#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 4.48 0.22 2.12 2.00 -1.26 -2.32 119.66 124.91 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 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 2rmm s GLN 2 CO 0.00 -0.12 -0.16 0.71 -0.50 0.00 0.00 175.29 175.22 2rmm s TYR 3 N 0.20 1.86 0.09 1.67 1.51 0.20 -4.89 117.35 117.99 2rmm s TYR 3 Ca 0.54 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 2rmm s TYR 3 Cb -0.32 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 2rmm s TYR 3 CO 0.35 0.45 -0.09 0.21 -1.11 0.00 0.00 175.55 175.36 2rmm s LYS 4 N -3.61 0.79 -0.04 -0.62 2.20 -0.60 -1.21 119.74 116.65 2rmm s LYS 4 Ca 0.24 -1.12 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 2rmm s LYS 4 Cb -0.02 -0.44 0.02 0.00 -1.51 0.00 0.00 37.83 35.89 2rmm s LYS 4 CO 0.09 0.06 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.92 2rmm s LEU 5 N -2.40 1.39 -0.18 5.43 1.98 0.40 -0.29 118.68 125.01 2rmm s LEU 5 Ca 0.04 -0.13 -0.02 0.00 -2.89 0.00 0.00 54.13 51.12 2rmm s LEU 5 Cb -0.03 -0.45 -0.01 0.00 0.66 0.00 0.00 46.19 46.36 2rmm s LEU 5 CO -0.01 -0.04 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.71 2rmm s ILE 6 N 0.82 3.32 -0.25 6.68 1.01 -0.09 -0.92 121.20 131.77 2rmm s ILE 6 Ca -0.11 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 2rmm s ILE 6 Cb -0.14 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2rmm s ILE 6 CO 0.00 0.47 0.04 -0.22 0.00 0.00 0.00 174.94 175.24 2rmm s LEU 7 N 0.90 3.36 -0.24 2.97 2.96 0.10 -0.62 118.68 128.10 2rmm s LEU 7 Ca -0.02 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2rmm s LEU 7 Cb -0.15 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 44.73 2rmm s LEU 7 CO 0.01 -0.06 -0.14 0.20 -1.32 0.00 0.00 176.35 175.04 2rmm s ASN 8 N 1.56 4.07 0.24 3.68 0.01 0.21 -1.97 114.94 122.74 2rmm s ASN 8 Ca 0.06 -1.19 -0.21 0.00 -0.71 0.00 0.00 52.86 50.81 2rmm s ASN 8 Cb -0.15 -1.53 0.06 0.00 0.41 0.00 0.00 41.25 40.04 2rmm s ASN 8 CO 0.01 -0.14 0.92 -0.83 -1.51 0.00 0.00 177.10 175.56 2rmm s GLY 9 N 1.15 0.09 -0.15 0.66 0.00 -1.12 -2.00 107.32 105.96 2rmm s GLY 9 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2rmm s GLY 9 CO -0.07 0.89 0.25 0.28 0.00 0.00 0.00 173.10 174.45 2rmm n LYS 10 N -0.58 0.71 0.05 2.90 5.02 -1.26 -4.33 118.16 120.67 2rmm n LYS 10 Ca -0.05 0.22 -0.13 0.00 -2.02 0.00 0.00 58.31 56.33 2rmm n LYS 10 Cb 0.60 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 2rmm n LYS 10 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2rmm h THR 11 N 0.04 1.37 -2.83 -0.18 2.02 -1.98 -3.47 112.91 107.88 2rmm h THR 11 Ca -0.45 -2.31 -0.10 0.00 0.77 0.00 0.00 66.41 64.32 2rmm h THR 11 Cb 2.02 2.30 -0.19 0.00 -1.74 0.00 0.00 68.15 70.53 2rmm h THR 11 CO 0.04 0.70 -0.17 -0.22 0.37 0.00 0.00 175.52 176.24 2rmm s LEU 12 N -7.88 0.52 0.03 2.58 2.96 -1.26 -5.14 118.68 110.49 2rmm s LEU 12 Ca -0.06 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2rmm s LEU 12 Cb 0.09 1.56 -0.02 0.00 0.50 0.00 0.00 46.19 48.32 2rmm s LEU 12 CO 0.87 -0.50 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.78 2rmm s LYS 13 N -1.43 0.51 0.00 1.98 1.02 -1.26 -2.78 119.74 117.78 2rmm s LYS 13 Ca -0.12 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.21 2rmm s LYS 13 Cb -0.04 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 2rmm s LYS 13 CO 0.05 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 2rmm n GLY 14 N 1.72 -1.53 2.96 -3.33 0.00 -0.83 -5.00 105.19 99.18 2rmm n GLY 14 Ca -0.21 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.31 0.13 0.16 1.61 2.02 -1.26 -0.72 118.70 119.32 2rmm s GLU 15 Ca 0.00 0.38 0.03 0.00 0.02 0.00 0.00 54.97 55.39 2rmm s GLU 15 Cb 0.00 -0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.06 2rmm s GLU 15 CO 0.00 -0.14 -0.04 0.95 0.02 0.00 0.00 175.26 176.04 2rmm s THR 16 N 1.02 0.87 -0.03 3.63 -4.23 -0.10 -5.01 115.64 111.79 2rmm s THR 16 Ca -0.08 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.37 2rmm s THR 16 Cb -0.10 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.77 2rmm s THR 16 CO -0.05 -0.61 0.15 -0.89 -0.54 0.00 0.00 174.62 172.67 2rmm s THR 17 N -3.52 0.04 0.17 3.99 2.01 -1.26 -0.45 115.64 116.61 2rmm s THR 17 Ca 0.20 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 2rmm s THR 17 Cb 0.05 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 2rmm s THR 17 CO 0.02 -0.19 0.26 0.28 -0.69 0.00 0.00 174.62 174.30 2rmm s THR 18 N -0.64 0.06 -0.12 -0.82 -1.32 -0.35 -5.00 115.64 107.45 2rmm s THR 18 Ca -0.07 -1.47 0.02 0.00 -1.21 0.00 0.00 61.69 58.96 2rmm s THR 18 Cb -0.04 -1.91 0.01 0.00 -1.51 0.00 0.00 72.50 69.05 2rmm s THR 18 CO 0.01 -0.29 -0.19 -0.70 -2.21 0.00 0.00 174.62 171.24 2rmm s GLU 19 N -3.99 2.61 0.26 7.08 2.12 -1.26 -0.63 118.70 124.89 2rmm s GLU 19 Ca 0.19 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.82 2rmm s GLU 19 Cb 0.04 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 2rmm s GLU 19 CO 0.01 -0.01 0.12 0.00 -0.54 0.00 0.00 175.26 174.85 2rmm s ALA 20 N 0.81 1.64 0.06 6.30 0.00 -0.98 -4.94 121.76 124.66 2rmm s ALA 20 Ca -0.09 -1.80 -0.20 0.00 0.00 0.00 0.00 51.96 49.87 2rmm s ALA 20 Cb -0.16 1.17 -0.11 0.00 0.00 0.00 0.00 23.12 24.02 2rmm s ALA 20 CO 0.00 -0.51 1.46 -0.24 0.00 0.00 0.00 175.76 176.47 2rmm h VAL 21 N 2.40 1.28 -3.97 0.00 3.04 -1.96 -2.52 116.25 114.52 2rmm h VAL 21 Ca -0.36 -0.99 -0.12 0.00 -1.01 0.00 0.00 66.70 64.22 2rmm h VAL 21 Cb 1.25 1.56 -0.12 0.00 -2.01 0.00 0.00 31.29 31.96 2rmm h VAL 21 CO 0.56 0.30 -0.34 1.51 -1.01 0.00 0.00 177.57 178.59 2rmm s ASP 22 N -5.92 0.05 0.54 3.17 1.47 -1.26 -4.66 116.67 110.05 2rmm s ASP 22 Ca -0.14 -0.97 0.29 0.00 1.18 0.00 0.00 52.55 52.91 2rmm s ASP 22 Cb 0.06 0.45 1.45 0.00 -0.34 0.00 0.00 42.92 44.54 2rmm s ASP 22 CO 0.74 -0.92 1.94 0.00 0.68 0.00 0.00 175.17 177.60 2rmm h ALA 23 N 2.52 2.63 0.01 2.11 0.00 -1.97 0.17 119.26 124.72 2rmm h ALA 23 Ca -0.31 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 2rmm h ALA 23 Cb 1.23 0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.09 2rmm h ALA 23 CO 0.47 -0.87 -0.89 0.00 0.00 0.00 0.00 179.25 177.96 2rmm h ALA 24 N 1.62 0.09 -0.20 0.00 0.00 -1.97 0.04 119.26 118.85 2rmm h ALA 24 Ca 0.33 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2rmm h ALA 24 Cb 1.35 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2rmm h ALA 24 CO -0.00 0.56 0.04 1.15 0.00 0.00 0.00 179.25 180.99 2rmm h THR 25 N 0.19 1.22 -0.80 0.00 2.02 -1.75 -0.26 112.91 113.52 2rmm h THR 25 Ca -0.11 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2rmm h THR 25 Cb 1.57 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 69.25 2rmm h THR 25 CO 0.18 0.22 0.51 0.00 0.37 0.00 0.00 175.52 176.79 2rmm h ALA 26 N 0.84 1.39 -0.47 6.16 0.00 -1.04 0.13 119.26 126.27 2rmm h ALA 26 Ca 0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2rmm h ALA 26 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2rmm h ALA 26 CO 0.00 0.54 -0.05 1.49 0.00 0.00 0.00 179.25 181.24 2rmm h GLU 27 N 1.09 0.81 -0.31 0.00 4.81 -0.93 -1.54 114.58 118.52 2rmm h GLU 27 Ca 0.29 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2rmm h GLU 27 Cb -0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2rmm h GLU 27 CO -0.06 0.85 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.81 2rmm h LYS 28 N 0.75 0.57 0.10 1.92 3.64 0.09 0.54 116.57 124.18 2rmm h LYS 28 Ca 0.14 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2rmm h LYS 28 Cb 0.52 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2rmm h LYS 28 CO 0.03 0.74 -0.14 0.28 -2.27 0.00 0.00 179.45 178.09 2rmm h VAL 29 N 0.35 0.69 -0.64 2.00 2.07 -0.96 -1.91 116.25 117.86 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 0.51 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2rmm h VAL 29 CO 0.02 0.00 0.42 -0.26 0.02 0.00 0.00 177.57 177.78 2rmm h PHE 30 N -0.28 0.80 0.00 1.57 0.04 -1.27 -1.16 116.94 116.64 2rmm h PHE 30 Ca 0.02 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2rmm h PHE 30 Cb 0.29 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 2rmm h PHE 30 CO -0.14 0.50 -0.07 0.87 -0.60 0.00 0.00 178.31 178.86 2rmm h LYS 31 N 0.86 0.00 -0.28 1.51 1.57 -0.53 -0.61 116.57 119.09 2rmm h LYS 31 Ca 0.23 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2rmm h LYS 31 Cb -0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2rmm h LYS 31 CO -0.05 0.07 -0.46 0.37 -0.57 0.00 0.00 179.45 178.81 2rmm h GLN 32 N 0.00 0.81 0.00 3.15 5.75 -0.41 -3.27 115.11 121.15 2rmm h GLN 32 Ca -0.00 -0.50 -0.11 0.00 -0.15 0.00 0.00 58.65 57.89 2rmm h GLN 32 Cb 0.39 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2rmm h GLN 32 CO 0.01 1.13 -0.55 1.88 -2.65 0.00 0.00 178.83 178.65 2rmm h TYR 33 N 0.58 0.00 -3.42 3.99 -1.99 -1.43 -3.45 116.97 111.25 2rmm h TYR 33 Ca 0.02 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.19 2rmm h TYR 33 Cb 1.07 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.41 2rmm h TYR 33 CO 0.08 0.55 -0.78 -0.06 -0.00 0.00 0.00 178.16 177.94 2rmm s PHE 34 N -2.99 1.67 0.31 4.88 0.08 -0.25 -4.88 117.98 116.80 2rmm s PHE 34 Ca 0.03 -1.23 0.00 0.00 0.12 0.00 0.00 56.93 55.85 2rmm s PHE 34 Cb 0.08 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 2rmm s PHE 34 CO 0.75 -0.67 0.00 0.27 -0.10 0.00 0.00 175.22 175.47 2rmm n ASN 35 N 4.87 -2.72 -0.35 1.36 0.23 -1.26 -4.24 115.26 113.14 2rmm n ASN 35 Ca -0.11 0.60 0.00 0.00 -0.53 0.00 0.00 54.58 54.54 2rmm n ASN 35 Cb 0.46 2.69 0.00 0.00 -2.08 0.00 0.00 39.78 40.85 2rmm n ASN 35 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2rmm n ASP 36 N -3.15 0.00 -0.31 0.53 5.68 -1.26 -3.65 116.55 114.39 2rmm n ASP 36 Ca 0.00 -1.04 0.05 0.00 -0.50 0.00 0.00 54.79 53.30 2rmm n ASP 36 Cb 0.00 -0.01 0.25 0.00 -1.14 0.00 0.00 41.12 40.22 2rmm n ASP 36 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2rmm h ASN 37 N 0.00 0.89 0.00 -1.12 2.35 -1.96 -3.42 115.58 112.32 2rmm h ASN 37 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2rmm h ASN 37 Cb 1.02 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2rmm h ASN 37 CO 0.00 0.55 0.00 0.61 -1.65 0.00 0.00 177.43 176.94 2rmm n GLY 38 N -1.39 0.38 1.16 2.83 0.00 -1.26 -5.06 105.19 101.86 2rmm n GLY 38 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2rmm n GLY 38 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rmm n VAL 39 N 0.00 0.00 -4.42 1.61 0.24 -1.26 -4.41 118.33 110.08 2rmm n VAL 39 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 2rmm n VAL 39 Cb 0.19 -0.44 -0.08 0.00 -1.47 0.00 0.00 33.84 32.05 2rmm n VAL 39 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2rmm n ASP 40 N -2.23 -1.15 -4.71 -1.34 2.03 -1.24 -4.83 116.55 103.07 2rmm n ASP 40 Ca 0.00 -1.22 -0.27 0.00 0.52 0.00 0.00 54.79 53.82 2rmm n ASP 40 Cb 0.07 -1.80 0.11 0.00 -0.72 0.00 0.00 41.12 38.78 2rmm n ASP 40 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2rmm s GLY 41 N -3.63 1.69 -0.04 0.27 0.00 -1.26 -5.00 107.32 99.35 2rmm s GLY 41 Ca 0.55 -0.98 -0.26 0.00 0.00 0.00 0.00 44.72 44.03 2rmm s GLY 41 CO 1.00 -0.45 0.81 1.85 0.00 0.00 0.00 173.10 176.31 2rmm s GLU 42 N -5.48 4.48 0.11 2.90 2.12 0.25 -4.84 118.70 118.24 2rmm s GLU 42 Ca 0.64 1.10 -0.12 0.00 0.36 0.00 0.00 54.97 56.95 2rmm s GLU 42 Cb -0.09 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.78 2rmm s GLU 42 CO 0.48 0.01 0.46 -1.58 -0.54 0.00 0.00 175.26 174.09 2rmm s TRP 43 N 0.92 3.60 0.05 5.30 0.52 -1.26 -1.87 118.94 126.19 2rmm s TRP 43 Ca 0.43 0.91 -0.00 0.00 0.02 0.00 0.00 56.10 57.46 2rmm s TRP 43 Cb -0.19 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.85 2rmm s TRP 43 CO 0.22 0.48 -0.04 0.99 0.02 0.00 0.00 176.95 178.62 2rmm s THR 44 N -1.42 0.29 -0.05 2.01 2.01 -0.31 -5.00 115.64 113.17 2rmm s THR 44 Ca 0.35 -1.53 -0.04 0.00 0.31 0.00 0.00 61.69 60.78 2rmm s THR 44 Cb -0.14 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.25 2rmm s THR 44 CO 0.18 -0.79 0.13 -0.47 -0.69 0.00 0.00 174.62 172.98 2rmm s TYR 45 N -3.00 -0.14 -0.27 4.92 5.04 -1.26 -0.85 117.35 121.79 2rmm s TYR 45 Ca 0.00 0.36 0.01 0.00 -2.44 0.00 0.00 57.07 55.01 2rmm s TYR 45 Cb 0.01 0.01 0.06 0.00 0.35 0.00 0.00 41.96 42.39 2rmm s TYR 45 CO -0.06 -0.09 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.48 2rmm s ASP 46 N 0.33 4.60 0.27 4.32 1.01 -0.14 -5.01 116.67 122.04 2rmm s ASP 46 Ca -0.02 -1.35 0.10 0.00 0.71 0.00 0.00 52.55 51.99 2rmm s ASP 46 Cb -0.03 -1.61 0.33 0.00 1.01 0.00 0.00 42.92 42.62 2rmm s ASP 46 CO -0.01 -0.21 1.59 -0.78 0.21 0.00 0.00 175.17 175.97 2rmm h ASP 47 N 7.85 0.00 -0.40 0.27 3.58 -1.96 -1.80 116.42 123.96 2rmm h ASP 47 Ca -0.20 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.37 2rmm h ASP 47 Cb 1.05 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 2rmm h ASP 47 CO 0.49 0.64 0.46 0.00 -2.88 0.00 0.00 179.24 177.95 2rmm h ALA 48 N 1.36 2.09 0.00 -0.78 0.00 -1.96 -2.43 119.26 117.54 2rmm h ALA 48 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rmm h ALA 48 Cb 1.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2rmm h ALA 48 CO 0.08 -0.67 0.00 0.25 0.00 0.00 0.00 179.25 178.91 2rmm n THR 49 N -3.64 0.53 -4.23 0.00 -2.24 -1.17 -5.03 114.28 98.51 2rmm n THR 49 Ca 0.07 -0.54 -0.35 0.00 -2.27 0.00 0.00 64.05 60.96 2rmm n THR 49 Cb 0.63 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.27 -0.81 -4.77 -0.78 4.76 -0.92 -4.85 118.16 110.53 2rmm n LYS 50 Ca 0.00 0.11 -0.25 0.00 -2.87 0.00 0.00 58.31 55.30 2rmm n LYS 50 Cb 0.35 -3.91 -0.16 0.00 -1.84 0.00 0.00 35.03 29.47 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 -3.48 1.34 -0.00 -0.18 2.01 -0.72 -1.56 115.64 113.05 2rmm s THR 51 Ca 0.49 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 2rmm s THR 51 Cb -0.28 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2rmm s THR 51 CO 0.93 0.39 0.11 -0.36 -0.69 0.00 0.00 174.62 174.99 2rmm s PHE 52 N 0.13 3.35 0.02 4.92 0.08 0.60 -0.97 117.98 126.12 2rmm s PHE 52 Ca -0.05 0.24 0.06 0.00 0.12 0.00 0.00 56.93 57.30 2rmm s PHE 52 Cb -0.12 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2rmm s PHE 52 CO 0.02 0.58 -0.19 0.99 -0.10 0.00 0.00 175.22 176.52 2rmm s THR 53 N -1.24 1.53 -0.08 0.64 2.01 -0.03 -0.91 115.64 117.57 2rmm s THR 53 Ca 0.24 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2rmm s THR 53 Cb -0.12 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.10 2rmm s THR 53 CO 0.15 0.28 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.61 2rmm s VAL 54 N -0.64 0.81 -0.01 3.82 1.01 0.20 -1.16 120.40 124.42 2rmm s VAL 54 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2rmm s VAL 54 Cb -0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 2rmm s VAL 54 CO 0.01 0.31 -0.07 -0.89 0.00 0.00 0.00 175.10 174.46 2rmm s THR 55 N 1.36 0.54 -2.13 3.92 2.01 -0.78 -0.62 115.64 119.94 2rmm s THR 55 Ca -0.03 -0.28 0.31 0.00 0.31 0.00 0.00 61.69 62.00 2rmm s THR 55 Cb -0.14 -0.46 0.82 0.00 0.01 0.00 0.00 72.50 72.73 2rmm s THR 55 CO -0.03 0.16 2.10 -0.62 -0.69 0.00 0.00 174.62 175.54