#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmm s GLN 2 N 0.00 4.47 0.18 2.12 2.00 -1.26 -1.81 119.66 125.36 2rmm s GLN 2 Ca 0.00 1.85 0.09 0.00 -2.00 0.00 0.00 55.36 55.30 2rmm s GLN 2 Cb 0.00 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.50 2rmm s GLN 2 CO 0.00 -0.14 -0.18 0.71 -0.50 0.00 0.00 175.29 175.18 2rmm s TYR 3 N 0.27 1.85 0.10 1.67 2.02 0.24 -4.85 117.35 118.64 2rmm s TYR 3 Ca 0.55 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 2rmm s TYR 3 Cb -0.32 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 2rmm s TYR 3 CO 0.34 0.37 -0.11 0.21 -1.57 0.00 0.00 175.55 174.80 2rmm s LYS 4 N -3.05 0.85 -0.13 -0.62 2.20 -0.22 -1.24 119.74 117.53 2rmm s LYS 4 Ca 0.19 -1.13 -0.02 0.00 -0.36 0.00 0.00 55.97 54.64 2rmm s LYS 4 Cb -0.05 -0.58 0.04 0.00 -1.51 0.00 0.00 37.83 35.74 2rmm s LYS 4 CO 0.07 0.10 0.01 -1.17 -0.36 0.00 0.00 175.35 174.00 2rmm s LEU 5 N -2.36 0.90 -0.16 5.43 1.98 0.55 -0.24 118.68 124.77 2rmm s LEU 5 Ca 0.05 -0.43 -0.17 0.00 -2.89 0.00 0.00 54.13 50.68 2rmm s LEU 5 Cb -0.04 -0.54 -0.04 0.00 0.66 0.00 0.00 46.19 46.23 2rmm s LEU 5 CO 0.00 -0.24 0.46 -0.63 -1.89 0.00 0.00 176.35 174.06 2rmm s ILE 6 N 1.90 5.17 -0.25 6.68 1.01 0.26 -0.86 121.20 135.12 2rmm s ILE 6 Ca 0.02 0.87 -0.06 0.00 0.00 0.00 0.00 60.65 61.48 2rmm s ILE 6 Cb -0.14 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2rmm s ILE 6 CO -0.07 0.27 0.05 -0.22 0.00 0.00 0.00 174.94 174.97 2rmm s LEU 7 N 1.06 3.38 -0.06 2.97 2.96 0.17 -0.89 118.68 128.27 2rmm s LEU 7 Ca 0.23 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 2rmm s LEU 7 Cb -0.15 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 2rmm s LEU 7 CO 0.09 -0.06 -0.25 0.20 -1.32 0.00 0.00 176.35 175.01 2rmm s ASN 8 N 1.56 3.07 0.00 3.68 0.01 0.40 -1.68 114.94 121.99 2rmm s ASN 8 Ca 0.06 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.69 2rmm s ASN 8 Cb -0.15 -0.88 0.00 0.00 0.41 0.00 0.00 41.25 40.63 2rmm s ASN 8 CO 0.02 0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.46 2rmm n GLY 9 N 2.98 -0.75 0.36 0.66 0.00 -1.22 -2.93 105.19 104.30 2rmm n GLY 9 Ca -0.18 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 44.97 2rmm n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rmm n LYS 10 N -0.05 0.92 0.00 1.61 5.02 -1.26 -4.44 118.16 119.96 2rmm n LYS 10 Ca 0.00 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 2rmm n LYS 10 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2rmm n LYS 10 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2rmm n THR 11 N -0.40 0.00 -3.73 -0.18 -2.24 -1.26 -5.08 114.28 101.39 2rmm n THR 11 Ca 0.09 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.73 2rmm n THR 11 Cb 0.43 -0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 2rmm n THR 11 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2rmm s LEU 12 N -2.03 0.44 0.02 3.22 2.96 -1.26 -5.18 118.68 116.84 2rmm s LEU 12 Ca 0.00 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 2rmm s LEU 12 Cb 0.00 1.46 -0.02 0.00 0.50 0.00 0.00 46.19 48.13 2rmm s LEU 12 CO 0.00 -0.23 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.23 2rmm s LYS 13 N -0.17 0.26 0.00 1.98 1.02 -1.26 -3.45 119.74 118.12 2rmm s LYS 13 Ca -0.03 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2rmm s LYS 13 Cb -0.03 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2rmm s LYS 13 CO 0.02 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 2rmm n GLY 14 N 1.89 -1.08 2.97 -3.33 0.00 -0.68 -5.00 105.19 99.96 2rmm n GLY 14 Ca -0.22 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 2rmm n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rmm s GLU 15 N -0.96 0.13 0.11 1.61 2.02 -1.26 -0.65 118.70 119.69 2rmm s GLU 15 Ca 0.00 0.38 0.03 0.00 0.02 0.00 0.00 54.97 55.40 2rmm s GLU 15 Cb 0.00 -0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.06 2rmm s GLU 15 CO 0.00 -0.14 -0.08 0.95 0.02 0.00 0.00 175.26 176.01 2rmm s THR 16 N 1.02 0.86 -0.08 3.63 -4.23 -0.04 -5.01 115.64 111.79 2rmm s THR 16 Ca -0.08 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.44 2rmm s THR 16 Cb -0.10 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.11 2rmm s THR 16 CO -0.05 -0.78 0.22 -0.89 -0.54 0.00 0.00 174.62 172.58 2rmm s THR 17 N -3.32 0.01 0.14 3.99 2.01 -1.26 -0.33 115.64 116.88 2rmm s THR 17 Ca 0.12 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 2rmm s THR 17 Cb 0.03 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2rmm s THR 17 CO -0.02 -0.03 0.13 0.28 -0.69 0.00 0.00 174.62 174.28 2rmm s THR 18 N -0.02 0.09 -0.17 -0.82 -1.32 -0.37 -5.01 115.64 108.02 2rmm s THR 18 Ca -0.01 -1.75 0.01 0.00 -1.21 0.00 0.00 61.69 58.72 2rmm s THR 18 Cb -0.02 -2.00 0.01 0.00 -1.51 0.00 0.00 72.50 68.98 2rmm s THR 18 CO 0.01 -0.39 -0.18 -0.70 -2.21 0.00 0.00 174.62 171.14 2rmm s GLU 19 N -4.03 3.09 0.18 7.08 2.12 -1.26 -0.59 118.70 125.29 2rmm s GLU 19 Ca 0.23 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.76 2rmm s GLU 19 Cb 0.06 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.82 2rmm s GLU 19 CO 0.02 -0.10 0.04 0.00 -0.54 0.00 0.00 175.26 174.68 2rmm s ALA 20 N 1.06 1.32 0.14 6.30 0.00 -0.75 -4.94 121.76 124.89 2rmm s ALA 20 Ca -0.01 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.19 2rmm s ALA 20 Cb -0.14 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2rmm s ALA 20 CO -0.06 -0.41 1.58 -0.24 0.00 0.00 0.00 175.76 176.64 2rmm h VAL 21 N 2.66 1.26 -3.72 0.00 3.04 -1.95 -2.05 116.25 115.49 2rmm h VAL 21 Ca -0.37 -1.09 -0.08 0.00 -1.01 0.00 0.00 66.70 64.16 2rmm h VAL 21 Cb 1.22 1.05 -0.11 0.00 -2.01 0.00 0.00 31.29 31.44 2rmm h VAL 21 CO 0.61 0.38 -0.18 -0.62 -1.01 0.00 0.00 177.57 176.74 2rmm s ASP 22 N -6.35 -0.06 0.51 3.17 2.15 -1.26 -4.63 116.67 110.20 2rmm s ASP 22 Ca -0.12 -0.87 0.27 0.00 0.43 0.00 0.00 52.55 52.26 2rmm s ASP 22 Cb 0.11 0.53 1.39 0.00 -0.30 0.00 0.00 42.92 44.65 2rmm s ASP 22 CO 0.82 -1.04 1.91 0.00 -0.17 0.00 0.00 175.17 176.69 2rmm h ALA 23 N 2.35 2.64 -0.04 3.66 0.00 -1.97 -0.74 119.26 125.16 2rmm h ALA 23 Ca -0.29 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 2rmm h ALA 23 Cb 1.25 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2rmm h ALA 23 CO 0.40 -0.87 -0.93 0.00 0.00 0.00 0.00 179.25 177.86 2rmm h ALA 24 N 1.61 0.28 -0.21 0.00 0.00 -1.97 -0.51 119.26 118.46 2rmm h ALA 24 Ca 0.39 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2rmm h ALA 24 Cb 1.42 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2rmm h ALA 24 CO -0.04 0.73 -0.19 1.15 0.00 0.00 0.00 179.25 180.91 2rmm h THR 25 N 0.37 1.32 -0.70 0.00 2.02 -1.63 0.19 112.91 114.49 2rmm h THR 25 Ca -0.09 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 2rmm h THR 25 Cb 1.56 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.66 2rmm h THR 25 CO 0.18 0.41 0.33 0.00 0.37 0.00 0.00 175.52 176.80 2rmm h ALA 26 N 0.66 1.26 -0.84 6.16 0.00 -1.26 0.02 119.26 125.26 2rmm h ALA 26 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2rmm h ALA 26 Cb 0.73 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2rmm h ALA 26 CO 0.05 0.57 0.40 1.49 0.00 0.00 0.00 179.25 181.75 2rmm h GLU 27 N 0.99 1.22 -0.28 0.00 4.81 -1.05 -0.52 114.58 119.75 2rmm h GLU 27 Ca 0.24 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2rmm h GLU 27 Cb 0.11 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2rmm h GLU 27 CO -0.03 0.94 0.03 -0.22 -0.73 0.00 0.00 179.01 179.00 2rmm h LYS 28 N 1.20 0.48 -0.01 1.92 3.64 -0.09 0.18 116.57 123.89 2rmm h LYS 28 Ca 0.29 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2rmm h LYS 28 Cb 0.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2rmm h LYS 28 CO -0.03 0.60 -0.07 0.28 -2.27 0.00 0.00 179.45 177.96 2rmm h VAL 29 N 0.29 0.82 -0.93 2.00 2.07 -0.91 -1.19 116.25 118.39 2rmm h VAL 29 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2rmm h VAL 29 Cb 0.37 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2rmm h VAL 29 CO 0.01 0.00 0.59 -0.26 0.02 0.00 0.00 177.57 177.93 2rmm h PHE 30 N -0.11 1.19 0.00 1.57 0.04 -1.04 -1.70 116.94 116.89 2rmm h PHE 30 Ca 0.03 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 2rmm h PHE 30 Cb 0.15 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 37.90 2rmm h PHE 30 CO -0.14 0.77 -0.06 0.87 -0.60 0.00 0.00 178.31 179.15 2rmm h LYS 31 N 1.27 0.00 -0.14 1.51 1.57 -0.77 -0.38 116.57 119.63 2rmm h LYS 31 Ca 0.34 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.99 2rmm h LYS 31 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2rmm h LYS 31 CO -0.07 0.06 -0.43 1.96 -0.57 0.00 0.00 179.45 180.40 2rmm h GLN 32 N 0.00 0.53 0.00 3.15 4.20 -0.31 -2.05 115.11 120.64 2rmm h GLN 32 Ca -0.00 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.23 2rmm h GLN 32 Cb 0.49 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2rmm h GLN 32 CO 0.01 1.01 -0.43 1.88 -0.67 0.00 0.00 178.83 180.63 2rmm h TYR 33 N 0.16 0.00 -0.09 2.96 -1.99 -1.24 -3.35 116.97 113.41 2rmm h TYR 33 Ca -0.01 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 2rmm h TYR 33 Cb 1.05 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.69 2rmm h TYR 33 CO 0.10 0.43 -0.59 1.19 -0.00 0.00 0.00 178.16 179.29 2rmm n PHE 34 N -3.73 0.34 0.35 4.88 3.72 -0.17 -4.84 117.46 118.00 2rmm n PHE 34 Ca -0.01 -1.51 -0.14 0.00 -0.05 0.00 0.00 57.45 55.74 2rmm n PHE 34 Cb 0.50 -0.25 -0.07 0.00 -0.94 0.00 0.00 39.48 38.72 2rmm n PHE 34 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2rmm h ASN 35 N 1.16 -0.77 0.00 4.37 -0.73 -1.51 -3.43 115.58 114.67 2rmm h ASN 35 Ca 0.02 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 2rmm h ASN 35 Cb 1.14 0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.91 2rmm h ASN 35 CO 0.10 -0.42 -0.05 -0.67 -0.37 0.00 0.00 177.43 176.03 2rmm n ASP 36 N -5.20 -0.17 0.12 1.15 2.03 -1.26 -4.49 116.55 108.73 2rmm n ASP 36 Ca -0.11 -0.83 0.04 0.00 0.52 0.00 0.00 54.79 54.41 2rmm n ASP 36 Cb 0.36 0.05 0.47 0.00 -0.72 0.00 0.00 41.12 41.28 2rmm n ASP 36 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2rmm h ASN 37 N 0.00 0.23 0.00 1.67 2.35 -1.88 -3.44 115.58 114.51 2rmm h ASN 37 Ca -0.10 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2rmm h ASN 37 Cb 0.77 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2rmm h ASN 37 CO -0.05 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.60 2rmm n GLY 38 N -1.24 0.00 0.19 2.83 0.00 -1.26 -5.08 105.19 100.64 2rmm n GLY 38 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2rmm n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2rmm h VAL 39 N 0.00 0.00 -7.11 1.61 2.07 -1.90 -3.47 116.25 107.46 2rmm h VAL 39 Ca 0.00 -0.45 -0.61 0.00 0.82 0.00 0.00 66.70 66.46 2rmm h VAL 39 Cb 0.00 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 29.42 2rmm h VAL 39 CO 0.00 0.00 -0.90 -0.67 0.02 0.00 0.00 177.57 176.02 2rmm n ASP 40 N -4.40 -1.36 -2.38 0.57 2.03 -1.26 -4.94 116.55 104.81 2rmm n ASP 40 Ca -0.05 -1.23 -0.03 0.00 0.52 0.00 0.00 54.79 54.00 2rmm n ASP 40 Cb 0.17 -1.56 0.01 0.00 -0.72 0.00 0.00 41.12 39.02 2rmm n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rmm n GLY 41 N -1.28 1.49 3.62 0.27 0.00 -1.26 -5.08 105.19 102.94 2rmm n GLY 41 Ca 0.05 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 2rmm n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rmm s GLU 42 N -2.50 4.01 0.14 1.61 2.12 -0.58 -4.86 118.70 118.65 2rmm s GLU 42 Ca 0.08 0.57 -0.17 0.00 0.36 0.00 0.00 54.97 55.81 2rmm s GLU 42 Cb -0.01 -3.70 -0.07 0.00 0.26 0.00 0.00 34.13 30.61 2rmm s GLU 42 CO 0.05 -0.57 0.60 -1.58 -0.54 0.00 0.00 175.26 173.22 2rmm s TRP 43 N 2.76 3.67 0.05 5.30 0.52 -1.26 -2.27 118.94 127.71 2rmm s TRP 43 Ca 0.30 1.19 -0.00 0.00 0.02 0.00 0.00 56.10 57.61 2rmm s TRP 43 Cb -0.15 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 2rmm s TRP 43 CO 0.11 0.45 -0.04 0.99 0.02 0.00 0.00 176.95 178.48 2rmm s THR 44 N -1.39 0.30 -0.01 2.01 2.01 -0.47 -4.99 115.64 113.10 2rmm s THR 44 Ca 0.37 -1.56 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 2rmm s THR 44 Cb -0.17 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2rmm s THR 44 CO 0.20 -0.81 0.03 -0.47 -0.69 0.00 0.00 174.62 172.87 2rmm s TYR 45 N -3.08 -0.01 -0.20 4.92 5.04 -1.26 -1.17 117.35 121.59 2rmm s TYR 45 Ca 0.01 0.02 -0.00 0.00 -2.44 0.00 0.00 57.07 54.66 2rmm s TYR 45 Cb 0.02 -0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.34 2rmm s TYR 45 CO -0.06 -0.04 -0.15 0.34 -1.34 0.00 0.00 175.55 174.30 2rmm s ASP 46 N -0.15 3.59 0.13 4.32 -1.08 0.48 -5.01 116.67 118.96 2rmm s ASP 46 Ca -0.02 -0.69 0.11 0.00 -0.52 0.00 0.00 52.55 51.43 2rmm s ASP 46 Cb -0.01 -1.55 -0.13 0.00 -1.46 0.00 0.00 42.92 39.76 2rmm s ASP 46 CO -0.00 -0.03 1.18 -0.78 0.52 0.00 0.00 175.17 176.05 2rmm h ASP 47 N 7.97 0.00 -0.13 -0.34 3.58 -1.96 -1.02 116.42 124.52 2rmm h ASP 47 Ca -0.41 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.07 2rmm h ASP 47 Cb 1.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2rmm h ASP 47 CO 0.61 0.82 0.16 0.00 -2.88 0.00 0.00 179.24 177.95 2rmm h ALA 48 N 1.18 1.67 0.00 -0.78 0.00 -1.97 -3.14 119.26 116.22 2rmm h ALA 48 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2rmm h ALA 48 Cb 1.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2rmm h ALA 48 CO 0.10 -0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.37 2rmm n THR 49 N -3.71 0.00 -3.66 0.00 -2.24 -1.24 -5.04 114.28 98.39 2rmm n THR 49 Ca 0.00 -0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.27 2rmm n THR 49 Cb 0.26 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 69.71 2rmm n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rmm n LYS 50 N -0.37 -6.51 -5.08 -0.78 4.01 -0.50 -4.81 118.16 104.11 2rmm n LYS 50 Ca 0.00 0.74 -0.32 0.00 -0.51 0.00 0.00 58.31 58.22 2rmm n LYS 50 Cb 0.04 -5.65 -0.15 0.00 -0.51 0.00 0.00 35.03 28.76 2rmm n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2rmm s THR 51 N -3.39 2.57 0.03 -0.18 2.01 -0.53 -1.06 115.64 115.09 2rmm s THR 51 Ca 0.36 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.50 2rmm s THR 51 Cb -0.17 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2rmm s THR 51 CO 0.77 0.58 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.86 2rmm s PHE 52 N -0.52 2.90 -0.08 4.92 0.40 0.66 -0.38 117.98 125.88 2rmm s PHE 52 Ca 0.07 -0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2rmm s PHE 52 Cb -0.11 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 41.86 2rmm s PHE 52 CO 0.01 0.40 -0.03 0.99 0.70 0.00 0.00 175.22 177.29 2rmm s THR 53 N -1.08 0.60 -0.14 0.64 2.01 -0.31 -0.57 115.64 116.79 2rmm s THR 53 Ca 0.19 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 2rmm s THR 53 Cb -0.11 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 2rmm s THR 53 CO 0.10 0.29 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.54 2rmm s VAL 54 N 1.70 3.47 -0.00 3.82 1.01 -0.07 -1.37 120.40 128.95 2rmm s VAL 54 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2rmm s VAL 54 Cb -0.13 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2rmm s VAL 54 CO -0.05 0.51 -0.07 -0.89 0.00 0.00 0.00 175.10 174.61 2rmm s THR 55 N 0.28 0.53 0.00 3.92 2.01 -0.96 -0.46 115.64 120.96 2rmm s THR 55 Ca -0.07 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2rmm s THR 55 Cb -0.15 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 71.92 2rmm s THR 55 CO 0.04 0.15 0.00 -0.62 -0.69 0.00 0.00 174.62 173.50