#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 4.53 0.21 2.12 2.00 -1.26 -2.06 119.66 125.20 2rmm s GLN 2 Ca 0.00 1.86 0.09 0.00 -2.00 0.00 0.00 55.36 55.30 2rmm s GLN 2 Cb 0.00 -3.23 -0.05 0.00 0.80 0.00 0.00 33.01 30.54 2rmm s GLN 2 CO 0.00 -0.01 -0.16 0.71 -0.50 0.00 0.00 175.29 175.33 2rmm s TYR 3 N -0.37 1.85 0.09 1.67 1.51 0.27 -4.88 117.35 117.48 2rmm s TYR 3 Ca 0.50 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 2rmm s TYR 3 Cb -0.32 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 2rmm s TYR 3 CO 0.38 0.43 -0.09 0.21 -1.11 0.00 0.00 175.55 175.37 2rmm s LYS 4 N -3.48 0.80 -0.07 -0.62 2.20 -0.55 -1.63 119.74 116.39 2rmm s LYS 4 Ca 0.23 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 2rmm s LYS 4 Cb -0.02 -0.45 0.02 0.00 -1.51 0.00 0.00 37.83 35.87 2rmm s LYS 4 CO 0.08 0.06 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.93 2rmm s LEU 5 N -2.40 1.06 -0.23 5.43 1.98 0.44 -0.48 118.68 124.49 2rmm s LEU 5 Ca 0.04 -0.16 -0.09 0.00 -2.89 0.00 0.00 54.13 51.03 2rmm s LEU 5 Cb -0.03 -0.55 -0.05 0.00 0.66 0.00 0.00 46.19 46.23 2rmm s LEU 5 CO -0.01 -0.11 0.13 -0.63 -1.89 0.00 0.00 176.35 173.84 2rmm s ILE 6 N 1.42 5.11 -0.29 6.68 1.01 0.00 -1.11 121.20 134.03 2rmm s ILE 6 Ca -0.03 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 2rmm s ILE 6 Cb -0.13 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 38.99 2rmm s ILE 6 CO -0.03 0.37 0.04 -0.22 0.00 0.00 0.00 174.94 175.11 2rmm s LEU 7 N 0.95 3.72 -0.09 2.97 2.96 -0.03 -0.76 118.68 128.40 2rmm s LEU 7 Ca 0.06 -0.79 0.04 0.00 -0.22 0.00 0.00 54.13 53.22 2rmm s LEU 7 Cb -0.13 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 2rmm s LEU 7 CO 0.03 -0.19 -0.24 0.20 -1.32 0.00 0.00 176.35 174.84 2rmm s ASN 8 N 1.44 3.04 0.05 3.68 0.01 0.33 -1.30 114.94 122.19 2rmm s ASN 8 Ca 0.01 -0.54 -0.28 0.00 -0.71 0.00 0.00 52.86 51.34 2rmm s ASN 8 Cb -0.17 -1.29 0.10 0.00 0.41 0.00 0.00 41.25 40.30 2rmm s ASN 8 CO 0.01 0.17 1.17 -0.83 -1.51 0.00 0.00 177.10 176.10 2rmm s GLY 9 N 0.26 -0.31 0.44 0.66 0.00 -1.12 -3.08 107.32 104.17 2rmm s GLY 9 Ca -0.16 0.41 0.24 0.00 0.00 0.00 0.00 44.72 45.21 2rmm s GLY 9 CO 0.08 0.51 1.68 0.50 0.00 0.00 0.00 173.10 175.87 2rmm h LYS 10 N 2.00 0.00 0.00 2.90 1.79 -1.78 -3.37 116.57 118.12 2rmm h LYS 10 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2rmm h LYS 10 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2rmm h LYS 10 CO 0.28 0.09 -0.76 0.25 -1.08 0.00 0.00 179.45 178.22 2rmm n THR 11 N -3.14 0.00 -3.72 -0.16 -2.24 -1.26 -5.07 114.28 98.69 2rmm n THR 11 Ca 0.03 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 2rmm n THR 11 Cb 0.50 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.45 0.51 0.06 3.22 2.96 -1.26 -5.18 118.68 116.54 2rmm s LEU 12 Ca 0.00 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2rmm s LEU 12 Cb 0.00 1.47 -0.03 0.00 0.50 0.00 0.00 46.19 48.13 2rmm s LEU 12 CO 0.00 -0.34 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.10 2rmm s LYS 13 N -0.69 0.60 0.00 1.98 1.02 -1.26 -2.77 119.74 118.62 2rmm s LYS 13 Ca -0.08 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.87 2rmm s LYS 13 Cb -0.04 -0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 2rmm s LYS 13 CO 0.03 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2rmm n GLY 14 N 0.63 -0.83 3.03 -3.33 0.00 -0.42 -4.99 105.19 99.28 2rmm n GLY 14 Ca -0.17 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.77 0.22 0.08 1.61 2.02 -1.26 -0.85 118.70 118.75 2rmm s GLU 15 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.07 2rmm s GLU 15 Cb 0.00 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 2rmm s GLU 15 CO 0.00 -0.04 -0.04 0.95 0.02 0.00 0.00 175.26 176.16 2rmm s THR 16 N -0.21 0.42 -0.05 3.63 -4.23 -0.27 -5.01 115.64 109.92 2rmm s THR 16 Ca -0.03 -1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2rmm s THR 16 Cb -0.02 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.18 2rmm s THR 16 CO 0.00 -0.89 0.13 -0.89 -0.54 0.00 0.00 174.62 172.44 2rmm s THR 17 N -3.80 0.01 0.17 3.99 2.01 -1.26 -0.42 115.64 116.33 2rmm s THR 17 Ca 0.11 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 2rmm s THR 17 Cb 0.07 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 2rmm s THR 17 CO -0.07 -0.04 0.22 0.28 -0.69 0.00 0.00 174.62 174.33 2rmm s THR 18 N -0.07 0.06 -0.13 -0.82 -1.32 -0.64 -5.02 115.64 107.70 2rmm s THR 18 Ca -0.01 -1.60 0.01 0.00 -1.21 0.00 0.00 61.69 58.88 2rmm s THR 18 Cb -0.02 -2.00 -0.00 0.00 -1.51 0.00 0.00 72.50 68.98 2rmm s THR 18 CO 0.00 -0.29 -0.18 -0.70 -2.21 0.00 0.00 174.62 171.25 2rmm s GLU 19 N -4.01 3.19 0.20 7.08 2.12 -1.26 -0.56 118.70 125.45 2rmm s GLU 19 Ca 0.22 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2rmm s GLU 19 Cb 0.05 -2.53 -0.05 0.00 0.26 0.00 0.00 34.13 31.86 2rmm s GLU 19 CO 0.02 0.09 0.07 0.00 -0.54 0.00 0.00 175.26 174.90 2rmm s ALA 20 N 0.60 1.39 0.11 6.30 0.00 -0.88 -4.94 121.76 124.35 2rmm s ALA 20 Ca -0.10 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.03 2rmm s ALA 20 Cb -0.16 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 2rmm s ALA 20 CO 0.03 -0.44 1.49 -0.24 0.00 0.00 0.00 175.76 176.60 2rmm h VAL 21 N 2.59 1.29 -3.76 0.00 3.04 -1.95 -2.62 116.25 114.83 2rmm h VAL 21 Ca -0.37 -1.28 -0.08 0.00 -1.01 0.00 0.00 66.70 63.96 2rmm h VAL 21 Cb 1.23 1.36 -0.11 0.00 -2.01 0.00 0.00 31.29 31.76 2rmm h VAL 21 CO 0.60 0.42 -0.20 1.51 -1.01 0.00 0.00 177.57 178.89 2rmm s ASP 22 N -6.43 -0.05 0.53 3.17 1.47 -1.26 -4.72 116.67 109.37 2rmm s ASP 22 Ca -0.12 -0.91 0.25 0.00 1.18 0.00 0.00 52.55 52.95 2rmm s ASP 22 Cb 0.10 0.53 1.40 0.00 -0.34 0.00 0.00 42.92 44.60 2rmm s ASP 22 CO 0.82 -1.04 1.99 0.00 0.68 0.00 0.00 175.17 177.63 2rmm h ALA 23 N 2.36 2.51 -0.05 2.11 0.00 -1.98 -0.82 119.26 123.39 2rmm h ALA 23 Ca -0.29 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 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 0.41 -0.66 -0.92 0.00 0.00 0.00 0.00 179.25 178.07 2rmm h ALA 24 N 1.73 0.27 -0.14 0.00 0.00 -1.97 0.08 119.26 119.23 2rmm h ALA 24 Ca 0.26 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2rmm h ALA 24 Cb 1.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2rmm h ALA 24 CO -0.00 0.72 -0.01 1.15 0.00 0.00 0.00 179.25 181.11 2rmm h THR 25 N 0.39 1.26 -0.54 0.00 2.02 -1.76 -0.10 112.91 114.18 2rmm h THR 25 Ca -0.09 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 2rmm h THR 25 Cb 1.56 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 2rmm h THR 25 CO 0.18 0.26 0.19 0.00 0.37 0.00 0.00 175.52 176.51 2rmm h ALA 26 N 0.75 1.31 -0.69 6.16 0.00 -1.22 -0.01 119.26 125.57 2rmm h ALA 26 Ca 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2rmm h ALA 26 Cb 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2rmm h ALA 26 CO 0.01 0.50 0.21 1.49 0.00 0.00 0.00 179.25 181.46 2rmm h GLU 27 N 0.78 1.07 -0.09 0.00 4.81 -0.96 -0.76 114.58 119.44 2rmm h GLU 27 Ca 0.18 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2rmm h GLU 27 Cb 0.20 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2rmm h GLU 27 CO -0.01 0.93 0.03 -0.22 -0.73 0.00 0.00 179.01 179.01 2rmm h LYS 28 N 1.01 0.14 -0.09 1.92 3.64 -0.22 0.16 116.57 123.13 2rmm h LYS 28 Ca 0.22 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2rmm h LYS 28 Cb 0.31 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2rmm h LYS 28 CO -0.01 0.28 -0.05 0.28 -2.27 0.00 0.00 179.45 177.69 2rmm h VAL 29 N -0.03 0.84 -0.71 2.00 2.07 -0.95 -1.42 116.25 118.05 2rmm h VAL 29 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2rmm h VAL 29 Cb 0.20 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2rmm h VAL 29 CO -0.00 0.00 0.41 -0.26 0.02 0.00 0.00 177.57 177.74 2rmm h PHE 30 N -0.05 0.94 0.00 1.57 0.04 -1.11 -1.65 116.94 116.68 2rmm h PHE 30 Ca 0.06 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 2rmm h PHE 30 Cb 0.13 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 2rmm h PHE 30 CO -0.17 0.64 -0.13 0.87 -0.60 0.00 0.00 178.31 178.92 2rmm h LYS 31 N 0.98 0.00 -0.32 1.51 1.57 -0.53 -0.39 116.57 119.39 2rmm h LYS 31 Ca 0.25 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 2rmm h LYS 31 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2rmm h LYS 31 CO -0.05 0.13 -0.35 1.96 -0.57 0.00 0.00 179.45 180.58 2rmm h GLN 32 N 0.00 0.73 0.00 3.15 7.50 -0.27 -3.26 115.11 122.96 2rmm h GLN 32 Ca -0.00 -0.35 -0.10 0.00 0.50 0.00 0.00 58.65 58.70 2rmm h GLN 32 Cb 0.49 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.00 2rmm h GLN 32 CO 0.02 0.96 -0.97 1.88 -1.50 0.00 0.00 178.83 179.23 2rmm h TYR 33 N 0.61 0.00 -3.51 2.96 -1.99 -1.41 -3.46 116.97 110.17 2rmm h TYR 33 Ca 0.06 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.21 2rmm h TYR 33 Cb 0.88 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.22 2rmm h TYR 33 CO 0.04 0.38 -0.78 -0.06 -0.00 0.00 0.00 178.16 177.74 2rmm s PHE 34 N -3.05 2.05 0.00 4.88 0.08 -0.17 -4.98 117.98 116.78 2rmm s PHE 34 Ca 0.00 -1.48 0.00 0.00 0.12 0.00 0.00 56.93 55.57 2rmm s PHE 34 Cb 0.08 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 2rmm s PHE 34 CO 0.78 -0.72 0.00 0.27 -0.10 0.00 0.00 175.22 175.45 2rmm n ASN 35 N 4.77 0.00 0.00 1.36 0.23 -1.26 -4.27 115.26 116.10 2rmm n ASN 35 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 2rmm n ASN 35 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2rmm n ASN 35 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2rmm n ASP 36 N 0.00 0.00 -0.10 0.53 9.92 -1.26 -0.75 116.55 124.89 2rmm n ASP 36 Ca 0.00 0.21 0.01 0.00 -0.53 0.00 0.00 54.79 54.48 2rmm n ASP 36 Cb 0.00 -0.21 0.31 0.00 -0.64 0.00 0.00 41.12 40.59 2rmm n ASP 36 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2rmm h ASN 37 N 0.00 0.66 0.00 -2.24 7.08 -1.95 -3.43 115.58 115.69 2rmm h ASN 37 Ca 0.00 -0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 2rmm h ASN 37 Cb 0.22 -0.17 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 2rmm h ASN 37 CO 0.00 0.53 0.00 0.61 -2.08 0.00 0.00 177.43 176.49 2rmm n GLY 38 N -1.30 0.30 2.24 9.14 0.00 -1.00 -5.04 105.19 109.53 2rmm n GLY 38 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.10 -0.73 1.61 0.24 0.07 -4.45 118.33 114.97 2rmm n VAL 39 Ca 0.00 -4.40 -0.08 0.00 -2.04 0.00 0.00 64.34 57.82 2rmm n VAL 39 Cb 0.08 -1.24 -0.11 0.00 -1.47 0.00 0.00 33.84 31.09 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 0.83 4.16 -1.37 -1.34 2.03 -1.18 -4.02 116.55 115.65 2rmm n ASP 40 Ca 0.24 -2.25 0.00 0.00 0.52 0.00 0.00 54.79 53.30 2rmm n ASP 40 Cb 0.57 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 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 2.45 3.37 3.77 0.27 0.00 -1.26 -5.03 105.19 108.76 2rmm n GLY 41 Ca 0.29 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.70 3.69 -0.07 1.61 2.56 -0.20 -4.88 118.70 120.71 2rmm s GLU 42 Ca 0.00 1.77 0.05 0.00 0.00 0.00 0.00 54.97 56.79 2rmm s GLU 42 Cb 0.00 -2.35 -0.00 0.00 2.00 0.00 0.00 34.13 33.77 2rmm s GLU 42 CO 0.00 -0.61 -0.23 -1.58 -0.56 0.00 0.00 175.26 172.28 2rmm s TRP 43 N -1.56 2.34 0.16 5.30 0.52 -1.26 -2.64 118.94 121.78 2rmm s TRP 43 Ca 0.65 -0.79 -0.01 0.00 0.02 0.00 0.00 56.10 55.97 2rmm s TRP 43 Cb -0.28 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 2rmm s TRP 43 CO 0.34 -0.28 0.07 -0.08 0.02 0.00 0.00 176.95 177.02 2rmm s THR 44 N 0.07 0.15 -0.13 2.01 -1.32 -0.95 -5.02 115.64 110.45 2rmm s THR 44 Ca -0.09 -1.94 -0.12 0.00 -1.21 0.00 0.00 61.69 58.32 2rmm s THR 44 Cb -0.15 -2.20 0.04 0.00 -1.51 0.00 0.00 72.50 68.68 2rmm s THR 44 CO 0.05 -0.32 0.35 -0.47 -2.21 0.00 0.00 174.62 172.02 2rmm s TYR 45 N -4.03 -0.39 -0.35 9.09 5.04 -1.26 -1.64 117.35 123.81 2rmm s TYR 45 Ca 0.29 0.96 0.02 0.00 -2.44 0.00 0.00 57.07 55.89 2rmm s TYR 45 Cb 0.07 0.14 0.10 0.00 0.35 0.00 0.00 41.96 42.61 2rmm s TYR 45 CO 0.05 -0.19 0.07 -0.51 -1.34 0.00 0.00 175.55 173.63 2rmm s ASP 46 N 0.25 4.87 0.38 4.32 1.01 0.03 -5.01 116.67 122.52 2rmm s ASP 46 Ca -0.01 -2.01 0.07 0.00 0.71 0.00 0.00 52.55 51.32 2rmm s ASP 46 Cb -0.03 -1.68 0.75 0.00 1.01 0.00 0.00 42.92 42.98 2rmm s ASP 46 CO -0.00 -0.40 1.94 -0.78 0.21 0.00 0.00 175.17 176.14 2rmm h ASP 47 N 7.75 0.35 -0.00 0.27 3.58 -1.96 -2.33 116.42 124.09 2rmm h ASP 47 Ca -0.09 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2rmm h ASP 47 Cb 1.03 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2rmm h ASP 47 CO 0.56 0.42 0.25 0.00 -2.88 0.00 0.00 179.24 177.59 2rmm h ALA 48 N 1.63 1.25 0.00 -0.78 0.00 -1.96 -1.62 119.26 117.78 2rmm h ALA 48 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2rmm h ALA 48 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2rmm h ALA 48 CO 0.01 -0.25 0.00 -2.37 0.00 0.00 0.00 179.25 176.64 2rmm n THR 49 N -2.94 0.49 -4.17 0.00 5.66 -1.09 -5.04 114.28 107.19 2rmm n THR 49 Ca -0.02 -0.52 -0.31 0.00 -3.05 0.00 0.00 64.05 60.14 2rmm n THR 49 Cb 0.30 0.81 -0.05 0.00 -1.55 0.00 0.00 70.33 69.84 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 -0.24 -2.38 -4.87 1.09 4.76 -0.61 -4.84 118.16 111.07 2rmm n LYS 50 Ca 0.00 0.29 -0.26 0.00 -2.87 0.00 0.00 58.31 55.46 2rmm n LYS 50 Cb 0.33 -4.42 -0.16 0.00 -1.84 0.00 0.00 35.03 28.94 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 -3.85 1.47 0.00 -0.18 2.01 -0.92 -1.48 115.64 112.68 2rmm s THR 51 Ca 0.26 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 2rmm s THR 51 Cb -0.14 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2rmm s THR 51 CO 0.94 0.42 0.09 -0.36 -0.69 0.00 0.00 174.62 175.02 2rmm s PHE 52 N -0.07 3.29 0.07 4.92 0.40 0.37 -0.79 117.98 126.17 2rmm s PHE 52 Ca -0.02 0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.59 2rmm s PHE 52 Cb -0.11 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 2rmm s PHE 52 CO 0.02 0.55 -0.20 0.99 0.70 0.00 0.00 175.22 177.28 2rmm s THR 53 N -1.22 1.59 -0.07 0.64 2.01 -0.65 -0.81 115.64 117.13 2rmm s THR 53 Ca 0.24 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 60.95 2rmm s THR 53 Cb -0.12 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 70.99 2rmm s THR 53 CO 0.15 0.07 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.37 2rmm s VAL 54 N -0.96 0.95 -0.01 3.82 1.01 0.06 -2.23 120.40 123.05 2rmm s VAL 54 Ca 0.06 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2rmm s VAL 54 Cb -0.09 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 2rmm s VAL 54 CO 0.03 0.33 -0.07 -0.89 0.00 0.00 0.00 175.10 174.50 2rmm s THR 55 N 1.01 0.52 0.00 3.92 2.01 -1.08 -0.51 115.64 121.50 2rmm s THR 55 Ca -0.09 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2rmm s THR 55 Cb -0.15 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2rmm s THR 55 CO -0.00 0.15 0.00 -0.62 -0.69 0.00 0.00 174.62 173.46