#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mpe s GLN 2 N 0.00 4.24 -0.18 0.03 0.74 -1.26 -5.06 119.66 118.17 1mpe s GLN 2 Ca 0.00 0.52 -0.05 0.00 0.05 0.00 0.00 55.36 55.89 1mpe s GLN 2 Cb 0.00 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1mpe s GLN 2 CO 0.00 -0.12 -0.01 0.71 -0.55 0.00 0.00 175.29 175.32 1mpe s TYR 3 N 1.52 3.05 -0.21 1.67 2.02 -1.26 -5.09 117.35 119.05 1mpe s TYR 3 Ca 0.27 -0.35 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 1mpe s TYR 3 Cb -0.16 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1mpe s TYR 3 CO 0.11 -0.13 0.03 0.15 -1.57 0.00 0.00 175.55 174.14 1mpe s LYS 4 N 0.71 3.71 -0.06 -0.62 1.02 -1.26 -5.09 119.74 118.15 1mpe s LYS 4 Ca -0.00 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1mpe s LYS 4 Cb -0.14 -3.17 0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1mpe s LYS 4 CO 0.02 0.03 0.11 0.08 -0.92 0.00 0.00 175.35 174.67 1mpe s VAL 5 N 1.00 -0.13 -0.31 3.17 1.01 -1.26 -5.13 120.40 118.75 1mpe s VAL 5 Ca 0.03 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 1mpe s VAL 5 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1mpe s VAL 5 CO 0.02 0.12 0.45 -0.63 0.00 0.00 0.00 175.10 175.06 1mpe s ILE 6 N 1.69 5.10 -0.21 2.22 1.01 -1.26 -5.06 121.20 124.69 1mpe s ILE 6 Ca -0.03 0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 1mpe s ILE 6 Cb -0.12 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1mpe s ILE 6 CO -0.05 -0.04 0.05 -0.76 0.00 0.00 0.00 174.94 174.14 1mpe s LEU 7 N 2.22 3.54 -0.26 2.97 1.02 -1.26 -5.07 118.68 121.84 1mpe s LEU 7 Ca 0.17 -0.10 -0.02 0.00 0.02 0.00 0.00 54.13 54.20 1mpe s LEU 7 Cb -0.16 -1.92 0.15 0.00 0.02 0.00 0.00 46.19 44.28 1mpe s LEU 7 CO 0.11 0.07 0.42 0.21 0.02 0.00 0.00 176.35 177.19 1mpe s ASN 8 N 0.99 -0.05 -0.52 2.29 3.84 -1.10 -4.71 114.94 115.69 1mpe s ASN 8 Ca 0.03 0.26 -0.14 0.00 0.21 0.00 0.00 52.86 53.22 1mpe s ASN 8 Cb -0.14 1.31 0.12 0.00 -0.55 0.00 0.00 41.25 41.99 1mpe s ASN 8 CO 0.03 -0.30 0.45 -0.83 -2.79 0.00 0.00 177.10 173.66 1mpe s GLY 9 N 2.60 2.07 -0.41 1.21 0.00 -0.37 -4.81 107.32 107.61 1mpe s GLY 9 Ca 0.14 -2.50 0.06 0.00 0.00 0.00 0.00 44.72 42.42 1mpe s GLY 9 CO -0.19 1.16 0.53 1.25 0.00 0.00 0.00 173.10 175.86 1mpe s LYS 10 N 1.55 0.81 -0.18 2.90 2.20 -1.26 -5.00 119.74 120.75 1mpe s LYS 10 Ca 0.04 -0.77 -0.04 0.00 -0.36 0.00 0.00 55.97 54.84 1mpe s LYS 10 Cb -0.29 -0.35 0.09 0.00 -1.51 0.00 0.00 37.83 35.77 1mpe s LYS 10 CO 0.02 -1.23 0.25 0.95 -0.36 0.00 0.00 175.35 174.98 1mpe s THR 11 N 1.38 -0.38 0.44 3.43 -4.23 -1.26 -5.15 115.64 109.87 1mpe s THR 11 Ca 0.20 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1mpe s THR 11 Cb -0.07 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 1mpe s THR 11 CO -0.06 -0.09 0.73 -0.76 -0.54 0.00 0.00 174.62 173.90 1mpe s LEU 12 N 2.37 3.73 -0.16 4.79 2.01 -1.26 -4.64 118.68 125.53 1mpe s LEU 12 Ca 0.06 0.86 0.06 0.00 0.01 0.00 0.00 54.13 55.12 1mpe s LEU 12 Cb -0.14 -3.79 0.19 0.00 0.01 0.00 0.00 46.19 42.46 1mpe s LEU 12 CO -0.11 -0.49 1.24 1.17 1.01 0.00 0.00 176.35 179.17 1mpe n LYS 13 N -2.01 0.64 -1.86 1.70 4.81 -1.26 -5.11 118.16 115.07 1mpe n LYS 13 Ca -0.00 -1.07 0.00 0.00 -0.87 0.00 0.00 58.31 56.36 1mpe n LYS 13 Cb 0.55 0.46 0.00 0.00 0.02 0.00 0.00 35.03 36.06 1mpe n LYS 13 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mpe n GLY 14 N -0.73 -5.13 1.61 3.14 0.00 -1.26 -4.97 105.19 97.86 1mpe n GLY 14 Ca -0.23 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1mpe n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mpe n GLU 15 N 1.53 -4.55 -0.02 1.61 -0.58 -1.26 -4.93 120.64 112.44 1mpe n GLU 15 Ca 0.00 3.32 0.00 0.00 -0.42 0.00 0.00 57.16 60.06 1mpe n GLU 15 Cb 0.00 -3.68 -0.00 0.00 -0.57 0.00 0.00 31.44 27.19 1mpe n GLU 15 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1mpe n THR 16 N -0.04 0.00 -3.46 2.62 5.66 -1.26 -4.97 114.28 112.82 1mpe n THR 16 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1mpe n THR 16 Cb 0.00 -0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 68.74 1mpe n THR 16 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1mpe s THR 17 N -0.07 0.01 -0.52 1.09 -4.23 -1.26 -4.61 115.64 106.04 1mpe s THR 17 Ca 0.00 -0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1mpe s THR 17 Cb 0.00 -1.01 0.14 0.00 1.34 0.00 0.00 72.50 72.97 1mpe s THR 17 CO 0.00 -0.04 0.31 0.42 -0.54 0.00 0.00 174.62 174.77 1mpe s THR 18 N -3.34 2.03 0.12 3.99 -4.23 -1.26 -5.10 115.64 107.86 1mpe s THR 18 Ca -0.01 -3.18 -0.30 0.00 -1.18 0.00 0.00 61.69 57.02 1mpe s THR 18 Cb -0.01 -2.39 -0.06 0.00 1.34 0.00 0.00 72.50 71.38 1mpe s THR 18 CO -0.09 -0.91 1.08 -1.61 -0.54 0.00 0.00 174.62 172.54 1mpe s GLU 19 N -0.26 4.58 0.14 3.99 2.02 -1.26 -4.91 118.70 122.99 1mpe s GLU 19 Ca 0.20 1.64 0.00 0.00 0.02 0.00 0.00 54.97 56.83 1mpe s GLU 19 Cb -0.19 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.71 1mpe s GLU 19 CO -0.05 0.03 0.00 0.00 0.02 0.00 0.00 175.26 175.26 1mpe n ALA 20 N 2.90 3.00 -1.76 5.21 0.00 -1.26 -4.92 120.51 123.68 1mpe n ALA 20 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1mpe n ALA 20 Cb 0.47 0.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 1mpe n ALA 20 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1mpe n VAL 21 N -3.15 3.42 -4.01 0.00 3.14 -1.26 -4.83 118.33 111.64 1mpe n VAL 21 Ca 0.00 -3.03 -0.33 0.00 -2.96 0.00 0.00 64.34 58.02 1mpe n VAL 21 Cb 0.00 -2.58 -0.06 0.00 -1.06 0.00 0.00 33.84 30.14 1mpe n VAL 21 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1mpe s ASP 22 N 3.32 6.00 0.25 6.55 -1.08 -1.26 -1.24 116.67 129.22 1mpe s ASP 22 Ca 0.48 0.25 -0.02 0.00 -0.52 0.00 0.00 52.55 52.73 1mpe s ASP 22 Cb 0.13 -1.81 0.49 0.00 -1.46 0.00 0.00 42.92 40.28 1mpe s ASP 22 CO -0.07 0.28 1.75 0.00 0.52 0.00 0.00 175.17 177.65 1mpe h ALA 23 N 4.03 1.18 -0.19 3.66 0.00 -1.91 0.67 119.26 126.70 1mpe h ALA 23 Ca -0.49 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1mpe h ALA 23 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1mpe h ALA 23 CO 0.65 -0.12 -0.27 0.00 0.00 0.00 0.00 179.25 179.51 1mpe h ALA 24 N 1.54 1.20 -0.78 0.00 0.00 -1.97 -2.71 119.26 116.54 1mpe h ALA 24 Ca 0.44 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1mpe h ALA 24 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1mpe h ALA 24 CO -0.37 0.52 0.32 1.15 0.00 0.00 0.00 179.25 180.87 1mpe h THR 25 N 0.31 1.26 0.23 0.00 2.02 -1.21 -1.75 112.91 113.77 1mpe h THR 25 Ca 0.05 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1mpe h THR 25 Cb 0.64 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1mpe h THR 25 CO 0.05 0.33 -0.11 0.15 0.37 0.00 0.00 175.52 176.30 1mpe h PHE 26 N 1.13 -0.29 -0.37 3.16 3.57 -1.11 -1.04 116.94 121.99 1mpe h PHE 26 Ca 0.26 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.82 1mpe h PHE 26 Cb 0.20 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 1mpe h PHE 26 CO 0.02 -0.01 -0.02 0.93 -2.23 0.00 0.00 178.31 176.99 1mpe h GLU 27 N -0.55 0.07 -0.08 1.11 5.08 -1.36 0.25 114.58 119.10 1mpe h GLU 27 Ca -0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1mpe h GLU 27 Cb 0.41 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1mpe h GLU 27 CO 0.05 0.05 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.88 1mpe h LYS 28 N 0.07 0.14 -0.61 2.33 3.64 -1.33 -0.75 116.57 120.06 1mpe h LYS 28 Ca 0.18 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1mpe h LYS 28 Cb 0.26 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1mpe h LYS 28 CO -0.32 0.44 0.21 0.28 -2.27 0.00 0.00 179.45 177.79 1mpe h VAL 29 N -0.17 1.24 -0.19 2.00 2.07 -0.99 -1.17 116.25 119.04 1mpe h VAL 29 Ca 0.02 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1mpe h VAL 29 Cb 0.38 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1mpe h VAL 29 CO 0.01 0.30 -0.19 0.58 0.02 0.00 0.00 177.57 178.29 1mpe h VAL 30 N 0.85 1.33 -0.34 2.57 2.07 -0.52 -0.80 116.25 121.41 1mpe h VAL 30 Ca 0.20 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1mpe h VAL 30 Cb 0.25 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1mpe h VAL 30 CO -0.01 0.41 0.10 0.50 0.02 0.00 0.00 177.57 178.59 1mpe h LYS 31 N 0.13 0.54 -0.60 1.57 3.64 -1.11 0.41 116.57 121.14 1mpe h LYS 31 Ca 0.03 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1mpe h LYS 31 Cb 0.73 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1mpe h LYS 31 CO 0.05 0.57 0.12 0.37 -2.27 0.00 0.00 179.45 178.29 1mpe h GLN 32 N 0.40 0.98 -0.08 1.90 5.75 -1.25 0.21 115.11 123.03 1mpe h GLN 32 Ca 0.11 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 1mpe h GLN 32 Cb 0.26 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1mpe h GLN 32 CO -0.00 0.92 -0.04 0.35 -2.65 0.00 0.00 178.83 177.41 1mpe h PHE 33 N 0.89 0.19 0.02 3.99 3.57 -1.00 -3.28 116.94 121.30 1mpe h PHE 33 Ca 0.19 -0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.43 1mpe h PHE 33 Cb 0.40 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1mpe h PHE 33 CO 0.03 0.53 -0.95 0.74 -2.23 0.00 0.00 178.31 176.43 1mpe h PHE 34 N -0.21 0.13 -0.54 0.41 0.04 -0.93 -3.23 116.94 112.61 1mpe h PHE 34 Ca 0.02 -0.08 0.16 0.00 2.80 0.00 0.00 57.97 60.86 1mpe h PHE 34 Cb 0.48 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1mpe h PHE 34 CO 0.07 0.98 0.41 -0.91 -0.60 0.00 0.00 178.31 178.25 1mpe h ASN 35 N 0.03 0.00 0.11 2.17 -0.26 -0.65 0.18 115.58 117.16 1mpe h ASN 35 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1mpe h ASN 35 Cb 1.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.90 1mpe h ASN 35 CO 0.13 0.00 0.00 0.44 -1.06 0.00 0.00 177.43 176.94 1mpe h ASP 36 N 0.00 0.00 0.00 5.81 3.32 -1.62 -1.97 116.42 121.97 1mpe h ASP 36 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1mpe h ASP 36 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1mpe h ASP 36 CO -0.00 0.00 -1.59 -0.46 -1.72 0.00 0.00 179.24 175.47 1mpe n ASN 37 N -2.63 0.93 0.00 6.45 0.23 0.63 -4.98 115.26 115.89 1mpe n ASN 37 Ca -0.02 -0.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 1mpe n ASN 37 Cb 0.08 1.63 0.00 0.00 -2.08 0.00 0.00 39.78 39.41 1mpe n ASN 37 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mpe n GLY 38 N 1.48 0.93 3.83 4.83 0.00 -0.74 -5.14 105.19 110.38 1mpe n GLY 38 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1mpe n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mpe s VAL 39 N -1.19 4.77 0.37 1.61 1.01 -1.21 -5.00 120.40 120.75 1mpe s VAL 39 Ca 0.00 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.94 1mpe s VAL 39 Cb 0.00 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1mpe s VAL 39 CO 0.00 0.35 0.64 0.47 0.00 0.00 0.00 175.10 176.56 1mpe n ASP 40 N 1.12 -1.82 0.00 3.32 8.00 -1.26 -4.23 116.55 121.68 1mpe n ASP 40 Ca -0.07 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.69 1mpe n ASP 40 Cb 0.51 3.17 0.00 0.00 -0.02 0.00 0.00 41.12 44.79 1mpe n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mpe n GLY 41 N -0.56 0.14 3.25 0.44 0.00 -1.26 -5.07 105.19 102.13 1mpe n GLY 41 Ca -0.04 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1mpe n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mpe s GLU 42 N 0.00 0.87 -0.12 1.61 2.02 -1.26 -5.13 118.70 116.68 1mpe s GLU 42 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 1mpe s GLU 42 Cb 0.00 0.37 -0.03 0.00 0.10 0.00 0.00 34.13 34.57 1mpe s GLU 42 CO 0.00 -0.29 1.37 -1.58 0.02 0.00 0.00 175.26 174.78 1mpe s TRP 43 N -3.13 2.64 -0.05 1.61 0.52 -1.26 -5.01 118.94 114.26 1mpe s TRP 43 Ca -0.01 0.80 0.04 0.00 0.02 0.00 0.00 56.10 56.95 1mpe s TRP 43 Cb 0.01 -3.61 -0.02 0.00 -1.15 0.00 0.00 33.47 28.69 1mpe s TRP 43 CO -0.07 -2.27 -0.15 0.95 0.02 0.00 0.00 176.95 175.43 1mpe s THR 44 N 3.52 2.98 0.40 2.01 -4.23 -1.26 -5.11 115.64 113.95 1mpe s THR 44 Ca 0.60 -0.75 -0.25 0.00 -1.18 0.00 0.00 61.69 60.11 1mpe s THR 44 Cb -0.25 -2.16 -0.08 0.00 1.34 0.00 0.00 72.50 71.34 1mpe s THR 44 CO 0.19 0.59 1.15 -0.31 -0.54 0.00 0.00 174.62 175.70 1mpe s TYR 45 N -0.63 3.09 0.68 3.99 2.02 -1.26 -5.01 117.35 120.23 1mpe s TYR 45 Ca 0.09 1.57 -0.13 0.00 -0.37 0.00 0.00 57.07 58.23 1mpe s TYR 45 Cb -0.11 -3.35 0.01 0.00 -0.40 0.00 0.00 41.96 38.11 1mpe s TYR 45 CO 0.01 -1.22 1.09 -0.51 -1.57 0.00 0.00 175.55 173.34 1mpe s ASP 46 N -1.21 5.13 0.26 2.29 1.01 -1.26 -4.97 116.67 117.91 1mpe s ASP 46 Ca 0.57 1.86 -0.30 0.00 0.71 0.00 0.00 52.55 55.40 1mpe s ASP 46 Cb -0.29 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.01 1mpe s ASP 46 CO 0.37 -1.61 1.36 1.51 0.21 0.00 0.00 175.17 177.00 1mpe s ASP 47 N -3.02 6.76 0.37 0.27 1.47 -1.26 -4.94 116.67 116.32 1mpe s ASP 47 Ca 0.63 2.59 -0.27 0.00 1.18 0.00 0.00 52.55 56.69 1mpe s ASP 47 Cb -0.18 -2.63 -0.11 0.00 -0.34 0.00 0.00 42.92 39.66 1mpe s ASP 47 CO 0.46 -0.60 1.29 0.00 0.68 0.00 0.00 175.17 177.01 1mpe n ALA 48 N 1.97 1.34 -2.41 2.11 0.00 -1.26 -5.02 120.51 117.24 1mpe n ALA 48 Ca 0.05 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 1mpe n ALA 48 Cb 0.41 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 17.49 1mpe n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mpe s THR 49 N -1.13 0.57 0.09 0.00 2.01 -1.26 -5.17 115.64 110.76 1mpe s THR 49 Ca 0.57 -1.61 0.09 0.00 0.31 0.00 0.00 61.69 61.05 1mpe s THR 49 Cb -0.54 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1mpe s THR 49 CO 0.61 -0.72 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.07 1mpe s LYS 50 N -3.04 1.75 -0.05 4.92 1.02 -1.26 -5.13 119.74 117.95 1mpe s LYS 50 Ca 0.03 -1.17 -0.02 0.00 0.02 0.00 0.00 55.97 54.83 1mpe s LYS 50 Cb 0.00 -2.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1mpe s LYS 50 CO -0.04 0.49 0.10 0.99 -0.92 0.00 0.00 175.35 175.97 1mpe s THR 51 N -1.02 -0.05 -0.28 2.17 2.01 -1.26 -5.13 115.64 112.08 1mpe s THR 51 Ca 0.15 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.05 1mpe s THR 51 Cb -0.10 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.25 1mpe s THR 51 CO 0.07 0.07 0.99 0.12 -0.69 0.00 0.00 174.62 175.18 1mpe s PHE 52 N 1.01 3.23 -0.20 4.92 5.36 -1.26 -5.02 117.98 126.02 1mpe s PHE 52 Ca -0.08 1.21 -0.18 0.00 -0.96 0.00 0.00 56.93 56.92 1mpe s PHE 52 Cb -0.11 -3.42 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 1mpe s PHE 52 CO -0.04 -0.61 0.48 0.99 -1.46 0.00 0.00 175.22 174.58 1mpe s THR 53 N 3.32 5.13 0.65 0.12 2.01 -1.26 -5.06 115.64 120.56 1mpe s THR 53 Ca 0.42 0.87 -0.15 0.00 0.31 0.00 0.00 61.69 63.14 1mpe s THR 53 Cb -0.14 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.56 1mpe s THR 53 CO 0.11 0.20 1.10 -0.69 -0.69 0.00 0.00 174.62 174.65 1mpe s VAL 54 N 1.55 3.40 0.06 3.82 1.01 -1.26 -4.96 120.40 124.02 1mpe s VAL 54 Ca 0.22 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1mpe s VAL 54 Cb -0.15 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1mpe s VAL 54 CO 0.09 -0.42 0.00 0.41 0.00 0.00 0.00 175.10 175.18 1mpe n THR 55 N -2.42 0.00 -0.51 3.92 -1.04 -1.26 -5.34 114.28 107.63 1mpe n THR 55 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1mpe n THR 55 Cb 0.52 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81