#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 0.20 2.12 2.00 -1.26 -2.17 119.66 125.03 2rmm s GLN 2 Ca 0.00 1.86 0.09 0.00 -2.00 0.00 0.00 55.36 55.31 2rmm s GLN 2 Cb 0.00 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 2rmm s GLN 2 CO 0.00 -0.11 -0.17 0.71 -0.50 0.00 0.00 175.29 175.22 2rmm s TYR 3 N 0.09 1.85 0.10 1.67 1.51 0.19 -4.90 117.35 117.86 2rmm s TYR 3 Ca 0.54 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 2rmm s TYR 3 Cb -0.32 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 2rmm s TYR 3 CO 0.36 0.39 -0.10 0.21 -1.11 0.00 0.00 175.55 175.30 2rmm s LYS 4 N -3.20 0.86 -0.04 -0.62 2.20 -0.80 -1.28 119.74 116.86 2rmm s LYS 4 Ca 0.20 -1.16 0.02 0.00 -0.36 0.00 0.00 55.97 54.67 2rmm s LYS 4 Cb -0.04 -0.55 0.01 0.00 -1.51 0.00 0.00 37.83 35.74 2rmm s LYS 4 CO 0.08 0.09 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.89 2rmm s LEU 5 N -2.44 1.68 -0.17 5.43 1.98 0.53 -0.26 118.68 125.43 2rmm s LEU 5 Ca 0.06 -0.21 -0.01 0.00 -2.89 0.00 0.00 54.13 51.08 2rmm s LEU 5 Cb -0.03 -0.62 -0.00 0.00 0.66 0.00 0.00 46.19 46.20 2rmm s LEU 5 CO 0.00 0.04 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.74 2rmm s ILE 6 N 0.42 2.78 -0.25 6.68 1.01 0.06 -1.08 121.20 130.82 2rmm s ILE 6 Ca -0.07 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 2rmm s ILE 6 Cb -0.11 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 2rmm s ILE 6 CO 0.01 0.50 0.02 -0.22 0.00 0.00 0.00 174.94 175.25 2rmm s LEU 7 N 0.99 3.33 -0.25 2.97 0.20 0.13 -0.60 118.68 125.45 2rmm s LEU 7 Ca -0.02 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.34 2rmm s LEU 7 Cb -0.15 -1.82 0.06 0.00 -0.43 0.00 0.00 46.19 43.85 2rmm s LEU 7 CO -0.02 -0.09 -0.12 0.20 -0.29 0.00 0.00 176.35 176.04 2rmm s ASN 8 N 1.50 4.30 0.29 3.68 0.01 0.27 -1.51 114.94 123.48 2rmm s ASN 8 Ca 0.04 -1.32 -0.12 0.00 -0.71 0.00 0.00 52.86 50.76 2rmm s ASN 8 Cb -0.16 -1.53 0.01 0.00 0.41 0.00 0.00 41.25 39.98 2rmm s ASN 8 CO -0.00 -0.17 0.54 -0.83 -1.51 0.00 0.00 177.10 175.13 2rmm s GLY 9 N 1.13 0.63 0.13 0.66 0.00 -0.63 -2.38 107.32 106.85 2rmm s GLY 9 Ca -0.08 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 2rmm s GLY 9 CO -0.06 -0.60 1.28 0.50 0.00 0.00 0.00 173.10 174.22 2rmm h LYS 10 N 2.17 0.24 0.00 2.90 1.57 -1.95 -3.34 116.57 118.16 2rmm h LYS 10 Ca -0.26 -0.31 -0.23 0.00 -1.87 0.00 0.00 60.65 57.97 2rmm h LYS 10 Cb 1.25 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.62 2rmm h LYS 10 CO 0.35 1.07 -1.24 1.79 -0.57 0.00 0.00 179.45 180.85 2rmm h THR 11 N 0.11 1.34 -2.80 -0.16 1.35 -1.97 -3.48 112.91 107.30 2rmm h THR 11 Ca -0.07 -3.08 -0.11 0.00 -0.55 0.00 0.00 66.41 62.60 2rmm h THR 11 Cb 1.69 2.66 -0.20 0.00 -1.73 0.00 0.00 68.15 70.56 2rmm h THR 11 CO 0.16 0.77 -0.17 -0.22 -0.25 0.00 0.00 175.52 175.80 2rmm s LEU 12 N -6.46 0.51 -0.01 3.87 2.96 -1.25 -5.13 118.68 113.16 2rmm s LEU 12 Ca -0.01 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2rmm s LEU 12 Cb 0.09 1.54 0.01 0.00 0.50 0.00 0.00 46.19 48.33 2rmm s LEU 12 CO 0.82 -0.46 0.03 -0.54 -1.32 0.00 0.00 176.35 174.88 2rmm s LYS 13 N -1.20 0.03 0.00 1.98 1.02 -1.26 -1.61 119.74 118.69 2rmm s LYS 13 Ca -0.12 0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.93 2rmm s LYS 13 Cb -0.04 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 2rmm s LYS 13 CO 0.05 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 2rmm n GLY 14 N 3.18 -1.31 3.11 -3.33 0.00 -0.57 -5.01 105.19 101.27 2rmm n GLY 14 Ca -0.14 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.68 0.39 0.12 1.61 2.02 -1.26 -0.69 118.70 120.21 2rmm s GLU 15 Ca 0.00 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 54.94 2rmm s GLU 15 Cb 0.00 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.36 2rmm s GLU 15 CO 0.00 -0.08 -0.03 0.95 0.02 0.00 0.00 175.26 176.12 2rmm s THR 16 N -0.68 0.56 -0.03 3.63 -4.23 -0.24 -5.01 115.64 109.64 2rmm s THR 16 Ca -0.08 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 2rmm s THR 16 Cb -0.04 -1.83 0.01 0.00 1.34 0.00 0.00 72.50 71.97 2rmm s THR 16 CO 0.01 -0.72 0.09 -0.89 -0.54 0.00 0.00 174.62 172.57 2rmm s THR 17 N -3.72 0.03 0.17 3.99 2.01 -1.26 -0.35 115.64 116.50 2rmm s THR 17 Ca 0.16 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 61.88 2rmm s THR 17 Cb 0.06 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 2rmm s THR 17 CO -0.02 -0.11 0.25 0.28 -0.69 0.00 0.00 174.62 174.32 2rmm s THR 18 N -0.34 0.06 -0.11 -0.82 -1.32 -0.40 -5.01 115.64 107.69 2rmm s THR 18 Ca -0.04 -1.53 0.03 0.00 -1.21 0.00 0.00 61.69 58.94 2rmm s THR 18 Cb -0.03 -1.97 0.01 0.00 -1.51 0.00 0.00 72.50 69.00 2rmm s THR 18 CO 0.00 -0.27 -0.22 -0.70 -2.21 0.00 0.00 174.62 171.22 2rmm s GLU 19 N -4.00 2.91 0.18 7.08 2.12 -1.26 -0.64 118.70 125.08 2rmm s GLU 19 Ca 0.21 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.72 2rmm s GLU 19 Cb 0.04 -2.27 -0.05 0.00 0.26 0.00 0.00 34.13 32.11 2rmm s GLU 19 CO 0.02 0.08 0.04 0.00 -0.54 0.00 0.00 175.26 174.86 2rmm s ALA 20 N 0.58 1.30 0.16 6.30 0.00 -0.92 -4.94 121.76 124.24 2rmm s ALA 20 Ca -0.13 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 2rmm s ALA 20 Cb -0.17 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.72 2rmm s ALA 20 CO 0.04 -0.40 1.56 -0.24 0.00 0.00 0.00 175.76 176.72 2rmm h VAL 21 N 2.67 1.27 -3.37 0.00 3.04 -1.95 -2.55 116.25 115.36 2rmm h VAL 21 Ca -0.37 -1.33 -0.00 0.00 -1.01 0.00 0.00 66.70 64.00 2rmm h VAL 21 Cb 1.21 1.09 -0.07 0.00 -2.01 0.00 0.00 31.29 31.51 2rmm h VAL 21 CO 0.61 0.46 0.03 -0.62 -1.01 0.00 0.00 177.57 177.04 2rmm s ASP 22 N -6.65 -0.16 0.58 3.17 -1.08 -1.26 -4.73 116.67 106.53 2rmm s ASP 22 Ca -0.12 -0.79 0.29 0.00 -0.52 0.00 0.00 52.55 51.40 2rmm s ASP 22 Cb 0.12 0.65 1.49 0.00 -1.46 0.00 0.00 42.92 43.72 2rmm s ASP 22 CO 0.86 -1.23 1.93 0.00 0.52 0.00 0.00 175.17 177.26 2rmm h ALA 23 N 2.15 2.22 -0.11 3.66 0.00 -1.97 -0.91 119.26 124.30 2rmm h ALA 23 Ca -0.23 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2rmm h ALA 23 Cb 1.25 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2rmm h ALA 23 CO 0.30 -0.69 -0.66 0.00 0.00 0.00 0.00 179.25 178.21 2rmm h ALA 24 N 1.54 0.23 -0.24 0.00 0.00 -1.98 -0.93 119.26 117.88 2rmm h ALA 24 Ca 0.22 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 2rmm h ALA 24 Cb 1.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2rmm h ALA 24 CO -0.00 0.52 -0.31 1.15 0.00 0.00 0.00 179.25 180.61 2rmm h THR 25 N 0.30 1.32 -0.82 0.00 2.02 -1.67 -0.90 112.91 113.16 2rmm h THR 25 Ca -0.05 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 2rmm h THR 25 Cb 1.30 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 69.41 2rmm h THR 25 CO 0.14 0.47 0.45 0.00 0.37 0.00 0.00 175.52 176.95 2rmm h ALA 26 N 0.65 1.26 -0.03 6.16 0.00 -1.25 0.33 119.26 126.38 2rmm h ALA 26 Ca 0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2rmm h ALA 26 Cb 0.89 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2rmm h ALA 26 CO 0.07 0.61 -0.57 1.05 0.00 0.00 0.00 179.25 180.41 2rmm h GLU 27 N 1.14 0.10 -0.28 0.00 4.11 -1.20 -1.76 114.58 116.69 2rmm h GLU 27 Ca 0.29 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.64 2rmm h GLU 27 Cb 0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2rmm h GLU 27 CO -0.05 0.64 0.11 -0.22 0.07 0.00 0.00 179.01 179.56 2rmm h LYS 28 N 0.08 0.43 0.22 1.06 3.64 -0.13 -0.31 116.57 121.54 2rmm h LYS 28 Ca -0.00 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2rmm h LYS 28 Cb 1.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2rmm h LYS 28 CO 0.08 0.46 -0.17 0.28 -2.27 0.00 0.00 179.45 177.83 2rmm h VAL 29 N 0.31 0.63 -0.83 2.00 2.07 -0.91 -1.39 116.25 118.14 2rmm h VAL 29 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2rmm h VAL 29 Cb 0.19 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2rmm h VAL 29 CO -0.01 0.00 0.54 -0.26 0.02 0.00 0.00 177.57 177.86 2rmm h PHE 30 N -0.39 1.04 0.00 1.57 0.04 -1.31 -0.81 116.94 117.08 2rmm h PHE 30 Ca -0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 2rmm h PHE 30 Cb 0.35 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2rmm h PHE 30 CO -0.12 0.66 -0.20 0.87 -0.60 0.00 0.00 178.31 178.93 2rmm h LYS 31 N 1.12 0.00 -0.56 1.51 1.57 -0.82 -0.47 116.57 118.93 2rmm h LYS 31 Ca 0.30 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.97 2rmm h LYS 31 Cb -0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2rmm h LYS 31 CO -0.06 0.20 -0.08 0.37 -0.57 0.00 0.00 179.45 179.30 2rmm h GLN 32 N 0.00 1.03 0.00 3.15 5.75 -0.01 -1.56 115.11 123.48 2rmm h GLN 32 Ca -0.00 -0.37 -0.13 0.00 -0.15 0.00 0.00 58.65 58.00 2rmm h GLN 32 Cb 0.52 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 2rmm h GLN 32 CO 0.03 1.05 -0.63 1.88 -2.65 0.00 0.00 178.83 178.51 2rmm h TYR 33 N 0.92 0.00 -0.02 3.99 -1.99 -1.23 -3.40 116.97 115.24 2rmm h TYR 33 Ca 0.15 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.76 2rmm h TYR 33 Cb 0.65 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 39.13 2rmm h TYR 33 CO 0.04 0.63 -0.84 1.19 -0.00 0.00 0.00 178.16 179.18 2rmm n PHE 34 N -3.33 0.07 0.32 4.88 3.72 -0.21 -4.89 117.46 118.03 2rmm n PHE 34 Ca 0.01 -0.94 -0.16 0.00 -0.05 0.00 0.00 57.45 56.31 2rmm n PHE 34 Cb 0.75 -0.19 -0.08 0.00 -0.94 0.00 0.00 39.48 39.02 2rmm n PHE 34 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 2rmm h ASN 35 N 1.06 -0.67 0.00 4.37 7.08 -1.51 -3.44 115.58 122.47 2rmm h ASN 35 Ca -0.13 -0.01 -0.08 0.00 -3.08 0.00 0.00 56.30 53.00 2rmm h ASN 35 Cb 1.55 0.17 -0.09 0.00 -2.08 0.00 0.00 38.32 37.87 2rmm h ASN 35 CO 0.08 -0.41 -0.23 -0.90 -2.08 0.00 0.00 177.43 173.89 2rmm n ASP 36 N -5.39 -0.46 -0.29 6.14 5.68 -1.26 -4.69 116.55 116.29 2rmm n ASP 36 Ca -0.12 -1.61 0.02 0.00 -0.50 0.00 0.00 54.79 52.57 2rmm n ASP 36 Cb 0.34 0.13 0.15 0.00 -1.14 0.00 0.00 41.12 40.60 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 0.06 0.69 0.00 -1.12 2.35 -1.90 -3.45 115.58 112.20 2rmm h ASN 37 Ca -0.30 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2rmm h ASN 37 Cb 1.28 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2rmm h ASN 37 CO -0.14 0.42 0.00 0.61 -1.65 0.00 0.00 177.43 176.66 2rmm n GLY 38 N -1.32 0.09 0.23 2.83 0.00 -1.26 -5.03 105.19 100.74 2rmm n GLY 38 Ca 0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2rmm n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2rmm h VAL 39 N 0.00 1.19 -6.71 1.61 3.04 -1.94 -3.47 116.25 109.97 2rmm h VAL 39 Ca 0.00 -0.52 -0.55 0.00 -1.01 0.00 0.00 66.70 64.62 2rmm h VAL 39 Cb 0.00 0.58 -0.33 0.00 -2.01 0.00 0.00 31.29 29.53 2rmm h VAL 39 CO 0.00 0.21 -0.80 -0.67 -1.01 0.00 0.00 177.57 175.30 2rmm n ASP 40 N -4.61 -1.42 -4.90 3.17 2.03 -1.26 -4.72 116.55 104.83 2rmm n ASP 40 Ca 0.02 -1.10 -0.28 0.00 0.52 0.00 0.00 54.79 53.95 2rmm n ASP 40 Cb 0.11 -1.40 0.08 0.00 -0.72 0.00 0.00 41.12 39.19 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 -3.07 1.61 -0.07 0.27 0.00 -1.26 -4.97 107.32 99.83 2rmm s GLY 41 Ca 0.68 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 2rmm s GLY 41 CO 0.90 -0.22 1.44 1.85 0.00 0.00 0.00 173.10 177.08 2rmm s GLU 42 N -5.51 4.23 0.24 2.90 2.12 0.18 -4.73 118.70 118.14 2rmm s GLU 42 Ca 0.62 1.94 -0.25 0.00 0.36 0.00 0.00 54.97 57.63 2rmm s GLU 42 Cb -0.11 -3.78 -0.09 0.00 0.26 0.00 0.00 34.13 30.41 2rmm s GLU 42 CO 0.48 -0.71 0.85 -1.58 -0.54 0.00 0.00 175.26 173.77 2rmm s TRP 43 N 3.33 3.81 0.05 5.30 0.52 -1.26 -2.44 118.94 128.25 2rmm s TRP 43 Ca 0.64 1.70 -0.00 0.00 0.02 0.00 0.00 56.10 58.45 2rmm s TRP 43 Cb -0.29 -2.83 -0.04 0.00 -1.15 0.00 0.00 33.47 29.16 2rmm s TRP 43 CO 0.24 0.37 -0.04 0.99 0.02 0.00 0.00 176.95 178.53 2rmm s THR 44 N -1.38 0.29 -0.03 2.01 2.01 -0.17 -5.00 115.64 113.37 2rmm s THR 44 Ca 0.43 -1.65 -0.04 0.00 0.31 0.00 0.00 61.69 60.74 2rmm s THR 44 Cb -0.21 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.02 2rmm s THR 44 CO 0.26 -0.87 0.11 -0.47 -0.69 0.00 0.00 174.62 172.95 2rmm s TYR 45 N -3.35 -0.09 -0.22 4.92 5.04 -1.26 -1.14 117.35 121.25 2rmm s TYR 45 Ca 0.03 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 2rmm s TYR 45 Cb 0.04 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.40 2rmm s TYR 45 CO -0.07 -0.08 -0.13 0.34 -1.34 0.00 0.00 175.55 174.26 2rmm s ASP 46 N -0.14 3.83 0.21 4.32 -1.08 0.15 -5.01 116.67 118.96 2rmm s ASP 46 Ca -0.02 -0.85 0.15 0.00 -0.52 0.00 0.00 52.55 51.31 2rmm s ASP 46 Cb -0.02 -1.57 -0.01 0.00 -1.46 0.00 0.00 42.92 39.86 2rmm s ASP 46 CO 0.00 -0.08 1.27 -0.78 0.52 0.00 0.00 175.17 176.11 2rmm h ASP 47 N 7.94 0.00 0.19 -0.34 3.58 -1.96 -0.60 116.42 125.22 2rmm h ASP 47 Ca -0.36 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 2rmm h ASP 47 Cb 1.11 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2rmm h ASP 47 CO 0.58 0.57 -0.08 0.00 -2.88 0.00 0.00 179.24 177.43 2rmm h ALA 48 N 1.43 1.45 0.00 -0.78 0.00 -1.97 -3.25 119.26 116.13 2rmm h ALA 48 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2rmm h ALA 48 Cb 1.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2rmm h ALA 48 CO 0.07 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.66 2rmm n THR 49 N -3.83 0.08 -3.69 0.00 -2.24 -1.22 -5.04 114.28 98.33 2rmm n THR 49 Ca -0.02 -0.32 -0.27 0.00 -2.27 0.00 0.00 64.05 61.16 2rmm n THR 49 Cb 0.17 1.34 0.03 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.04 -5.67 -4.96 -0.78 4.76 -0.31 -4.86 118.16 106.30 2rmm n LYS 50 Ca 0.00 0.66 -0.28 0.00 -2.87 0.00 0.00 58.31 55.83 2rmm n LYS 50 Cb 0.14 -5.56 -0.16 0.00 -1.84 0.00 0.00 35.03 27.61 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 -3.24 1.61 0.01 -0.18 2.01 -0.72 -1.90 115.64 113.23 2rmm s THR 51 Ca 0.58 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2rmm s THR 51 Cb -0.28 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2rmm s THR 51 CO 0.72 0.46 0.03 -0.36 -0.69 0.00 0.00 174.62 174.78 2rmm s PHE 52 N -0.08 3.14 0.03 4.92 0.08 0.64 -0.67 117.98 126.04 2rmm s PHE 52 Ca -0.02 0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.19 2rmm s PHE 52 Cb -0.12 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2rmm s PHE 52 CO 0.02 0.50 -0.15 0.99 -0.10 0.00 0.00 175.22 176.47 2rmm s THR 53 N -1.16 1.21 -0.08 0.64 2.01 -0.29 -0.76 115.64 117.21 2rmm s THR 53 Ca 0.22 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 2rmm s THR 53 Cb -0.12 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.35 2rmm s THR 53 CO 0.13 0.11 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.44 2rmm s VAL 54 N -0.72 0.66 -0.01 3.82 1.01 0.23 -0.99 120.40 124.40 2rmm s VAL 54 Ca 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2rmm s VAL 54 Cb -0.07 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 2rmm s VAL 54 CO 0.01 0.30 -0.07 -0.89 0.00 0.00 0.00 175.10 174.45 2rmm s THR 55 N 1.72 0.52 -2.17 3.92 2.01 -1.02 -0.57 115.64 120.06 2rmm s THR 55 Ca 0.03 -0.28 0.31 0.00 0.31 0.00 0.00 61.69 62.06 2rmm s THR 55 Cb -0.13 -0.44 0.79 0.00 0.01 0.00 0.00 72.50 72.73 2rmm s THR 55 CO -0.05 0.15 2.07 -0.62 -0.69 0.00 0.00 174.62 175.48