#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 4.66 0.24 2.12 0.74 -1.26 -2.06 119.66 124.10 2rmm s GLN 2 Ca 0.00 1.49 0.08 0.00 0.05 0.00 0.00 55.36 56.98 2rmm s GLN 2 Cb 0.00 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 2rmm s GLN 2 CO 0.00 0.15 -0.13 0.71 -0.55 0.00 0.00 175.29 175.47 2rmm s TYR 3 N 0.14 1.89 0.07 1.67 2.02 0.14 -4.92 117.35 118.37 2rmm s TYR 3 Ca 0.48 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2rmm s TYR 3 Cb -0.24 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 2rmm s TYR 3 CO 0.30 0.41 -0.08 0.21 -1.57 0.00 0.00 175.55 174.82 2rmm s LYS 4 N -3.64 0.71 -0.09 -0.62 2.20 -0.98 -1.61 119.74 115.70 2rmm s LYS 4 Ca 0.26 -1.08 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 2rmm s LYS 4 Cb -0.00 -0.28 0.01 0.00 -1.51 0.00 0.00 37.83 36.05 2rmm s LYS 4 CO 0.10 0.02 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.80 2rmm s LEU 5 N -2.37 1.68 -0.21 5.43 1.98 0.67 -0.18 118.68 125.68 2rmm s LEU 5 Ca 0.02 -0.38 -0.06 0.00 -2.89 0.00 0.00 54.13 50.82 2rmm s LEU 5 Cb -0.02 -0.99 -0.03 0.00 0.66 0.00 0.00 46.19 45.81 2rmm s LEU 5 CO -0.02 0.02 0.03 -0.63 -1.89 0.00 0.00 176.35 173.87 2rmm s ILE 6 N 0.86 4.26 -0.27 6.68 1.01 0.24 -1.18 121.20 132.79 2rmm s ILE 6 Ca -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 2rmm s ILE 6 Cb -0.15 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2rmm s ILE 6 CO 0.01 0.41 0.00 -0.22 0.00 0.00 0.00 174.94 175.15 2rmm s LEU 7 N 0.97 3.45 -0.21 2.97 2.96 0.10 -0.84 118.68 128.08 2rmm s LEU 7 Ca 0.03 -0.74 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 2rmm s LEU 7 Cb -0.14 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.81 2rmm s LEU 7 CO 0.02 -0.14 -0.16 0.20 -1.32 0.00 0.00 176.35 174.95 2rmm s ASN 8 N 1.42 3.67 0.28 3.68 0.01 0.29 -1.83 114.94 122.46 2rmm s ASN 8 Ca 0.02 -0.96 -0.09 0.00 -0.71 0.00 0.00 52.86 51.12 2rmm s ASN 8 Cb -0.17 -1.50 -0.00 0.00 0.41 0.00 0.00 41.25 39.99 2rmm s ASN 8 CO -0.01 -0.08 0.46 -0.83 -1.51 0.00 0.00 177.10 175.13 2rmm s GLY 9 N 1.22 0.89 0.00 0.66 0.00 -1.13 -1.87 107.32 107.09 2rmm s GLY 9 Ca -0.01 -1.14 0.27 0.00 0.00 0.00 0.00 44.72 43.85 2rmm s GLY 9 CO -0.10 -0.79 1.68 0.28 0.00 0.00 0.00 173.10 174.17 2rmm n LYS 10 N -0.43 0.41 0.00 2.90 4.76 -1.26 -4.26 118.16 120.29 2rmm n LYS 10 Ca -0.01 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 2rmm n LYS 10 Cb 0.62 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 2rmm n LYS 10 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2rmm n THR 11 N -1.13 0.00 -3.72 -0.18 -1.04 -1.26 -5.08 114.28 101.87 2rmm n THR 11 Ca 0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.97 2rmm n THR 11 Cb 0.32 0.11 -0.09 0.00 -1.82 0.00 0.00 70.33 68.85 2rmm n THR 11 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2rmm s LEU 12 N -0.68 0.46 0.03 -4.42 0.20 -1.26 -5.19 118.68 107.82 2rmm s LEU 12 Ca 0.00 0.50 -0.02 0.00 0.69 0.00 0.00 54.13 55.30 2rmm s LEU 12 Cb 0.00 1.50 -0.02 0.00 -0.43 0.00 0.00 46.19 47.24 2rmm s LEU 12 CO 0.00 -0.33 0.01 -0.54 -0.29 0.00 0.00 176.35 175.20 2rmm s LYS 13 N -0.63 0.44 0.00 1.98 1.02 -1.26 -2.83 119.74 118.46 2rmm s LYS 13 Ca -0.07 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.18 2rmm s LYS 13 Cb -0.04 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 2rmm s LYS 13 CO 0.03 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 2rmm n GLY 14 N 1.13 -1.32 3.00 -3.33 0.00 -0.76 -5.01 105.19 98.90 2rmm n GLY 14 Ca -0.21 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.78 0.16 0.06 1.61 2.02 -1.26 -0.72 118.70 119.79 2rmm s GLU 15 Ca 0.00 0.13 0.03 0.00 0.02 0.00 0.00 54.97 55.14 2rmm s GLU 15 Cb 0.00 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.28 2rmm s GLU 15 CO 0.00 -0.02 -0.09 0.95 0.02 0.00 0.00 175.26 176.12 2rmm s THR 16 N -0.04 0.69 -0.03 3.63 -4.23 -0.33 -5.00 115.64 110.34 2rmm s THR 16 Ca -0.01 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2rmm s THR 16 Cb -0.01 -0.95 0.01 0.00 1.34 0.00 0.00 72.50 72.88 2rmm s THR 16 CO 0.00 -0.47 0.08 -0.89 -0.54 0.00 0.00 174.62 172.80 2rmm s THR 17 N -1.91 0.01 0.13 3.99 2.01 -1.26 -0.24 115.64 118.38 2rmm s THR 17 Ca -0.03 -0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.72 2rmm s THR 17 Cb -0.06 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.31 2rmm s THR 17 CO -0.00 -0.06 0.34 0.28 -0.69 0.00 0.00 174.62 174.49 2rmm s THR 18 N -0.16 0.08 -0.19 -0.82 -1.32 -0.64 -5.02 115.64 107.58 2rmm s THR 18 Ca -0.02 -0.87 -0.02 0.00 -1.21 0.00 0.00 61.69 59.57 2rmm s THR 18 Cb -0.02 -1.36 -0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2rmm s THR 18 CO 0.00 -0.38 -0.10 -0.70 -2.21 0.00 0.00 174.62 171.23 2rmm s GLU 19 N -3.85 3.27 0.30 7.08 2.12 -1.26 -0.68 118.70 125.67 2rmm s GLU 19 Ca 0.06 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.73 2rmm s GLU 19 Cb 0.02 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2rmm s GLU 19 CO -0.09 -0.12 0.16 0.00 -0.54 0.00 0.00 175.26 174.67 2rmm s ALA 20 N 1.21 1.90 0.12 6.30 0.00 -0.87 -4.96 121.76 125.46 2rmm s ALA 20 Ca 0.02 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.05 2rmm s ALA 20 Cb -0.14 1.17 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 2rmm s ALA 20 CO -0.04 -0.51 1.59 -0.24 0.00 0.00 0.00 175.76 176.56 2rmm h VAL 21 N 2.24 1.24 -3.65 0.00 3.04 -1.96 -0.62 116.25 116.54 2rmm h VAL 21 Ca -0.34 -0.85 -0.07 0.00 -1.01 0.00 0.00 66.70 64.43 2rmm h VAL 21 Cb 1.25 1.10 -0.08 0.00 -2.01 0.00 0.00 31.29 31.55 2rmm h VAL 21 CO 0.52 0.28 -0.10 1.51 -1.01 0.00 0.00 177.57 178.78 2rmm s ASP 22 N -6.01 0.00 0.53 3.17 -4.77 -1.26 -4.17 116.67 104.16 2rmm s ASP 22 Ca -0.13 -0.98 0.27 0.00 -3.30 0.00 0.00 52.55 48.40 2rmm s ASP 22 Cb 0.09 0.61 1.42 0.00 -1.09 0.00 0.00 42.92 43.95 2rmm s ASP 22 CO 0.77 -1.19 1.97 0.00 0.70 0.00 0.00 175.17 177.42 2rmm h ALA 23 N 2.22 2.59 0.14 2.11 0.00 -1.93 -0.74 119.26 123.64 2rmm h ALA 23 Ca -0.26 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.34 2rmm h ALA 23 Cb 1.25 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.10 2rmm h ALA 23 CO 0.36 -0.77 -1.27 0.00 0.00 0.00 0.00 179.25 177.57 2rmm h ALA 24 N 1.69 0.06 -0.17 0.00 0.00 -1.97 -0.29 119.26 118.57 2rmm h ALA 24 Ca 0.29 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2rmm h ALA 24 Cb 1.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2rmm h ALA 24 CO -0.00 0.92 0.00 1.15 0.00 0.00 0.00 179.25 181.31 2rmm h THR 25 N 0.10 1.25 -0.70 0.00 2.02 -1.76 0.67 112.91 114.49 2rmm h THR 25 Ca -0.15 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 2rmm h THR 25 Cb 1.99 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 2rmm h THR 25 CO 0.22 0.25 0.38 0.00 0.37 0.00 0.00 175.52 176.74 2rmm h ALA 26 N 0.78 1.35 -0.74 6.16 0.00 -1.24 -0.13 119.26 125.44 2rmm h ALA 26 Ca 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2rmm h ALA 26 Cb 0.38 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2rmm h ALA 26 CO 0.01 0.53 0.28 1.49 0.00 0.00 0.00 179.25 181.56 2rmm h GLU 27 N 0.97 1.12 -0.25 0.00 4.81 -0.99 -1.28 114.58 118.95 2rmm h GLU 27 Ca 0.25 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2rmm h GLU 27 Cb 0.03 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2rmm h GLU 27 CO -0.04 0.92 0.07 -0.22 -0.73 0.00 0.00 179.01 179.01 2rmm h LYS 28 N 1.07 0.40 -0.08 1.92 3.64 0.12 0.18 116.57 123.82 2rmm h LYS 28 Ca 0.24 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2rmm h LYS 28 Cb 0.24 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2rmm h LYS 28 CO -0.02 0.49 -0.13 0.28 -2.27 0.00 0.00 179.45 177.81 2rmm h VAL 29 N 0.24 0.66 -0.95 2.00 2.07 -0.97 -0.92 116.25 118.38 2rmm h VAL 29 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2rmm h VAL 29 Cb 0.27 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2rmm h VAL 29 CO -0.00 0.00 0.63 -0.26 0.02 0.00 0.00 177.57 177.96 2rmm h PHE 30 N -0.18 1.19 0.00 1.57 0.04 -1.14 -1.20 116.94 117.22 2rmm h PHE 30 Ca 0.07 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 2rmm h PHE 30 Cb 0.28 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2rmm h PHE 30 CO -0.22 0.75 -0.27 0.87 -0.60 0.00 0.00 178.31 178.84 2rmm h LYS 31 N 1.28 0.00 -0.42 1.51 1.57 -0.65 -0.29 116.57 119.56 2rmm h LYS 31 Ca 0.35 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 2rmm h LYS 31 Cb -0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2rmm h LYS 31 CO -0.08 0.27 0.09 0.37 -0.57 0.00 0.00 179.45 179.53 2rmm h GLN 32 N 0.00 0.69 0.00 3.15 5.75 0.08 -1.84 115.11 122.94 2rmm h GLN 32 Ca -0.00 -0.17 -0.12 0.00 -0.15 0.00 0.00 58.65 58.21 2rmm h GLN 32 Cb 0.49 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2rmm h GLN 32 CO 0.03 0.71 -0.56 1.88 -2.65 0.00 0.00 178.83 178.24 2rmm h TYR 33 N 0.55 0.00 0.00 3.99 -1.99 -1.35 -3.39 116.97 114.78 2rmm h TYR 33 Ca 0.13 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.79 2rmm h TYR 33 Cb 0.34 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 38.90 2rmm h TYR 33 CO 0.02 0.56 -0.71 1.19 -0.00 0.00 0.00 178.16 179.22 2rmm n PHE 34 N -3.27 0.00 -3.50 4.88 3.72 -0.13 -4.92 117.46 114.24 2rmm n PHE 34 Ca 0.02 -1.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.01 2rmm n PHE 34 Cb 0.74 -0.20 -0.10 0.00 -0.94 0.00 0.00 39.48 38.98 2rmm n PHE 34 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2rmm s ASN 35 N -2.61 6.09 -1.73 4.37 2.47 -0.70 -4.73 114.94 118.10 2rmm s ASN 35 Ca 0.35 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.27 2rmm s ASN 35 Cb 0.36 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 38.01 2rmm s ASN 35 CO -0.10 -0.25 0.00 -0.67 -3.72 0.00 0.00 177.10 172.35 2rmm n ASP 36 N 5.17 -4.97 -0.30 -4.21 2.03 -1.26 -4.87 116.55 108.14 2rmm n ASP 36 Ca -0.12 0.26 -0.02 0.00 0.52 0.00 0.00 54.79 55.43 2rmm n ASP 36 Cb 0.50 -4.31 0.11 0.00 -0.72 0.00 0.00 41.12 36.69 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 0.86 0.00 1.67 2.35 -1.91 -3.45 115.58 115.10 2rmm h ASN 37 Ca -0.40 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2rmm h ASN 37 Cb 1.24 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2rmm h ASN 37 CO 0.52 0.58 0.00 0.61 -1.65 0.00 0.00 177.43 177.50 2rmm n GLY 38 N -1.32 0.00 2.75 2.83 0.00 -1.26 -5.06 105.19 103.12 2rmm n GLY 38 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2rmm n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2rmm n VAL 39 N 0.00 0.63 -0.18 1.61 3.14 -1.26 -4.84 118.33 117.43 2rmm n VAL 39 Ca 0.00 -1.98 -0.01 0.00 -2.96 0.00 0.00 64.34 59.39 2rmm n VAL 39 Cb 0.00 1.14 -0.02 0.00 -1.06 0.00 0.00 33.84 33.90 2rmm n VAL 39 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2rmm n ASP 40 N -1.03 1.32 -2.15 6.55 2.03 -1.26 -4.83 116.55 117.18 2rmm n ASP 40 Ca -0.05 -1.51 -0.02 0.00 0.52 0.00 0.00 54.79 53.73 2rmm n ASP 40 Cb 0.84 -0.31 0.01 0.00 -0.72 0.00 0.00 41.12 40.94 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 2.28 -0.96 3.63 0.27 0.00 -1.26 -4.97 105.19 104.19 2rmm n GLY 41 Ca 0.04 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.15 4.01 0.15 1.61 2.12 -0.44 -4.73 118.70 118.26 2rmm s GLU 42 Ca 0.06 0.97 -0.30 0.00 0.36 0.00 0.00 54.97 56.05 2rmm s GLU 42 Cb -0.00 -3.76 -0.07 0.00 0.26 0.00 0.00 34.13 30.56 2rmm s GLU 42 CO 0.04 -0.96 0.95 -1.58 -0.54 0.00 0.00 175.26 173.17 2rmm s TRP 43 N 3.73 3.86 0.04 5.30 0.52 -1.26 -2.17 118.94 128.97 2rmm s TRP 43 Ca 0.45 1.83 0.00 0.00 0.02 0.00 0.00 56.10 58.40 2rmm s TRP 43 Cb -0.12 -3.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.14 2rmm s TRP 43 CO 0.18 0.28 -0.04 0.99 0.02 0.00 0.00 176.95 178.37 2rmm s THR 44 N -0.33 0.28 -0.02 2.01 2.01 -0.11 -5.00 115.64 114.48 2rmm s THR 44 Ca 0.45 -1.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 2rmm s THR 44 Cb -0.24 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.30 2rmm s THR 44 CO 0.30 -0.73 0.06 -0.47 -0.69 0.00 0.00 174.62 173.10 2rmm s TYR 45 N -2.68 -0.04 -0.24 4.92 5.04 -1.26 -0.81 117.35 122.28 2rmm s TYR 45 Ca -0.03 0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.71 2rmm s TYR 45 Cb -0.01 0.00 0.04 0.00 0.35 0.00 0.00 41.96 42.34 2rmm s TYR 45 CO -0.05 -0.07 -0.11 0.34 -1.34 0.00 0.00 175.55 174.32 2rmm s ASP 46 N -0.20 4.06 0.04 4.32 -1.08 0.10 -5.01 116.67 118.91 2rmm s ASP 46 Ca -0.02 -1.00 0.27 0.00 -0.52 0.00 0.00 52.55 51.28 2rmm s ASP 46 Cb -0.02 -1.58 0.96 0.00 -1.46 0.00 0.00 42.92 40.83 2rmm s ASP 46 CO 0.00 -0.12 1.76 -0.67 0.52 0.00 0.00 175.17 176.66 2rmm n ASP 47 N 4.57 0.28 0.17 -0.34 2.03 -1.26 -1.10 116.55 120.91 2rmm n ASP 47 Ca -0.17 0.34 0.05 0.00 0.52 0.00 0.00 54.79 55.54 2rmm n ASP 47 Cb 0.46 -0.36 0.18 0.00 -0.72 0.00 0.00 41.12 40.68 2rmm n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rmm h ALA 48 N 2.88 0.82 0.00 -1.67 0.00 -1.97 -3.37 119.26 115.95 2rmm h ALA 48 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2rmm h ALA 48 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2rmm h ALA 48 CO 0.00 0.49 -0.03 -2.37 0.00 0.00 0.00 179.25 177.35 2rmm n THR 49 N -3.30 0.61 -3.77 0.00 5.66 -1.24 -5.06 114.28 107.19 2rmm n THR 49 Ca 0.01 -0.64 -0.24 0.00 -3.05 0.00 0.00 64.05 60.14 2rmm n THR 49 Cb 0.62 0.65 0.03 0.00 -1.55 0.00 0.00 70.33 70.08 2rmm n THR 49 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2rmm n LYS 50 N -0.34 -5.01 -4.33 1.09 4.76 -0.26 -4.88 118.16 109.20 2rmm n LYS 50 Ca 0.01 0.60 -0.18 0.00 -2.87 0.00 0.00 58.31 55.87 2rmm n LYS 50 Cb 0.40 -5.23 -0.15 0.00 -1.84 0.00 0.00 35.03 28.21 2rmm n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2rmm s THR 51 N -3.59 0.67 -0.00 -0.18 2.01 -0.84 -2.33 115.64 111.38 2rmm s THR 51 Ca 0.18 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 2rmm s THR 51 Cb -0.09 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 2rmm s THR 51 CO 0.82 0.20 0.12 -0.36 -0.69 0.00 0.00 174.62 174.70 2rmm s PHE 52 N -0.08 3.38 0.06 4.92 0.40 0.75 -0.72 117.98 126.69 2rmm s PHE 52 Ca 0.01 0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.66 2rmm s PHE 52 Cb -0.05 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 2rmm s PHE 52 CO -0.00 0.59 -0.17 0.99 0.70 0.00 0.00 175.22 177.32 2rmm s THR 53 N -1.24 1.37 -0.08 0.64 2.01 0.01 -0.59 115.64 117.75 2rmm s THR 53 Ca 0.24 -1.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2rmm s THR 53 Cb -0.12 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.17 2rmm s THR 53 CO 0.16 0.00 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.36 2rmm s VAL 54 N -0.98 0.66 -0.17 3.82 1.01 -0.02 -0.93 120.40 123.80 2rmm s VAL 54 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2rmm s VAL 54 Cb -0.09 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.60 2rmm s VAL 54 CO 0.02 0.30 0.03 -0.89 0.00 0.00 0.00 175.10 174.56 2rmm s THR 55 N 1.66 0.47 -2.00 3.92 2.01 -0.92 -0.55 115.64 120.23 2rmm s THR 55 Ca 0.02 -0.42 0.11 0.00 0.31 0.00 0.00 61.69 61.71 2rmm s THR 55 Cb -0.13 -0.92 0.33 0.00 0.01 0.00 0.00 72.50 71.79 2rmm s THR 55 CO -0.05 -0.13 1.12 -0.62 -0.69 0.00 0.00 174.62 174.25