#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 4.46 0.22 2.12 2.00 -1.26 -1.61 119.66 125.59 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 -3.28 -0.05 0.00 0.80 0.00 0.00 33.01 30.49 2rmm s GLN 2 CO 0.00 -0.16 -0.16 0.71 -0.50 0.00 0.00 175.29 175.18 2rmm s TYR 3 N 0.37 1.86 0.08 1.67 1.51 0.19 -4.90 117.35 118.13 2rmm s TYR 3 Ca 0.55 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 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 0.34 0.43 -0.08 0.21 -1.11 0.00 0.00 175.55 175.34 2rmm s LYS 4 N -3.49 0.72 -0.07 -0.62 2.20 -0.83 -1.37 119.74 116.29 2rmm s LYS 4 Ca 0.23 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 2rmm s LYS 4 Cb -0.02 -0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.01 2rmm s LYS 4 CO 0.09 0.03 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.89 2rmm s LEU 5 N -2.36 1.12 -0.21 5.43 1.98 0.47 -0.40 118.68 124.71 2rmm s LEU 5 Ca 0.02 -0.16 -0.06 0.00 -2.89 0.00 0.00 54.13 51.04 2rmm s LEU 5 Cb -0.02 -0.55 -0.03 0.00 0.66 0.00 0.00 46.19 46.25 2rmm s LEU 5 CO -0.02 -0.10 0.03 -0.63 -1.89 0.00 0.00 176.35 173.75 2rmm s ILE 6 N 1.33 4.25 -0.25 6.68 1.01 -0.02 -1.00 121.20 133.20 2rmm s ILE 6 Ca -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2rmm s ILE 6 Cb -0.14 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.42 2rmm s ILE 6 CO -0.02 0.41 -0.04 -0.22 0.00 0.00 0.00 174.94 175.07 2rmm s LEU 7 N 1.00 3.24 -0.24 2.97 2.96 0.10 -0.56 118.68 128.15 2rmm s LEU 7 Ca 0.03 -0.77 0.02 0.00 -0.22 0.00 0.00 54.13 53.19 2rmm s LEU 7 Cb -0.14 -1.71 0.05 0.00 0.50 0.00 0.00 46.19 44.89 2rmm s LEU 7 CO 0.02 -0.12 -0.13 0.20 -1.32 0.00 0.00 176.35 175.00 2rmm s ASN 8 N 1.38 4.05 0.26 3.68 0.01 0.25 -1.09 114.94 123.47 2rmm s ASN 8 Ca 0.01 -1.18 -0.17 0.00 -0.71 0.00 0.00 52.86 50.82 2rmm s ASN 8 Cb -0.16 -1.52 0.01 0.00 0.41 0.00 0.00 41.25 39.99 2rmm s ASN 8 CO -0.03 -0.14 0.59 -0.83 -1.51 0.00 0.00 177.10 175.18 2rmm s GLY 9 N 1.17 0.20 0.07 0.66 0.00 -0.98 -2.12 107.32 106.32 2rmm s GLY 9 Ca -0.05 -0.56 -0.08 0.00 0.00 0.00 0.00 44.72 44.03 2rmm s GLY 9 CO -0.07 -0.35 1.12 0.50 0.00 0.00 0.00 173.10 174.30 2rmm h LYS 10 N 2.13 0.38 0.00 2.90 1.57 -1.96 -3.36 116.57 118.24 2rmm h LYS 10 Ca -0.23 -0.61 -0.19 0.00 -1.87 0.00 0.00 60.65 57.75 2rmm h LYS 10 Cb 1.25 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.75 2rmm h LYS 10 CO 0.30 1.28 -1.39 1.79 -0.57 0.00 0.00 179.45 180.86 2rmm h THR 11 N 0.13 0.66 -2.78 -0.16 1.35 -1.98 -3.48 112.91 106.65 2rmm h THR 11 Ca -0.16 -2.23 -0.11 0.00 -0.55 0.00 0.00 66.41 63.36 2rmm h THR 11 Cb 1.97 2.19 -0.21 0.00 -1.73 0.00 0.00 68.15 70.37 2rmm h THR 11 CO 0.22 0.37 -0.18 -0.22 -0.25 0.00 0.00 175.52 175.46 2rmm s LEU 12 N -5.95 0.48 0.09 3.87 0.20 -1.26 -5.18 118.68 110.93 2rmm s LEU 12 Ca -0.03 0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.21 2rmm s LEU 12 Cb 0.08 1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 47.33 2rmm s LEU 12 CO 0.81 -0.39 -0.06 -0.54 -0.29 0.00 0.00 176.35 175.87 2rmm s LYS 13 N -0.89 0.78 0.00 1.98 1.02 -1.26 -2.31 119.74 119.06 2rmm s LYS 13 Ca -0.09 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.63 2rmm s LYS 13 Cb -0.04 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.09 2rmm s LYS 13 CO 0.04 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 2rmm n GLY 14 N 0.13 -1.41 2.97 -3.33 0.00 -0.25 -5.00 105.19 98.31 2rmm n GLY 14 Ca -0.13 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.20 0.13 0.10 1.61 2.02 -1.26 -0.72 118.70 119.38 2rmm s GLU 15 Ca 0.00 0.45 0.02 0.00 0.02 0.00 0.00 54.97 55.46 2rmm s GLU 15 Cb 0.00 -0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 2rmm s GLU 15 CO 0.00 -0.18 -0.08 0.95 0.02 0.00 0.00 175.26 175.98 2rmm s THR 16 N 1.30 0.79 -0.06 3.63 -4.23 -0.17 -5.01 115.64 111.89 2rmm s THR 16 Ca -0.08 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 2rmm s THR 16 Cb -0.11 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.09 2rmm s THR 16 CO -0.07 -0.81 0.17 -0.89 -0.54 0.00 0.00 174.62 172.48 2rmm s THR 17 N -3.40 0.01 0.15 3.99 2.01 -1.26 -0.39 115.64 116.75 2rmm s THR 17 Ca 0.11 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 2rmm s THR 17 Cb 0.04 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 2rmm s THR 17 CO -0.03 -0.04 0.16 0.28 -0.69 0.00 0.00 174.62 174.29 2rmm s THR 18 N -0.08 0.07 -0.16 -0.82 -1.32 -0.47 -5.01 115.64 107.85 2rmm s THR 18 Ca -0.02 -1.73 0.01 0.00 -1.21 0.00 0.00 61.69 58.75 2rmm s THR 18 Cb -0.02 -2.04 0.02 0.00 -1.51 0.00 0.00 72.50 68.95 2rmm s THR 18 CO 0.00 -0.34 -0.19 -0.70 -2.21 0.00 0.00 174.62 171.19 2rmm s GLU 19 N -4.03 2.82 0.16 7.08 2.12 -1.26 -0.64 118.70 124.95 2rmm s GLU 19 Ca 0.23 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2rmm s GLU 19 Cb 0.06 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 2rmm s GLU 19 CO 0.03 -0.16 0.02 0.00 -0.54 0.00 0.00 175.26 174.61 2rmm s ALA 20 N 1.19 1.22 0.15 6.30 0.00 -0.63 -4.92 121.76 125.05 2rmm s ALA 20 Ca 0.01 -1.56 -0.11 0.00 0.00 0.00 0.00 51.96 50.30 2rmm s ALA 20 Cb -0.14 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 2rmm s ALA 20 CO -0.09 -0.37 1.53 -0.24 0.00 0.00 0.00 175.76 176.60 2rmm h VAL 21 N 2.74 1.27 -3.75 0.00 3.04 -1.96 -1.21 116.25 116.39 2rmm h VAL 21 Ca -0.36 -1.33 -0.08 0.00 -1.01 0.00 0.00 66.70 63.91 2rmm h VAL 21 Cb 1.20 1.18 -0.11 0.00 -2.01 0.00 0.00 31.29 31.56 2rmm h VAL 21 CO 0.62 0.46 -0.20 -0.62 -1.01 0.00 0.00 177.57 176.81 2rmm s ASP 22 N -6.61 -0.05 0.55 3.17 2.15 -1.26 -4.65 116.67 109.96 2rmm s ASP 22 Ca -0.12 -0.88 0.28 0.00 0.43 0.00 0.00 52.55 52.27 2rmm s ASP 22 Cb 0.11 0.52 1.46 0.00 -0.30 0.00 0.00 42.92 44.71 2rmm s ASP 22 CO 0.85 -1.02 1.95 0.00 -0.17 0.00 0.00 175.17 176.78 2rmm h ALA 23 N 2.37 2.48 -0.10 3.66 0.00 -1.97 0.20 119.26 125.90 2rmm h ALA 23 Ca -0.29 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2rmm h ALA 23 Cb 1.24 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2rmm h ALA 23 CO 0.41 -0.78 -0.68 0.00 0.00 0.00 0.00 179.25 178.21 2rmm h ALA 24 N 1.62 0.22 -0.17 0.00 0.00 -1.97 -1.13 119.26 117.82 2rmm h ALA 24 Ca 0.28 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2rmm h ALA 24 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2rmm h ALA 24 CO -0.00 0.52 -0.09 1.15 0.00 0.00 0.00 179.25 180.83 2rmm h THR 25 N 0.29 1.31 -0.84 0.00 2.02 -1.69 -0.65 112.91 113.34 2rmm h THR 25 Ca -0.06 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 2rmm h THR 25 Cb 1.32 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.41 2rmm h THR 25 CO 0.14 0.34 0.46 0.00 0.37 0.00 0.00 175.52 176.84 2rmm h ALA 26 N 0.67 1.23 -0.04 6.16 0.00 -1.07 -0.06 119.26 126.15 2rmm h ALA 26 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2rmm h ALA 26 Cb 0.58 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2rmm h ALA 26 CO 0.03 0.63 -0.53 1.05 0.00 0.00 0.00 179.25 180.42 2rmm h GLU 27 N 1.18 0.11 -0.13 0.00 4.11 -1.23 -1.04 114.58 117.58 2rmm h GLU 27 Ca 0.30 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.66 2rmm h GLU 27 Cb 0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2rmm h GLU 27 CO -0.05 0.61 0.06 -0.22 0.07 0.00 0.00 179.01 179.48 2rmm h LYS 28 N 0.09 0.19 0.01 1.06 3.11 -0.17 -0.29 116.57 120.56 2rmm h LYS 28 Ca -0.00 -0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.82 2rmm h LYS 28 Cb 0.96 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.14 2rmm h LYS 28 CO 0.07 0.26 -0.09 0.28 -2.81 0.00 0.00 179.45 177.16 2rmm h VAL 29 N 0.07 0.76 -0.90 2.00 2.07 -0.94 -1.32 116.25 117.99 2rmm h VAL 29 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2rmm h VAL 29 Cb 0.14 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2rmm h VAL 29 CO -0.00 0.00 0.53 -0.26 0.02 0.00 0.00 177.57 177.85 2rmm h PHE 30 N -0.17 1.19 0.00 1.57 0.04 -1.17 -1.63 116.94 116.77 2rmm h PHE 30 Ca 0.03 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2rmm h PHE 30 Cb 0.21 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 2rmm h PHE 30 CO -0.16 0.80 -0.02 0.87 -0.60 0.00 0.00 178.31 179.20 2rmm h LYS 31 N 1.24 0.00 -0.23 1.51 1.57 -0.78 -0.42 116.57 119.46 2rmm h LYS 31 Ca 0.32 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.93 2rmm h LYS 31 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2rmm h LYS 31 CO -0.06 0.02 -0.53 0.37 -0.57 0.00 0.00 179.45 178.68 2rmm h GLN 32 N 0.00 0.76 0.00 3.15 4.15 -0.26 -3.31 115.11 119.60 2rmm h GLN 32 Ca -0.00 -0.51 -0.11 0.00 0.77 0.00 0.00 58.65 58.80 2rmm h GLN 32 Cb 0.49 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2rmm h GLN 32 CO 0.00 1.14 -0.60 1.88 -1.93 0.00 0.00 178.83 179.32 2rmm h TYR 33 N 0.49 0.00 -3.25 3.99 -1.99 -1.29 -3.45 116.97 111.47 2rmm h TYR 33 Ca -0.00 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.25 2rmm h TYR 33 Cb 1.14 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.49 2rmm h TYR 33 CO 0.08 0.50 -0.78 -0.06 -0.00 0.00 0.00 178.16 177.91 2rmm s PHE 34 N -2.96 0.99 0.00 4.88 0.08 -0.18 -4.96 117.98 115.82 2rmm s PHE 34 Ca 0.03 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2rmm s PHE 34 Cb 0.08 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.55 2rmm s PHE 34 CO 0.75 -0.45 0.00 0.27 -0.10 0.00 0.00 175.22 175.69 2rmm n ASN 35 N 5.06 0.00 -0.04 1.36 0.23 -1.26 -4.23 115.26 116.39 2rmm n ASN 35 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 2rmm n ASN 35 Cb 0.49 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 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 -1.14 0.00 -0.16 0.53 5.75 -1.26 -3.22 116.55 117.04 2rmm n ASP 36 Ca 0.00 -1.07 0.07 0.00 -0.01 0.00 0.00 54.79 53.78 2rmm n ASP 36 Cb 0.00 -0.01 0.37 0.00 -1.03 0.00 0.00 41.12 40.45 2rmm n ASP 36 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2rmm h ASN 37 N 0.00 0.62 0.00 -1.12 7.08 -1.96 -3.45 115.58 116.76 2rmm h ASN 37 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2rmm h ASN 37 Cb 1.03 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.14 2rmm h ASN 37 CO 0.00 0.40 0.00 0.61 -2.08 0.00 0.00 177.43 176.36 2rmm n GLY 38 N -1.46 0.11 0.11 9.14 0.00 -1.26 -5.05 105.19 106.78 2rmm n GLY 38 Ca 0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 1.33 -6.68 1.61 3.04 -1.86 -3.47 116.25 110.21 2rmm h VAL 39 Ca 0.00 -1.14 -0.54 0.00 -1.01 0.00 0.00 66.70 64.01 2rmm h VAL 39 Cb 0.00 1.85 -0.27 0.00 -2.01 0.00 0.00 31.29 30.86 2rmm h VAL 39 CO 0.00 0.33 -0.80 -0.67 -1.01 0.00 0.00 177.57 175.42 2rmm n ASP 40 N -4.68 -0.56 -4.99 3.17 2.03 -1.20 -4.73 116.55 105.60 2rmm n ASP 40 Ca -0.06 -1.08 -0.21 0.00 0.52 0.00 0.00 54.79 53.96 2rmm n ASP 40 Cb 0.30 -1.37 0.03 0.00 -0.72 0.00 0.00 41.12 39.36 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 -3.46 1.95 0.10 0.27 0.00 -1.26 -4.96 107.32 99.96 2rmm s GLY 41 Ca 0.42 -1.86 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 2rmm s GLY 41 CO 0.87 -1.71 0.99 1.85 0.00 0.00 0.00 173.10 175.10 2rmm s GLU 42 N -4.48 4.66 0.06 2.90 2.56 0.27 -4.80 118.70 119.86 2rmm s GLU 42 Ca 0.53 1.49 -0.09 0.00 0.00 0.00 0.00 54.97 56.90 2rmm s GLU 42 Cb -0.05 -3.38 -0.05 0.00 2.00 0.00 0.00 34.13 32.65 2rmm s GLU 42 CO 0.33 0.14 0.36 -1.58 -0.56 0.00 0.00 175.26 173.95 2rmm s TRP 43 N 0.15 3.58 0.05 5.30 0.52 -1.26 -1.70 118.94 125.58 2rmm s TRP 43 Ca 0.48 0.72 0.00 0.00 0.02 0.00 0.00 56.10 57.32 2rmm s TRP 43 Cb -0.24 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 2rmm s TRP 43 CO 0.30 0.55 -0.04 0.99 0.02 0.00 0.00 176.95 178.77 2rmm s THR 44 N -1.36 0.29 -0.05 2.01 2.01 -0.26 -5.01 115.64 113.27 2rmm s THR 44 Ca 0.31 -1.47 -0.04 0.00 0.31 0.00 0.00 61.69 60.79 2rmm s THR 44 Cb -0.14 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.33 2rmm s THR 44 CO 0.17 -0.76 0.13 -0.47 -0.69 0.00 0.00 174.62 173.00 2rmm s TYR 45 N -2.85 -0.14 -0.30 4.92 5.04 -1.26 -0.79 117.35 121.96 2rmm s TYR 45 Ca -0.01 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 2rmm s TYR 45 Cb 0.00 0.05 0.07 0.00 0.35 0.00 0.00 41.96 42.43 2rmm s TYR 45 CO -0.05 -0.07 -0.01 -0.51 -1.34 0.00 0.00 175.55 173.56 2rmm s ASP 46 N 0.08 4.71 0.43 4.32 1.01 -0.28 -5.00 116.67 121.95 2rmm s ASP 46 Ca -0.00 -1.62 0.11 0.00 0.71 0.00 0.00 52.55 51.75 2rmm s ASP 46 Cb -0.01 -1.64 0.95 0.00 1.01 0.00 0.00 42.92 43.24 2rmm s ASP 46 CO 0.00 -0.29 2.01 -2.24 0.21 0.00 0.00 175.17 174.87 2rmm h ASP 47 N 7.81 0.18 -0.23 0.27 2.03 -1.96 -2.17 116.42 122.35 2rmm h ASP 47 Ca -0.15 -0.02 0.07 0.00 -0.73 0.00 0.00 57.03 56.19 2rmm h ASP 47 Cb 1.04 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.48 2rmm h ASP 47 CO 0.52 0.25 0.21 0.00 -1.03 0.00 0.00 179.24 179.19 2rmm h ALA 48 N 1.78 1.97 0.00 4.15 0.00 -1.96 -3.08 119.26 122.13 2rmm h ALA 48 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2rmm h ALA 48 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2rmm h ALA 48 CO 0.01 -0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.17 2rmm n THR 49 N -4.01 0.50 -4.46 0.00 -2.24 -1.04 -5.02 114.28 98.00 2rmm n THR 49 Ca 0.03 -0.53 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 2rmm n THR 49 Cb 0.35 0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.25 -0.76 -4.60 -0.78 4.76 -0.85 -4.88 118.16 110.80 2rmm n LYS 50 Ca 0.00 0.13 -0.23 0.00 -2.87 0.00 0.00 58.31 55.33 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 -3.46 1.11 -0.01 -0.18 2.01 -0.97 -1.97 115.64 112.17 2rmm s THR 51 Ca 0.65 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 2rmm s THR 51 Cb -0.38 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2rmm s THR 51 CO 1.01 0.33 0.13 -0.36 -0.69 0.00 0.00 174.62 175.05 2rmm s PHE 52 N 0.21 3.42 0.04 4.92 0.40 0.46 -1.12 117.98 126.31 2rmm s PHE 52 Ca -0.05 0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 2rmm s PHE 52 Cb -0.11 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2rmm s PHE 52 CO 0.02 0.60 -0.20 0.99 0.70 0.00 0.00 175.22 177.33 2rmm s THR 53 N -1.26 1.58 -0.08 0.64 2.01 0.02 -0.84 115.64 117.71 2rmm s THR 53 Ca 0.25 -1.14 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 2rmm s THR 53 Cb -0.12 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.04 2rmm s THR 53 CO 0.16 0.20 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.56 2rmm s VAL 54 N -0.78 0.66 -0.01 3.82 1.01 0.28 -1.11 120.40 124.28 2rmm s VAL 54 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2rmm s VAL 54 Cb -0.09 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 2rmm s VAL 54 CO 0.01 0.29 -0.07 -0.89 0.00 0.00 0.00 175.10 174.45 2rmm s THR 55 N 1.62 0.54 -2.00 3.92 2.01 -0.69 -0.58 115.64 120.46 2rmm s THR 55 Ca 0.01 -0.29 0.29 0.00 0.31 0.00 0.00 61.69 62.01 2rmm s THR 55 Cb -0.13 -0.46 0.83 0.00 0.01 0.00 0.00 72.50 72.75 2rmm s THR 55 CO -0.05 0.16 2.07 -0.62 -0.69 0.00 0.00 174.62 175.49