#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 4.21 -0.13 0.03 0.74 -1.26 -5.06 119.66 118.19 1mpe s GLN 2 Ca 0.00 0.55 -0.02 0.00 0.05 0.00 0.00 55.36 55.94 1mpe s GLN 2 Cb 0.00 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 1mpe s GLN 2 CO 0.00 -0.20 -0.06 0.71 -0.55 0.00 0.00 175.29 175.18 1mpe s TYR 3 N 1.80 2.96 -0.20 1.67 2.02 -1.26 -5.10 117.35 119.25 1mpe s TYR 3 Ca 0.27 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.62 1mpe s TYR 3 Cb -0.16 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1mpe s TYR 3 CO 0.10 0.02 0.03 0.15 -1.57 0.00 0.00 175.55 174.28 1mpe s LYS 4 N 0.08 3.75 -0.07 -0.62 -0.14 -1.26 -5.09 119.74 116.40 1mpe s LYS 4 Ca -0.02 -0.45 -0.03 0.00 -1.36 0.00 0.00 55.97 54.11 1mpe s LYS 4 Cb -0.14 -3.15 0.04 0.00 -1.68 0.00 0.00 37.83 32.90 1mpe s LYS 4 CO 0.03 0.09 0.13 0.08 -0.76 0.00 0.00 175.35 174.92 1mpe s VAL 5 N 0.82 -0.19 -0.31 3.17 1.01 -1.26 -5.13 120.40 118.51 1mpe s VAL 5 Ca 0.02 0.35 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1mpe s VAL 5 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1mpe s VAL 5 CO 0.02 0.15 0.43 -0.63 0.00 0.00 0.00 175.10 175.07 1mpe s ILE 6 N 2.08 5.11 -0.22 2.22 1.01 -1.26 -5.06 121.20 125.09 1mpe s ILE 6 Ca 0.02 0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 1mpe s ILE 6 Cb -0.12 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1mpe s ILE 6 CO -0.05 -0.03 0.06 -0.76 0.00 0.00 0.00 174.94 174.16 1mpe s LEU 7 N 2.18 3.59 0.24 2.97 1.02 -1.26 -4.89 118.68 122.54 1mpe s LEU 7 Ca 0.16 -0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.22 1mpe s LEU 7 Cb -0.16 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.12 1mpe s LEU 7 CO 0.11 0.06 0.00 0.59 0.02 0.00 0.00 176.35 177.13 1mpe n ASN 8 N 4.30 -1.69 0.00 2.29 3.02 -1.07 -4.62 115.26 117.49 1mpe n ASN 8 Ca -0.16 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1mpe n ASN 8 Cb 0.52 1.75 0.00 0.00 -0.61 0.00 0.00 39.78 41.44 1mpe n ASN 8 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mpe n GLY 9 N -0.47 3.28 3.77 7.41 0.00 -1.24 -4.10 105.19 113.84 1mpe n GLY 9 Ca 0.00 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1mpe n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mpe s LYS 10 N -2.00 3.93 0.74 1.61 2.20 -1.26 -4.93 119.74 120.02 1mpe s LYS 10 Ca 0.00 2.28 -0.08 0.00 -0.36 0.00 0.00 55.97 57.81 1mpe s LYS 10 Cb 0.00 -2.77 0.08 0.00 -1.51 0.00 0.00 37.83 33.62 1mpe s LYS 10 CO 0.00 -0.57 1.06 0.95 -0.36 0.00 0.00 175.35 176.43 1mpe s THR 11 N -1.22 2.21 -1.33 3.43 -4.23 -1.26 -4.30 115.64 108.93 1mpe s THR 11 Ca 0.57 -0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1mpe s THR 11 Cb -0.41 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.46 1mpe s THR 11 CO 0.53 0.00 0.75 -0.11 -0.54 0.00 0.00 174.62 175.25 1mpe n LEU 12 N -3.03 -2.85 -3.58 4.79 0.00 -1.26 -4.98 117.00 106.09 1mpe n LEU 12 Ca 0.09 -0.35 -0.10 0.00 0.00 0.00 0.00 56.01 55.65 1mpe n LEU 12 Cb 0.60 -2.75 -0.05 0.00 0.00 0.00 0.00 43.42 41.22 1mpe n LEU 12 CO 0.52 0.36 0.81 -1.59 0.00 0.00 0.00 177.39 177.49 1mpe s LYS 13 N -5.82 0.55 0.04 1.96 0.00 -1.26 -5.09 119.74 110.11 1mpe s LYS 13 Ca 0.37 0.13 0.00 0.00 0.00 0.00 0.00 55.97 56.47 1mpe s LYS 13 Cb -0.16 0.26 0.00 0.00 0.00 0.00 0.00 37.83 37.92 1mpe s LYS 13 CO 0.46 -0.17 0.00 0.41 0.00 0.00 0.00 175.35 176.05 1mpe n GLY 14 N 0.70 -0.03 1.56 0.59 0.00 -1.26 -4.96 105.19 101.78 1mpe n GLY 14 Ca -0.09 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.97 -2.88 -2.86 1.61 1.02 -1.26 -4.22 120.64 109.08 1mpe n GLU 15 Ca 0.00 1.90 -0.44 0.00 -0.02 0.00 0.00 57.16 58.60 1mpe n GLU 15 Cb 0.25 -3.51 0.00 0.00 -0.02 0.00 0.00 31.44 28.15 1mpe n GLU 15 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1mpe n THR 16 N -4.23 4.25 -3.08 2.62 -1.04 -1.26 -4.96 114.28 106.58 1mpe n THR 16 Ca 0.01 -4.66 0.05 0.00 -2.04 0.00 0.00 64.05 57.41 1mpe n THR 16 Cb 0.65 -2.45 -0.01 0.00 -1.82 0.00 0.00 70.33 66.70 1mpe n THR 16 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1mpe n THR 17 N 4.55 0.00 -3.07 12.58 -2.24 -1.26 -4.96 114.28 119.88 1mpe n THR 17 Ca 0.38 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.98 1mpe n THR 17 Cb 0.42 -0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.54 1mpe n THR 17 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mpe n THR 18 N -2.20 -8.77 -1.17 4.28 -2.24 -1.26 -4.97 114.28 97.95 1mpe n THR 18 Ca 0.00 0.62 -0.29 0.00 -2.27 0.00 0.00 64.05 62.11 1mpe n THR 18 Cb 0.17 -6.08 0.17 0.00 -2.10 0.00 0.00 70.33 62.49 1mpe n THR 18 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mpe s GLU 19 N -2.58 0.61 0.01 -0.78 8.01 -1.26 -4.99 118.70 117.73 1mpe s GLU 19 Ca 0.29 0.59 -0.18 0.00 0.01 0.00 0.00 54.97 55.68 1mpe s GLU 19 Cb -0.06 -1.75 -0.28 0.00 -4.31 0.00 0.00 34.13 27.73 1mpe s GLU 19 CO 0.81 -2.63 1.05 0.00 0.01 0.00 0.00 175.26 174.50 1mpe h ALA 20 N -1.82 0.00 -2.38 5.21 0.00 -1.93 -3.40 119.26 114.94 1mpe h ALA 20 Ca -0.53 -0.68 -0.74 0.00 0.00 0.00 0.00 54.91 52.95 1mpe h ALA 20 Cb 1.32 0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.97 1mpe h ALA 20 CO 0.57 0.49 0.33 0.08 0.00 0.00 0.00 179.25 180.71 1mpe s VAL 21 N -2.92 5.21 -0.13 0.00 1.01 -1.26 -5.01 120.40 117.30 1mpe s VAL 21 Ca -0.12 -1.95 -0.06 0.00 0.00 0.00 0.00 61.98 59.85 1mpe s VAL 21 Cb 0.04 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1mpe s VAL 21 CO 0.87 -1.19 0.10 -0.62 0.00 0.00 0.00 175.10 174.25 1mpe s ASP 22 N 2.89 6.03 0.31 3.32 -1.08 -1.26 -2.61 116.67 124.27 1mpe s ASP 22 Ca 0.21 0.33 0.07 0.00 -0.52 0.00 0.00 52.55 52.64 1mpe s ASP 22 Cb -0.11 -1.93 0.83 0.00 -1.46 0.00 0.00 42.92 40.26 1mpe s ASP 22 CO -0.07 0.35 1.69 0.00 0.52 0.00 0.00 175.17 177.67 1mpe h ALA 23 N 5.37 1.60 0.00 3.66 0.00 -1.91 0.75 119.26 128.74 1mpe h ALA 23 Ca -0.51 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1mpe h ALA 23 Cb 1.21 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1mpe h ALA 23 CO 0.60 -0.39 -0.29 0.00 0.00 0.00 0.00 179.25 179.17 1mpe h ALA 24 N 1.75 1.27 -0.76 0.00 0.00 -1.98 -2.80 119.26 116.74 1mpe h ALA 24 Ca 0.61 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1mpe h ALA 24 Cb 1.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1mpe h ALA 24 CO -0.55 0.36 0.42 1.15 0.00 0.00 0.00 179.25 180.64 1mpe h THR 25 N 0.00 1.22 -0.02 0.00 2.02 0.14 -1.48 112.91 114.79 1mpe h THR 25 Ca -0.00 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1mpe h THR 25 Cb 0.61 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1mpe h THR 25 CO 0.04 0.24 -0.02 0.15 0.37 0.00 0.00 175.52 176.31 1mpe h PHE 26 N 1.06 0.05 -0.18 3.16 3.57 -1.35 -2.13 116.94 121.11 1mpe h PHE 26 Ca 0.27 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.81 1mpe h PHE 26 Cb 0.01 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1mpe h PHE 26 CO 0.01 0.51 -0.18 0.93 -2.23 0.00 0.00 178.31 177.34 1mpe h GLU 27 N -0.42 -0.20 -0.06 1.11 5.08 -1.39 0.28 114.58 118.99 1mpe h GLU 27 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1mpe h GLU 27 Cb 0.50 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1mpe h GLU 27 CO 0.00 -0.13 0.00 -0.22 -1.00 0.00 0.00 179.01 177.67 1mpe h LYS 28 N -0.20 0.10 -0.76 2.33 3.64 -1.35 -0.90 116.57 119.43 1mpe h LYS 28 Ca 0.12 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1mpe h LYS 28 Cb 0.37 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1mpe h LYS 28 CO -0.30 0.38 0.35 0.28 -2.27 0.00 0.00 179.45 177.89 1mpe h VAL 29 N -0.18 1.25 -0.16 2.00 2.07 -1.24 -0.54 116.25 119.45 1mpe h VAL 29 Ca 0.02 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1mpe h VAL 29 Cb 0.33 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1mpe h VAL 29 CO 0.00 0.30 -0.19 0.58 0.02 0.00 0.00 177.57 178.28 1mpe h VAL 30 N 1.07 1.35 -0.35 2.57 2.07 -0.44 -0.37 116.25 122.16 1mpe h VAL 30 Ca 0.26 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1mpe h VAL 30 Cb 0.14 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1mpe h VAL 30 CO -0.03 0.41 0.13 0.50 0.02 0.00 0.00 177.57 178.60 1mpe h LYS 31 N 0.04 0.52 -0.26 1.57 3.64 -1.10 0.33 116.57 121.31 1mpe h LYS 31 Ca 0.02 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1mpe h LYS 31 Cb 0.75 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1mpe h LYS 31 CO 0.05 0.53 0.11 0.37 -2.27 0.00 0.00 179.45 178.23 1mpe h GLN 32 N 0.41 0.39 -0.19 1.90 4.15 -1.13 0.53 115.11 121.17 1mpe h GLN 32 Ca 0.11 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 1mpe h GLN 32 Cb 0.21 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1mpe h GLN 32 CO -0.01 0.41 -0.04 0.35 -1.93 0.00 0.00 178.83 177.61 1mpe h PHE 33 N 0.28 0.42 -0.02 3.99 3.57 -0.94 -3.21 116.94 121.02 1mpe h PHE 33 Ca 0.09 -0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 1mpe h PHE 33 Cb 0.16 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1mpe h PHE 33 CO -0.01 0.62 -0.78 0.74 -2.23 0.00 0.00 178.31 176.65 1mpe h PHE 34 N 0.09 0.32 -0.48 0.41 -1.00 -0.32 -3.13 116.94 112.83 1mpe h PHE 34 Ca 0.05 -0.16 0.12 0.00 2.81 0.00 0.00 57.97 60.79 1mpe h PHE 34 Cb 0.49 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 1mpe h PHE 34 CO 0.05 0.92 0.34 -0.91 -1.61 0.00 0.00 178.31 177.10 1mpe h ASN 35 N 0.14 0.10 0.18 2.17 -0.26 0.04 0.12 115.58 118.08 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 1.37 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.61 1mpe h ASN 35 CO 0.12 0.06 0.00 0.44 -1.06 0.00 0.00 177.43 176.99 1mpe h ASP 36 N 0.11 0.00 0.00 5.81 3.32 -1.54 -2.48 116.42 121.64 1mpe h ASP 36 Ca 0.23 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1mpe h ASP 36 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1mpe h ASP 36 CO -0.02 0.00 -1.76 -0.46 -1.72 0.00 0.00 179.24 175.28 1mpe n ASN 37 N -2.83 1.40 0.00 6.45 0.23 0.38 -5.00 115.26 115.89 1mpe n ASN 37 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 1mpe n ASN 37 Cb 0.10 1.61 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 1.67 0.58 3.83 4.83 0.00 -0.93 -5.14 105.19 110.03 1mpe n GLY 38 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.96 4.81 0.29 1.61 1.01 -1.07 -4.99 120.40 121.11 1mpe s VAL 39 Ca 0.00 0.98 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 1mpe s VAL 39 Cb 0.00 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1mpe s VAL 39 CO 0.00 0.35 0.51 0.47 0.00 0.00 0.00 175.10 176.43 1mpe n ASP 40 N 1.12 -1.47 0.00 3.32 8.00 -1.26 -3.98 116.55 122.28 1mpe n ASP 40 Ca -0.07 -2.34 0.00 0.00 0.71 0.00 0.00 54.79 53.09 1mpe n ASP 40 Cb 0.51 2.54 0.00 0.00 -0.02 0.00 0.00 41.12 44.15 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 -0.43 0.18 3.24 0.44 0.00 -1.26 -5.07 105.19 102.29 1mpe n GLY 41 Ca -0.04 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 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 0.82 -0.19 1.61 2.02 -1.26 -5.12 118.70 116.58 1mpe s GLU 42 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.06 1mpe s GLU 42 Cb 0.00 0.35 -0.02 0.00 0.10 0.00 0.00 34.13 34.56 1mpe s GLU 42 CO 0.00 -0.27 1.42 -1.58 0.02 0.00 0.00 175.26 174.85 1mpe s TRP 43 N -2.95 2.50 -0.07 1.61 0.52 -1.26 -5.01 118.94 114.28 1mpe s TRP 43 Ca -0.02 0.73 0.01 0.00 0.02 0.00 0.00 56.10 56.84 1mpe s TRP 43 Cb 0.01 -3.77 -0.03 0.00 -1.15 0.00 0.00 33.47 28.53 1mpe s TRP 43 CO -0.06 -2.34 -0.07 0.95 0.02 0.00 0.00 176.95 175.45 1mpe s THR 44 N 4.16 3.71 0.37 2.01 -4.23 -1.26 -5.10 115.64 115.31 1mpe s THR 44 Ca 0.62 -0.47 -0.26 0.00 -1.18 0.00 0.00 61.69 60.39 1mpe s THR 44 Cb -0.23 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 71.00 1mpe s THR 44 CO 0.22 0.60 1.19 -0.31 -0.54 0.00 0.00 174.62 175.77 1mpe s TYR 45 N -0.77 3.13 0.70 3.99 2.02 -1.26 -5.01 117.35 120.15 1mpe s TYR 45 Ca 0.12 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.24 1mpe s TYR 45 Cb -0.11 -3.44 0.02 0.00 -0.40 0.00 0.00 41.96 38.03 1mpe s TYR 45 CO 0.01 -1.32 1.08 -0.51 -1.57 0.00 0.00 175.55 173.24 1mpe s ASP 46 N -0.97 5.03 0.16 2.29 1.11 -1.26 -4.96 116.67 118.06 1mpe s ASP 46 Ca 0.54 1.80 -0.31 0.00 0.18 0.00 0.00 52.55 54.76 1mpe s ASP 46 Cb -0.33 -2.52 -0.10 0.00 1.07 0.00 0.00 42.92 41.05 1mpe s ASP 46 CO 0.42 -1.68 1.52 -0.62 1.18 0.00 0.00 175.17 175.98 1mpe s ASP 47 N -3.25 6.65 0.40 0.27 2.15 -1.26 -4.93 116.67 116.69 1mpe s ASP 47 Ca 0.62 2.55 -0.26 0.00 0.43 0.00 0.00 52.55 55.89 1mpe s ASP 47 Cb -0.17 -2.59 -0.11 0.00 -0.30 0.00 0.00 42.92 39.75 1mpe s ASP 47 CO 0.50 -0.77 1.18 0.00 -0.17 0.00 0.00 175.17 175.90 1mpe n ALA 48 N 3.87 0.84 -2.41 3.66 0.00 -1.26 -5.02 120.51 120.19 1mpe n ALA 48 Ca 0.13 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 1mpe n ALA 48 Cb 0.40 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.19 0.23 -0.10 0.00 2.01 -1.26 -5.16 115.64 110.16 1mpe s THR 49 Ca 0.60 -1.50 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1mpe s THR 49 Cb -0.55 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1mpe s THR 49 CO 0.59 -0.81 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.05 1mpe s LYS 50 N -3.03 1.85 -0.13 4.92 1.02 -1.26 -5.13 119.74 117.98 1mpe s LYS 50 Ca -0.01 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 55.53 1mpe s LYS 50 Cb 0.01 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1mpe s LYS 50 CO -0.06 -0.13 0.00 0.99 -0.92 0.00 0.00 175.35 175.23 1mpe s THR 51 N 1.22 4.30 -0.28 2.17 2.01 -1.26 -5.08 115.64 118.73 1mpe s THR 51 Ca -0.03 -0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.46 1mpe s THR 51 Cb -0.14 -2.87 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1mpe s THR 51 CO -0.04 0.53 1.02 0.12 -0.69 0.00 0.00 174.62 175.56 1mpe s PHE 52 N -0.15 3.24 -0.24 4.92 5.36 -1.26 -5.02 117.98 124.83 1mpe s PHE 52 Ca 0.05 1.26 -0.18 0.00 -0.96 0.00 0.00 56.93 57.09 1mpe s PHE 52 Cb -0.13 -3.45 -0.03 0.00 -0.34 0.00 0.00 43.02 39.08 1mpe s PHE 52 CO 0.02 -0.62 0.53 0.99 -1.46 0.00 0.00 175.22 174.69 1mpe s THR 53 N 3.36 5.07 0.68 0.12 2.01 -1.26 -5.06 115.64 120.57 1mpe s THR 53 Ca 0.43 0.94 -0.14 0.00 0.31 0.00 0.00 61.69 63.23 1mpe s THR 53 Cb -0.14 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.54 1mpe s THR 53 CO 0.11 0.11 1.09 -0.69 -0.69 0.00 0.00 174.62 174.55 1mpe s VAL 54 N 2.12 3.43 0.00 3.82 1.01 -1.26 -4.97 120.40 124.56 1mpe s VAL 54 Ca 0.23 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1mpe s VAL 54 Cb -0.16 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1mpe s VAL 54 CO 0.09 -0.48 0.00 0.41 0.00 0.00 0.00 175.10 175.12 1mpe n THR 55 N -2.71 0.00 1.18 3.92 -1.04 -1.26 -5.34 114.28 109.04 1mpe n THR 55 Ca 0.09 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.23 1mpe n THR 55 Cb 0.53 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 69.29 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81