9b n ALA 30 N 0.34 4.14 -2.66 5.13 0.00 -1.26 -1.10 120.51 125.10 3i9b n ALA 30 Ca 0.03 -2.59 -0.09 0.00 0.00 0.00 0.00 53.44 50.78 3i9b n ALA 30 Cb -0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 3i9b n ALA 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i9b s ARG 31 N -3.04 0.80 -0.65 0.00 0.52 -1.26 -4.99 118.95 110.33 3i9b s ARG 31 Ca 0.49 -0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.83 3i9b s ARG 31 Cb 0.41 0.33 0.00 0.00 0.52 0.00 0.00 34.95 36.21 3i9b s ARG 31 CO 0.08 -0.25 0.48 -1.13 0.02 0.00 0.00 175.30 174.51 3i9b n SER 32 N 0.18 -3.84 -4.19 0.23 3.41 -1.26 -4.71 113.62 103.44 3i9b n SER 32 Ca -0.16 -0.75 -0.35 0.00 -0.26 0.00 0.00 58.87 57.35 3i9b n SER 32 Cb 0.61 -1.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.15 3i9b n SER 32 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i9b s VAL 33 N -2.70 2.95 -0.52 -3.33 1.01 -1.26 -2.69 120.40 113.85 3i9b s VAL 33 Ca 0.02 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.56 3i9b s VAL 33 Cb -0.00 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.82 3i9b s VAL 33 CO 0.72 0.08 1.31 -0.31 0.00 0.00 0.00 175.10 176.90 3i9b s TYR 34 N 1.30 2.47 0.28 5.22 1.51 -0.81 -4.91 117.35 122.41 3i9b s TYR 34 Ca -0.02 0.54 -0.05 0.00 -1.01 0.00 0.00 57.07 56.53 3i9b s TYR 34 Cb -0.18 -4.42 0.53 0.00 -0.11 0.00 0.00 41.96 37.79 3i9b s TYR 34 CO -0.03 -1.77 1.59 0.07 -1.11 0.00 0.00 175.55 174.30 3i9b h ARG 35 N 10.31 0.03 0.00 -0.62 0.11 -1.95 1.08 114.38 123.34 3i9b h ARG 35 Ca -0.26 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 3i9b h ARG 35 Cb 1.08 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3i9b h ARG 35 CO 1.15 0.02 0.00 0.34 0.10 0.00 0.00 179.97 181.58 3i9b n PHE 36 N -5.50 0.00 -0.02 4.08 -0.00 -1.26 -2.71 117.46 112.06 3i9b n PHE 36 Ca 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.57 3i9b n PHE 36 Cb 0.57 -0.33 0.15 0.00 -0.00 0.00 0.00 39.48 39.87 3i9b n PHE 36 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 3i9b h PHE 37 N 0.00 0.66 0.00 -5.13 0.04 -1.78 -3.47 116.94 107.26 3i9b h PHE 37 Ca 0.00 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.62 3i9b h PHE 37 Cb 0.00 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 37.99 3i9b h PHE 37 CO -0.41 0.79 0.00 0.41 -0.60 0.00 0.00 178.31 178.50 3i9b n GLY 38 N -0.29 0.57 3.49 -1.45 0.00 0.36 -5.04 105.19 102.83 3i9b n GLY 38 Ca -0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3i9b n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9b s LEU 39 N 0.00 1.98 0.37 0.99 1.43 -1.25 -3.85 118.68 118.35 3i9b s LEU 39 Ca 0.00 -1.64 0.01 0.00 -1.03 0.00 0.00 54.13 51.46 3i9b s LEU 39 Cb 0.00 -0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.10 3i9b s LEU 39 CO 0.00 -0.90 0.58 0.00 0.23 0.00 0.00 176.35 176.25 3i9b h ARG 41 N 0.66 0.00 0.15 0.00 0.11 -1.79 -0.22 114.38 113.29 3i9b h ARG 41 Ca -0.49 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.59 3i9b h ARG 41 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3i9b h ARG 41 CO 0.60 0.00 -0.07 0.82 0.10 0.00 0.00 179.97 181.41 3i9b h ILE 42 N 0.00 0.33 0.07 0.08 1.08 -1.93 -0.92 117.51 116.21 3i9b h ILE 42 Ca 0.42 -1.03 0.01 0.00 -0.39 0.00 0.00 64.86 63.87 3i9b h ILE 42 Cb 1.76 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 3i9b h ILE 42 CO -0.00 0.10 -0.14 0.00 -0.69 0.00 0.00 178.15 177.41 3i9b h LEU 44 N -0.28 0.51 0.25 0.00 5.85 -1.16 0.16 115.31 120.64 3i9b h LEU 44 Ca 0.03 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3i9b h LEU 44 Cb 0.30 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3i9b h LEU 44 CO -0.09 0.08 -0.12 -0.09 -0.34 0.00 0.00 178.44 177.88 3i9b h ARG 45 N 0.44 -0.33 0.22 1.25 2.43 0.54 -2.50 114.38 116.43 3i9b h ARG 45 Ca 0.62 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.80 3i9b h ARG 45 Cb 1.46 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.08 3i9b h ARG 45 CO -0.36 -0.07 -0.14 0.93 -1.51 0.00 0.00 179.97 178.82 3i9b h GLU 46 N -0.56 -0.33 -0.95 0.20 5.08 0.19 -3.02 114.58 115.19 3i9b h GLU 46 Ca -0.03 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.57 3i9b h GLU 46 Cb 0.41 0.07 -0.18 0.00 0.50 0.00 0.00 28.75 29.56 3i9b h GLU 46 CO 0.06 -0.22 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.69 3i9b h LEU 47 N -0.34 -0.65 -0.78 1.33 3.38 -1.04 -1.70 115.31 115.51 3i9b h LEU 47 Ca -0.03 0.28 0.07 0.00 0.09 0.00 0.00 57.88 58.29 3i9b h LEU 47 Cb 0.27 0.52 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 3i9b h LEU 47 CO 0.03 -0.32 -0.56 0.00 0.09 0.00 0.00 178.44 177.68 3i9b h ALA 48 N 1.95 -0.60 -0.71 1.53 0.00 -1.31 0.28 119.26 120.39 3i9b h ALA 48 Ca 0.52 0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.68 3i9b h ALA 48 Cb 0.95 1.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.98 3i9b h ALA 48 CO -0.93 -0.96 0.49 0.45 0.00 0.00 0.00 179.25 178.30 3i9b h HIS 49 N -0.12 0.23 0.00 0.00 3.86 -1.28 0.17 115.15 118.01 3i9b h HIS 49 Ca 0.13 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3i9b h HIS 49 Cb 0.45 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.85 3i9b h HIS 49 CO -0.93 0.08 0.00 1.63 0.86 0.00 0.00 177.93 179.57 3i9b n LYS 50 N -4.41 0.80 -0.47 2.45 4.76 0.96 -4.86 118.16 117.39 3i9b n LYS 50 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 3i9b n LYS 50 Cb 0.64 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 3i9b n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i9b n GLY 51 N 0.42 0.00 0.64 0.72 0.00 0.05 -4.71 105.19 102.30 3i9b n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i9b n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i9b n GLN 52 N -1.20 0.73 -3.73 1.61 6.02 -1.24 -4.55 117.38 115.03 3i9b n GLN 52 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 3i9b n GLN 52 Cb 0.05 -1.30 -0.17 0.00 1.02 0.00 0.00 30.24 29.84 3i9b n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i9b s LEU 53 N 0.00 0.78 0.27 1.08 1.43 -1.26 -4.96 118.68 116.02 3i9b s LEU 53 Ca 0.00 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 3i9b s LEU 53 Cb 0.00 -0.47 -0.11 0.00 0.03 0.00 0.00 46.19 45.64 3i9b s LEU 53 CO 0.00 -0.26 1.58 -2.84 0.23 0.00 0.00 176.35 175.06 3i9b s PRO 54 N 1.96 4.15 0.00 1.29 0.02 -1.26 -2.95 135.00 138.20 3i9b s PRO 54 Ca 0.02 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3i9b s PRO 54 Cb -0.15 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3i9b s PRO 54 CO -0.07 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 3i9b n GLY 55 N 2.36 2.01 3.73 0.52 0.00 -1.26 -4.97 105.19 107.59 3i9b n GLY 55 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3i9b n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9b s VAL 56 N -1.29 3.49 0.20 1.61 1.01 -1.15 -5.02 120.40 119.25 3i9b s VAL 56 Ca 0.00 1.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.98 3i9b s VAL 56 Cb 0.00 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.65 3i9b s VAL 56 CO 0.00 0.17 0.61 -0.60 0.00 0.00 0.00 175.10 175.29 3i9b s ARG 57 N -0.00 1.44 0.00 2.72 3.52 -1.26 -4.99 118.95 120.38 3i9b s ARG 57 Ca 0.55 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 55.15 3i9b s ARG 57 Cb -0.34 0.58 -0.07 0.00 -1.56 0.00 0.00 34.95 33.57 3i9b s ARG 57 CO 0.36 -0.64 1.62 0.15 -0.81 0.00 0.00 175.30 175.99 3i9b s LYS 58 N -3.82 4.20 -1.02 5.12 -0.14 -1.26 -4.91 119.74 117.90 3i9b s LYS 58 Ca 0.06 2.22 -0.08 0.00 -1.36 0.00 0.00 55.97 56.81 3i9b s LYS 58 Cb -0.02 -3.79 -0.12 0.00 -1.68 0.00 0.00 37.83 32.22 3i9b s LYS 58 CO -0.05 -0.77 2.88 0.00 -0.76 0.00 0.00 175.35 176.65 3i9b n ALA 59 N 6.31 6.48 -2.13 5.17 0.00 -1.26 -4.94 120.51 130.14 3i9b n ALA 59 Ca 0.16 -2.67 -0.42 0.00 0.00 0.00 0.00 53.44 50.51 3i9b n ALA 59 Cb 0.42 -3.00 -0.03 0.00 0.00 0.00 0.00 19.45 16.85 3i9b n ALA 59 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i9b s SER 60 N 2.40 6.76 0.00 0.00 0.01 -1.26 -5.37 113.70 116.24 3i9b s SER 60 Ca 0.61 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.99 3i9b s SER 60 Cb 0.19 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.88 3i9b s SER 60 CO -0.04 -0.85 0.00 -2.67 0.41 0.00 0.00 173.24 170.09