#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 4.51 0.21 3.17 2.00 -1.26 -2.22 119.66 126.07 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 -3.25 -0.05 0.00 0.80 0.00 0.00 33.01 30.52 2rmm s GLN 2 CO 0.00 -0.06 -0.16 0.71 -0.50 0.00 0.00 175.29 175.27 2rmm s TYR 3 N -0.08 1.85 0.07 1.67 2.02 0.10 -4.90 117.35 118.09 2rmm s TYR 3 Ca 0.52 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2rmm s TYR 3 Cb -0.32 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 2rmm s TYR 3 CO 0.36 0.43 -0.08 0.21 -1.57 0.00 0.00 175.55 174.91 2rmm s LYS 4 N -3.47 0.69 -0.06 -0.62 2.20 -0.80 -1.17 119.74 116.50 2rmm s LYS 4 Ca 0.23 -1.02 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 2rmm s LYS 4 Cb -0.02 -0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.02 2rmm s LYS 4 CO 0.08 0.03 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.89 2rmm s LEU 5 N -2.23 1.22 -0.16 5.43 1.98 0.39 -0.30 118.68 125.01 2rmm s LEU 5 Ca 0.00 -0.16 -0.05 0.00 -2.89 0.00 0.00 54.13 51.03 2rmm s LEU 5 Cb -0.03 -0.54 -0.03 0.00 0.66 0.00 0.00 46.19 46.24 2rmm s LEU 5 CO -0.02 -0.07 -0.01 -0.63 -1.89 0.00 0.00 176.35 173.73 2rmm s ILE 6 N 1.16 4.14 -0.22 6.68 1.01 -0.07 -0.96 121.20 132.94 2rmm s ILE 6 Ca -0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 2rmm s ILE 6 Cb -0.14 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 2rmm s ILE 6 CO -0.01 0.49 -0.03 -0.22 0.00 0.00 0.00 174.94 175.16 2rmm s LEU 7 N 0.35 2.96 -0.04 2.97 2.96 0.13 -0.59 118.68 127.42 2rmm s LEU 7 Ca -0.02 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2rmm s LEU 7 Cb -0.14 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2rmm s LEU 7 CO 0.02 -0.03 -0.21 0.20 -1.32 0.00 0.00 176.35 175.01 2rmm s ASN 8 N 1.48 3.44 0.07 3.68 0.01 0.35 -2.05 114.94 121.91 2rmm s ASN 8 Ca 0.06 -0.37 -0.17 0.00 -0.71 0.00 0.00 52.86 51.66 2rmm s ASN 8 Cb -0.14 -0.61 0.06 0.00 0.41 0.00 0.00 41.25 40.97 2rmm s ASN 8 CO -0.03 0.32 0.81 0.61 -1.51 0.00 0.00 177.10 177.30 2rmm n GLY 9 N 2.47 0.60 0.52 0.66 0.00 -1.21 -1.63 105.19 106.60 2rmm n GLY 9 Ca -0.17 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 44.88 2rmm n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rmm n LYS 10 N -0.58 1.23 0.00 1.61 4.76 -1.26 -4.57 118.16 119.35 2rmm n LYS 10 Ca 0.00 -1.21 0.00 0.00 -2.87 0.00 0.00 58.31 54.23 2rmm n LYS 10 Cb 0.41 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 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 0.57 0.00 -3.72 -0.18 -1.04 -1.26 -5.10 114.28 103.55 2rmm n THR 11 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 2rmm n THR 11 Cb 0.35 0.04 -0.09 0.00 -1.82 0.00 0.00 70.33 68.80 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 -0.33 0.46 0.04 -4.42 0.20 -1.26 -5.18 118.68 108.18 2rmm s LEU 12 Ca 0.00 0.59 -0.01 0.00 0.69 0.00 0.00 54.13 55.40 2rmm s LEU 12 Cb 0.00 1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 47.21 2rmm s LEU 12 CO 0.00 -0.28 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.22 2rmm s LYS 13 N -0.40 0.50 0.00 1.98 1.02 -1.26 -3.35 119.74 118.23 2rmm s LYS 13 Ca -0.05 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2rmm s LYS 13 Cb -0.03 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 2rmm s LYS 13 CO 0.03 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 2rmm n GLY 14 N 0.71 -1.32 3.13 -3.33 0.00 -0.87 -5.01 105.19 98.49 2rmm n GLY 14 Ca -0.18 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.77 0.31 0.06 1.61 2.02 -1.26 -0.70 118.70 119.97 2rmm s GLU 15 Ca 0.00 0.27 -0.00 0.00 0.02 0.00 0.00 54.97 55.26 2rmm s GLU 15 Cb 0.00 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 2rmm s GLU 15 CO 0.00 -0.04 -0.04 0.95 0.02 0.00 0.00 175.26 176.15 2rmm s THR 16 N -0.01 0.34 0.01 3.63 -4.23 -0.13 -5.02 115.64 110.22 2rmm s THR 16 Ca -0.01 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2rmm s THR 16 Cb -0.02 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 2rmm s THR 16 CO 0.01 -0.93 -0.01 -0.89 -0.54 0.00 0.00 174.62 172.25 2rmm s THR 17 N -3.68 0.07 0.16 3.99 2.01 -1.26 -0.46 115.64 116.46 2rmm s THR 17 Ca 0.07 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 2rmm s THR 17 Cb 0.06 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 2rmm s THR 17 CO -0.08 -0.15 0.21 0.28 -0.69 0.00 0.00 174.62 174.19 2rmm s THR 18 N -0.46 0.07 -0.15 -0.82 -1.32 -0.32 -5.01 115.64 107.63 2rmm s THR 18 Ca -0.05 -1.60 0.01 0.00 -1.21 0.00 0.00 61.69 58.84 2rmm s THR 18 Cb -0.03 -1.97 0.02 0.00 -1.51 0.00 0.00 72.50 69.01 2rmm s THR 18 CO -0.00 -0.31 -0.17 -0.70 -2.21 0.00 0.00 174.62 171.22 2rmm s GLU 19 N -4.01 2.60 0.17 7.08 2.12 -1.26 -0.72 118.70 124.68 2rmm s GLU 19 Ca 0.21 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.87 2rmm s GLU 19 Cb 0.05 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 2rmm s GLU 19 CO 0.02 -0.19 0.03 0.00 -0.54 0.00 0.00 175.26 174.58 2rmm s ALA 20 N 1.31 1.27 0.11 6.30 0.00 -0.94 -4.96 121.76 124.86 2rmm s ALA 20 Ca 0.03 -1.60 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 2rmm s ALA 20 Cb -0.13 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2rmm s ALA 20 CO -0.10 -0.39 1.55 -0.24 0.00 0.00 0.00 175.76 176.58 2rmm h VAL 21 N 2.69 1.26 -3.75 0.00 3.04 -1.96 -0.12 116.25 117.41 2rmm h VAL 21 Ca -0.36 -1.01 -0.08 0.00 -1.01 0.00 0.00 66.70 64.23 2rmm h VAL 21 Cb 1.21 1.21 -0.11 0.00 -2.01 0.00 0.00 31.29 31.59 2rmm h VAL 21 CO 0.61 0.33 -0.21 1.51 -1.01 0.00 0.00 177.57 178.80 2rmm s ASP 22 N -6.16 -0.05 0.62 3.17 1.47 -1.26 -4.42 116.67 110.04 2rmm s ASP 22 Ca -0.13 -0.85 0.30 0.00 1.18 0.00 0.00 52.55 53.05 2rmm s ASP 22 Cb 0.09 0.51 1.66 0.00 -0.34 0.00 0.00 42.92 44.83 2rmm s ASP 22 CO 0.78 -1.00 2.01 0.00 0.68 0.00 0.00 175.17 177.65 2rmm h ALA 23 N 2.40 1.73 0.06 2.11 0.00 -1.97 0.48 119.26 124.06 2rmm h ALA 23 Ca -0.30 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.37 2rmm h ALA 23 Cb 1.24 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.07 2rmm h ALA 23 CO 0.42 -0.40 -0.95 0.00 0.00 0.00 0.00 179.25 178.32 2rmm h ALA 24 N 1.58 0.04 -0.10 0.00 0.00 -1.97 -1.37 119.26 117.43 2rmm h ALA 24 Ca 0.09 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2rmm h ALA 24 Cb 0.70 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2rmm h ALA 24 CO -0.00 0.55 -0.05 1.15 0.00 0.00 0.00 179.25 180.90 2rmm h THR 25 N 0.11 1.32 -0.53 0.00 2.02 -1.71 -1.29 112.91 112.83 2rmm h THR 25 Ca -0.13 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 2rmm h THR 25 Cb 1.65 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 69.86 2rmm h THR 25 CO 0.18 0.30 0.32 0.00 0.37 0.00 0.00 175.52 176.70 2rmm h ALA 26 N 0.64 1.56 0.00 6.16 0.00 -1.03 0.16 119.26 126.75 2rmm h ALA 26 Ca 0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2rmm h ALA 26 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2rmm h ALA 26 CO 0.01 0.38 -0.68 1.05 0.00 0.00 0.00 179.25 180.02 2rmm h GLU 27 N 0.73 0.00 -0.58 0.00 4.11 -1.29 -1.36 114.58 116.19 2rmm h GLU 27 Ca 0.19 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.55 2rmm h GLU 27 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2rmm h GLU 27 CO -0.04 0.68 0.09 -0.22 0.07 0.00 0.00 179.01 179.59 2rmm h LYS 28 N 0.00 0.97 0.21 1.06 3.11 0.06 0.72 116.57 122.70 2rmm h LYS 28 Ca -0.01 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.56 2rmm h LYS 28 Cb 1.30 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 2rmm h LYS 28 CO 0.09 0.93 -0.10 0.28 -2.81 0.00 0.00 179.45 177.83 2rmm h VAL 29 N 0.87 0.82 -0.18 2.00 2.07 -0.97 -2.87 116.25 117.99 2rmm h VAL 29 Ca 0.18 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2rmm h VAL 29 Cb 0.43 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2rmm h VAL 29 CO 0.01 0.03 -0.01 -0.26 0.02 0.00 0.00 177.57 177.37 2rmm h PHE 30 N -0.35 0.27 0.00 1.57 0.04 -1.18 -0.28 116.94 117.01 2rmm h PHE 30 Ca -0.03 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 2rmm h PHE 30 Cb 0.27 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 2rmm h PHE 30 CO -0.05 0.29 -0.08 0.87 -0.60 0.00 0.00 178.31 178.74 2rmm h LYS 31 N 0.26 0.00 -0.19 1.51 6.56 -0.76 -0.66 116.57 123.29 2rmm h LYS 31 Ca 0.06 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.47 2rmm h LYS 31 Cb 0.19 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.86 2rmm h LYS 31 CO 0.00 0.08 -0.61 0.37 -2.06 0.00 0.00 179.45 177.24 2rmm h GLN 32 N 0.00 0.74 0.00 3.15 5.75 -0.82 -3.30 115.11 120.63 2rmm h GLN 32 Ca -0.00 -0.55 -0.14 0.00 -0.15 0.00 0.00 58.65 57.82 2rmm h GLN 32 Cb 0.17 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 2rmm h GLN 32 CO 0.01 1.17 -0.72 1.88 -2.65 0.00 0.00 178.83 178.51 2rmm h TYR 33 N 0.46 0.00 -3.26 3.99 -1.99 -1.43 -3.45 116.97 111.29 2rmm h TYR 33 Ca -0.02 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.19 2rmm h TYR 33 Cb 1.23 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.58 2rmm h TYR 33 CO 0.09 0.62 -0.79 -0.06 -0.00 0.00 0.00 178.16 178.02 2rmm s PHE 34 N -2.90 1.32 0.00 4.88 0.08 -0.27 -5.02 117.98 116.08 2rmm s PHE 34 Ca 0.02 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.33 2rmm s PHE 34 Cb 0.08 -1.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 2rmm s PHE 34 CO 0.77 -0.52 0.00 0.27 -0.10 0.00 0.00 175.22 175.64 2rmm n ASN 35 N 4.98 0.00 0.00 1.36 0.23 -1.26 -4.23 115.26 116.34 2rmm n ASN 35 Ca -0.11 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.96 2rmm n ASN 35 Cb 0.49 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.28 2rmm n ASN 35 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2rmm n ASP 36 N 0.00 0.00 -0.34 0.53 2.03 -1.26 -1.51 116.55 116.01 2rmm n ASP 36 Ca 0.00 0.28 0.15 0.00 0.52 0.00 0.00 54.79 55.74 2rmm n ASP 36 Cb 0.00 -0.33 0.34 0.00 -0.72 0.00 0.00 41.12 40.41 2rmm n ASP 36 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2rmm h ASN 37 N 0.00 0.63 0.00 1.67 7.08 -1.95 -3.44 115.58 119.57 2rmm h ASN 37 Ca 0.00 0.13 0.00 0.00 -3.08 0.00 0.00 56.30 53.35 2rmm h ASN 37 Cb 0.04 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.31 2rmm h ASN 37 CO 0.00 0.14 0.00 0.61 -2.08 0.00 0.00 177.43 176.10 2rmm n GLY 38 N -1.32 0.22 0.09 9.14 0.00 -1.22 -5.05 105.19 107.06 2rmm n GLY 38 Ca 0.24 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 1.55 -6.37 1.61 3.04 -1.82 -3.48 116.25 110.79 2rmm h VAL 39 Ca 0.00 -2.42 -0.47 0.00 -1.01 0.00 0.00 66.70 62.80 2rmm h VAL 39 Cb 0.00 3.18 -0.29 0.00 -2.01 0.00 0.00 31.29 32.17 2rmm h VAL 39 CO 0.00 0.64 -0.68 -0.67 -1.01 0.00 0.00 177.57 175.85 2rmm n ASP 40 N -4.34 -1.49 -4.61 3.17 2.03 -0.57 -4.66 116.55 106.08 2rmm n ASP 40 Ca -0.14 -0.87 -0.25 0.00 0.52 0.00 0.00 54.79 54.04 2rmm n ASP 40 Cb 0.67 -1.32 0.11 0.00 -0.72 0.00 0.00 41.12 39.86 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 -2.79 1.76 -0.18 0.27 0.00 -1.26 -4.96 107.32 100.16 2rmm s GLY 41 Ca 0.63 -1.45 -0.29 0.00 0.00 0.00 0.00 44.72 43.60 2rmm s GLY 41 CO 0.77 -0.89 1.15 1.85 0.00 0.00 0.00 173.10 175.99 2rmm s GLU 42 N -5.30 4.26 0.27 2.90 2.56 -0.39 -4.75 118.70 118.25 2rmm s GLU 42 Ca 0.66 1.52 -0.22 0.00 0.00 0.00 0.00 54.97 56.93 2rmm s GLU 42 Cb -0.06 -3.69 -0.09 0.00 2.00 0.00 0.00 34.13 32.29 2rmm s GLU 42 CO 0.46 -0.64 0.83 -1.58 -0.56 0.00 0.00 175.26 173.77 2rmm s TRP 43 N 3.23 3.66 0.04 5.30 0.52 -1.26 -2.26 118.94 128.16 2rmm s TRP 43 Ca 0.50 1.57 0.00 0.00 0.02 0.00 0.00 56.10 58.19 2rmm s TRP 43 Cb -0.19 -2.76 -0.03 0.00 -1.15 0.00 0.00 33.47 29.35 2rmm s TRP 43 CO 0.12 0.27 -0.04 0.99 0.02 0.00 0.00 176.95 178.30 2rmm s THR 44 N -1.59 0.28 -0.02 2.01 2.01 -0.41 -5.00 115.64 112.92 2rmm s THR 44 Ca 0.47 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 2rmm s THR 44 Cb -0.17 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.59 2rmm s THR 44 CO 0.22 -0.63 0.05 -0.47 -0.69 0.00 0.00 174.62 173.10 2rmm s TYR 45 N -2.22 -0.05 -0.20 4.92 5.04 -1.26 -0.82 117.35 122.77 2rmm s TYR 45 Ca -0.07 0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 54.68 2rmm s TYR 45 Cb -0.04 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.30 2rmm s TYR 45 CO -0.03 -0.03 -0.15 0.34 -1.34 0.00 0.00 175.55 174.34 2rmm s ASP 46 N -0.02 3.57 0.06 4.32 -1.08 0.20 -5.01 116.67 118.72 2rmm s ASP 46 Ca -0.00 -0.68 0.04 0.00 -0.52 0.00 0.00 52.55 51.39 2rmm s ASP 46 Cb -0.01 -1.55 -0.24 0.00 -1.46 0.00 0.00 42.92 39.66 2rmm s ASP 46 CO 0.00 -0.03 1.07 -0.78 0.52 0.00 0.00 175.17 175.95 2rmm h ASP 47 N 7.97 0.14 -0.10 -0.34 3.58 -1.96 -0.87 116.42 124.84 2rmm h ASP 47 Ca -0.42 -0.18 0.03 0.00 0.42 0.00 0.00 57.03 56.88 2rmm h ASP 47 Cb 1.13 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.13 2rmm h ASP 47 CO 0.61 1.14 0.14 0.00 -2.88 0.00 0.00 179.24 178.26 2rmm h ALA 48 N 0.84 1.57 0.00 -0.78 0.00 -1.97 -2.91 119.26 116.00 2rmm h ALA 48 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2rmm h ALA 48 Cb 1.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2rmm h ALA 48 CO 0.14 -0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.45 2rmm n THR 49 N -3.60 0.17 -3.81 0.00 -2.24 -1.23 -5.04 114.28 98.53 2rmm n THR 49 Ca -0.00 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 2rmm n THR 49 Cb 0.24 1.22 0.03 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.08 -5.49 -4.92 -0.78 4.76 -0.44 -4.86 118.16 106.35 2rmm n LYS 50 Ca 0.00 0.62 -0.27 0.00 -2.87 0.00 0.00 58.31 55.79 2rmm n LYS 50 Cb 0.18 -5.51 -0.16 0.00 -1.84 0.00 0.00 35.03 27.71 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 -3.26 1.53 0.02 -0.18 2.01 -0.59 -1.90 115.64 113.26 2rmm s THR 51 Ca 0.63 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.85 2rmm s THR 51 Cb -0.31 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2rmm s THR 51 CO 0.77 0.43 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.76 2rmm s PHE 52 N -0.23 3.00 0.06 4.92 0.08 0.58 -0.62 117.98 125.77 2rmm s PHE 52 Ca 0.02 0.02 0.06 0.00 0.12 0.00 0.00 56.93 57.15 2rmm s PHE 52 Cb -0.10 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 2rmm s PHE 52 CO 0.01 0.44 -0.17 0.99 -0.10 0.00 0.00 175.22 176.39 2rmm s THR 53 N -1.11 1.39 -0.07 0.64 2.01 0.00 -0.89 115.64 117.62 2rmm s THR 53 Ca 0.20 -1.20 0.02 0.00 0.31 0.00 0.00 61.69 61.01 2rmm s THR 53 Cb -0.11 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2rmm s THR 53 CO 0.11 0.02 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.27 2rmm s VAL 54 N -0.95 1.00 -0.17 3.82 1.01 0.25 -1.29 120.40 124.06 2rmm s VAL 54 Ca 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2rmm s VAL 54 Cb -0.09 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.40 2rmm s VAL 54 CO 0.02 0.33 0.03 -0.89 0.00 0.00 0.00 175.10 174.59 2rmm s THR 55 N 0.81 0.49 -0.71 3.92 2.01 -0.96 -0.50 115.64 120.71 2rmm s THR 55 Ca -0.12 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.44 2rmm s THR 55 Cb -0.15 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.41 2rmm s THR 55 CO 0.02 -0.13 0.18 1.21 -0.69 0.00 0.00 174.62 175.21