#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 4.25 -0.14 2.12 0.74 -1.26 -5.05 119.66 120.32 1mpe s GLN 2 Ca 0.00 0.84 -0.02 0.00 0.05 0.00 0.00 55.36 56.22 1mpe s GLN 2 Cb 0.00 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 1mpe s GLN 2 CO 0.00 -0.30 -0.07 0.71 -0.55 0.00 0.00 175.29 175.08 1mpe s TYR 3 N 2.10 2.95 -0.20 1.67 2.02 -1.26 -5.10 117.35 119.53 1mpe s TYR 3 Ca 0.34 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.59 1mpe s TYR 3 Cb -0.16 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1mpe s TYR 3 CO 0.11 -0.07 0.03 0.15 -1.57 0.00 0.00 175.55 174.20 1mpe s LYS 4 N 0.30 3.75 -0.05 -0.62 1.02 -1.26 -5.09 119.74 117.79 1mpe s LYS 4 Ca -0.06 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 55.46 1mpe s LYS 4 Cb -0.15 -3.16 0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1mpe s LYS 4 CO 0.04 0.08 0.11 0.08 -0.92 0.00 0.00 175.35 174.74 1mpe s VAL 5 N 0.85 -0.08 -0.19 3.17 1.01 -1.26 -5.14 120.40 118.76 1mpe s VAL 5 Ca 0.02 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 1mpe s VAL 5 Cb -0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1mpe s VAL 5 CO 0.02 0.10 0.44 -0.63 0.00 0.00 0.00 175.10 175.03 1mpe s ILE 6 N 1.36 5.17 -0.14 2.22 1.01 -1.26 -5.06 121.20 124.50 1mpe s ILE 6 Ca -0.07 0.80 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 1mpe s ILE 6 Cb -0.12 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.63 1mpe s ILE 6 CO -0.05 0.24 0.02 -0.76 0.00 0.00 0.00 174.94 174.39 1mpe s LEU 7 N 1.34 0.91 -0.26 2.97 1.02 -1.26 -5.05 118.68 118.34 1mpe s LEU 7 Ca 0.21 -0.52 -0.02 0.00 0.02 0.00 0.00 54.13 53.82 1mpe s LEU 7 Cb -0.15 -0.53 0.15 0.00 0.02 0.00 0.00 46.19 45.69 1mpe s LEU 7 CO 0.09 -0.26 0.46 0.21 0.02 0.00 0.00 176.35 176.86 1mpe s ASN 8 N 1.91 -0.36 -0.70 2.29 3.84 0.19 -4.16 114.94 117.95 1mpe s ASN 8 Ca 0.02 0.47 -0.27 0.00 0.21 0.00 0.00 52.86 53.29 1mpe s ASN 8 Cb -0.15 1.51 0.02 0.00 -0.55 0.00 0.00 41.25 42.07 1mpe s ASN 8 CO -0.07 -0.28 1.45 -0.83 -2.79 0.00 0.00 177.10 174.58 1mpe s GLY 9 N 2.66 0.68 -0.05 1.21 0.00 0.21 -4.69 107.32 107.35 1mpe s GLY 9 Ca 0.16 -1.17 -0.30 0.00 0.00 0.00 0.00 44.72 43.41 1mpe s GLY 9 CO -0.18 2.88 1.36 -1.59 0.00 0.00 0.00 173.10 175.57 1mpe s LYS 10 N 6.12 4.28 -0.05 2.90 -2.85 -1.26 -4.47 119.74 124.40 1mpe s LYS 10 Ca 0.44 1.87 -0.04 0.00 -1.00 0.00 0.00 55.97 57.25 1mpe s LYS 10 Cb -0.09 -3.65 0.02 0.00 -2.06 0.00 0.00 37.83 32.04 1mpe s LYS 10 CO 0.16 -0.61 0.08 2.41 0.10 0.00 0.00 175.35 177.50 1mpe n THR 11 N 4.88-12.47 -3.15 3.79 -1.04 -1.26 -4.90 114.28 100.13 1mpe n THR 11 Ca 0.13 2.82 -0.45 0.00 -2.04 0.00 0.00 64.05 64.51 1mpe n THR 11 Cb 0.44 -6.04 -0.04 0.00 -1.82 0.00 0.00 70.33 62.87 1mpe n THR 11 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1mpe s LEU 12 N -0.57 5.69 0.00 -4.42 0.20 -1.26 -5.03 118.68 113.28 1mpe s LEU 12 Ca -0.10 -1.78 0.04 0.00 0.69 0.00 0.00 54.13 52.99 1mpe s LEU 12 Cb 0.01 -2.29 0.04 0.00 -0.43 0.00 0.00 46.19 43.52 1mpe s LEU 12 CO 0.26 -0.98 0.35 0.29 -0.29 0.00 0.00 176.35 175.98 1mpe n LYS 13 N 5.81 0.89 -1.14 1.98 5.02 -1.26 -5.03 118.16 124.43 1mpe n LYS 13 Ca -0.02 -2.02 -0.20 0.00 -2.02 0.00 0.00 58.31 54.06 1mpe n LYS 13 Cb 0.44 0.07 0.19 0.00 -0.02 0.00 0.00 35.03 35.70 1mpe n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mpe n GLY 14 N 0.84 4.55 2.85 0.72 0.00 -1.26 -4.89 105.19 108.00 1mpe n GLY 14 Ca 0.04 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 1mpe n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mpe s GLU 15 N -3.28 1.16 -0.44 1.61 0.41 -1.26 -5.11 118.70 111.79 1mpe s GLU 15 Ca 0.55 -0.13 -0.18 0.00 -0.41 0.00 0.00 54.97 54.79 1mpe s GLU 15 Cb 0.46 -1.38 0.03 0.00 -1.78 0.00 0.00 34.13 31.46 1mpe s GLU 15 CO 0.09 -0.29 0.51 0.99 -0.49 0.00 0.00 175.26 176.06 1mpe s THR 16 N 1.81 5.01 0.12 3.63 2.01 -1.26 -4.79 115.64 122.16 1mpe s THR 16 Ca 0.05 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1mpe s THR 16 Cb -0.13 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1mpe s THR 16 CO -0.07 -0.54 0.00 0.41 -0.69 0.00 0.00 174.62 173.73 1mpe n THR 17 N 5.54 0.12 -3.84 -0.82 -1.04 -1.26 -5.14 114.28 107.83 1mpe n THR 17 Ca -0.06 0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 61.89 1mpe n THR 17 Cb 0.47 -0.71 -0.08 0.00 -1.82 0.00 0.00 70.33 68.19 1mpe n THR 17 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1mpe s THR 18 N -2.00 0.12 0.26 12.58 -1.32 -1.26 -5.10 115.64 118.92 1mpe s THR 18 Ca 0.00 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1mpe s THR 18 Cb 0.00 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1mpe s THR 18 CO 0.00 -0.55 0.00 -0.62 -2.21 0.00 0.00 174.62 171.24 1mpe n GLU 19 N 0.39 -4.72 -2.65 7.08 -0.58 -1.26 -5.03 120.64 113.87 1mpe n GLU 19 Ca -0.17 3.40 -0.05 0.00 -0.42 0.00 0.00 57.16 59.92 1mpe n GLU 19 Cb 0.60 -3.67 0.11 0.00 -0.57 0.00 0.00 31.44 27.92 1mpe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mpe n ALA 20 N 1.00 1.54 -3.23 0.62 0.00 -1.26 -5.02 120.51 114.16 1mpe n ALA 20 Ca 0.00 -1.09 -0.46 0.00 0.00 0.00 0.00 53.44 51.89 1mpe n ALA 20 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1mpe n ALA 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mpe s VAL 21 N 0.16 5.50 -0.04 0.00 -7.23 -1.26 -4.98 120.40 112.55 1mpe s VAL 21 Ca 0.15 -2.53 -0.03 0.00 -1.81 0.00 0.00 61.98 57.76 1mpe s VAL 21 Cb 0.39 -4.59 -0.04 0.00 0.56 0.00 0.00 36.38 32.70 1mpe s VAL 21 CO -0.10 -1.19 0.12 -0.62 -0.31 0.00 0.00 175.10 173.00 1mpe s ASP 22 N 2.29 6.04 0.26 4.85 2.15 -1.26 0.66 116.67 131.66 1mpe s ASP 22 Ca 0.25 0.29 -0.01 0.00 0.43 0.00 0.00 52.55 53.51 1mpe s ASP 22 Cb -0.09 -1.85 0.58 0.00 -0.30 0.00 0.00 42.92 41.26 1mpe s ASP 22 CO -0.08 0.32 1.68 0.00 -0.17 0.00 0.00 175.17 176.92 1mpe h ALA 23 N 4.34 1.14 0.00 3.66 0.00 -1.96 0.38 119.26 126.82 1mpe h ALA 23 Ca -0.51 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1mpe h ALA 23 Cb 1.20 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1mpe h ALA 23 CO 0.62 -0.35 -0.32 0.00 0.00 0.00 0.00 179.25 179.20 1mpe h ALA 24 N 1.67 1.34 -0.81 0.00 0.00 -1.95 -2.85 119.26 116.66 1mpe h ALA 24 Ca 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1mpe h ALA 24 Cb 0.87 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1mpe h ALA 24 CO -0.54 0.40 0.40 1.15 0.00 0.00 0.00 179.25 180.66 1mpe h THR 25 N 0.00 1.25 -0.10 0.00 2.02 -0.63 -1.33 112.91 114.13 1mpe h THR 25 Ca -0.00 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1mpe h THR 25 Cb 0.61 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1mpe h THR 25 CO 0.04 0.29 -0.01 0.15 0.37 0.00 0.00 175.52 176.36 1mpe h PHE 26 N 1.14 0.20 0.04 3.16 3.57 -1.26 -1.48 116.94 122.31 1mpe h PHE 26 Ca 0.28 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1mpe h PHE 26 Cb 0.10 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1mpe h PHE 26 CO 0.01 0.47 -0.15 0.93 -2.23 0.00 0.00 178.31 177.34 1mpe h GLU 27 N -0.13 -0.27 -0.00 1.11 5.08 -1.36 0.13 114.58 119.14 1mpe h GLU 27 Ca 0.03 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1mpe h GLU 27 Cb 0.40 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1mpe h GLU 27 CO 0.01 -0.18 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.62 1mpe h LYS 28 N -0.28 0.01 -0.63 2.33 3.64 -1.30 -0.23 116.57 120.12 1mpe h LYS 28 Ca 0.04 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1mpe h LYS 28 Cb 0.32 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1mpe h LYS 28 CO -0.12 0.37 0.28 0.28 -2.27 0.00 0.00 179.45 177.99 1mpe h VAL 29 N -0.35 1.22 -0.15 2.00 2.07 -1.26 -0.65 116.25 119.14 1mpe h VAL 29 Ca 0.00 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1mpe h VAL 29 Cb 0.37 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1mpe h VAL 29 CO 0.00 0.27 -0.28 0.58 0.02 0.00 0.00 177.57 178.16 1mpe h VAL 30 N 0.87 1.36 -0.31 2.57 2.07 -0.78 -0.92 116.25 121.11 1mpe h VAL 30 Ca 0.21 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1mpe h VAL 30 Cb 0.16 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1mpe h VAL 30 CO -0.02 0.46 0.13 0.50 0.02 0.00 0.00 177.57 178.66 1mpe h LYS 31 N 0.06 0.46 -0.29 1.57 3.64 -0.99 0.33 116.57 121.35 1mpe h LYS 31 Ca 0.01 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1mpe h LYS 31 Cb 0.87 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1mpe h LYS 31 CO 0.06 0.45 0.11 0.37 -2.27 0.00 0.00 179.45 178.18 1mpe h GLN 32 N 0.36 0.43 -0.20 1.90 5.75 -1.16 0.52 115.11 122.72 1mpe h GLN 32 Ca 0.11 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1mpe h GLN 32 Cb 0.16 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1mpe h GLN 32 CO -0.01 0.45 -0.05 0.35 -2.65 0.00 0.00 178.83 176.93 1mpe h PHE 33 N 0.31 0.42 -0.02 3.99 3.57 -1.04 -3.20 116.94 120.98 1mpe h PHE 33 Ca 0.10 -0.09 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1mpe h PHE 33 Cb 0.18 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1mpe h PHE 33 CO -0.01 0.63 -0.83 0.74 -2.23 0.00 0.00 178.31 176.62 1mpe h PHE 34 N 0.10 0.37 -0.44 0.41 -1.00 -0.33 -3.16 116.94 112.88 1mpe h PHE 34 Ca 0.05 -0.19 0.11 0.00 2.81 0.00 0.00 57.97 60.75 1mpe h PHE 34 Cb 0.49 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 1mpe h PHE 34 CO 0.05 0.97 0.31 -0.91 -1.61 0.00 0.00 178.31 177.12 1mpe h ASN 35 N 0.15 0.10 0.18 2.17 -0.26 0.02 0.71 115.58 118.65 1mpe h ASN 35 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1mpe h ASN 35 Cb 1.43 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.67 1mpe h ASN 35 CO 0.13 0.06 0.00 0.44 -1.06 0.00 0.00 177.43 177.00 1mpe h ASP 36 N 0.11 0.00 0.00 5.81 3.32 -1.54 -2.46 116.42 121.66 1mpe h ASP 36 Ca 0.21 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1mpe h ASP 36 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1mpe h ASP 36 CO -0.02 0.00 -1.77 -0.46 -1.72 0.00 0.00 179.24 175.27 1mpe n ASN 37 N -2.71 1.44 0.00 6.45 0.23 0.21 -5.00 115.26 115.88 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 1.55 0.00 0.00 -2.08 0.00 0.00 39.78 39.35 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 1.71 0.27 3.83 4.83 0.00 -0.93 -5.14 105.19 109.76 1mpe n GLY 38 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.80 4.78 0.35 1.61 1.01 -1.08 -4.98 120.40 121.29 1mpe s VAL 39 Ca 0.00 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 1mpe s VAL 39 Cb 0.00 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1mpe s VAL 39 CO 0.00 0.34 0.66 0.47 0.00 0.00 0.00 175.10 176.56 1mpe n ASP 40 N 1.08 -1.90 0.00 3.32 8.00 -1.26 -3.95 116.55 121.85 1mpe n ASP 40 Ca -0.06 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 52.90 1mpe n ASP 40 Cb 0.51 3.23 0.00 0.00 -0.02 0.00 0.00 41.12 44.84 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 -0.50 0.17 3.20 0.44 0.00 -1.26 -5.07 105.19 102.17 1mpe n GLY 41 Ca -0.06 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 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 0.74 -0.20 1.61 2.02 -1.26 -5.12 118.70 116.49 1mpe s GLU 42 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1mpe s GLU 42 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.52 1mpe s GLU 42 CO 0.00 -0.22 1.39 -1.58 0.02 0.00 0.00 175.26 174.86 1mpe s TRP 43 N -2.64 2.55 -0.04 1.61 0.52 -1.26 -5.01 118.94 114.68 1mpe s TRP 43 Ca -0.04 0.78 0.02 0.00 0.02 0.00 0.00 56.10 56.88 1mpe s TRP 43 Cb -0.01 -3.75 -0.03 0.00 -1.15 0.00 0.00 33.47 28.53 1mpe s TRP 43 CO -0.04 -2.21 -0.08 0.95 0.02 0.00 0.00 176.95 175.59 1mpe s THR 44 N 4.12 3.60 0.42 2.01 -4.23 -1.26 -5.10 115.64 115.20 1mpe s THR 44 Ca 0.61 -0.62 -0.24 0.00 -1.18 0.00 0.00 61.69 60.25 1mpe s THR 44 Cb -0.22 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 1mpe s THR 44 CO 0.21 0.52 1.18 -0.31 -0.54 0.00 0.00 174.62 175.68 1mpe s TYR 45 N -0.87 2.98 0.73 3.99 2.02 -1.26 -5.01 117.35 119.92 1mpe s TYR 45 Ca 0.14 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.27 1mpe s TYR 45 Cb -0.11 -3.41 0.03 0.00 -0.40 0.00 0.00 41.96 38.08 1mpe s TYR 45 CO 0.04 -1.44 1.08 -0.51 -1.57 0.00 0.00 175.55 173.14 1mpe s ASP 46 N -1.20 4.95 0.08 2.29 1.11 -1.26 -4.96 116.67 117.68 1mpe s ASP 46 Ca 0.60 1.73 -0.31 0.00 0.18 0.00 0.00 52.55 54.75 1mpe s ASP 46 Cb -0.30 -2.51 -0.08 0.00 1.07 0.00 0.00 42.92 41.10 1mpe s ASP 46 CO 0.38 -1.73 1.57 -1.81 1.18 0.00 0.00 175.17 174.75 1mpe s ASP 47 N -3.56 6.67 0.45 0.27 1.01 -1.26 -4.94 116.67 115.31 1mpe s ASP 47 Ca 0.60 2.42 -0.24 0.00 0.71 0.00 0.00 52.55 56.04 1mpe s ASP 47 Cb -0.16 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.11 1mpe s ASP 47 CO 0.55 -0.82 1.17 0.00 0.21 0.00 0.00 175.17 176.27 1mpe n ALA 48 N 5.14 0.86 -2.39 5.23 0.00 -1.26 -5.02 120.51 123.07 1mpe n ALA 48 Ca 0.15 0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 1mpe n ALA 48 Cb 0.41 -2.20 -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 -1.26 0.24 -0.15 0.00 2.01 -1.26 -5.15 115.64 110.06 1mpe s THR 49 Ca 0.64 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1mpe s THR 49 Cb -0.50 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1mpe s THR 49 CO 0.56 -0.82 -0.14 -0.54 -0.69 0.00 0.00 174.62 172.99 1mpe s LYS 50 N -3.09 2.27 -0.14 4.92 1.02 -1.26 -5.12 119.74 118.34 1mpe s LYS 50 Ca -0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 55.97 55.37 1mpe s LYS 50 Cb 0.02 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1mpe s LYS 50 CO -0.06 -0.25 0.03 0.99 -0.92 0.00 0.00 175.35 175.14 1mpe s THR 51 N 1.48 4.55 -0.26 2.17 2.01 -1.26 -5.08 115.64 119.26 1mpe s THR 51 Ca 0.05 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 1mpe s THR 51 Cb -0.13 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.39 1mpe s THR 51 CO -0.11 0.52 1.05 0.12 -0.69 0.00 0.00 174.62 175.51 1mpe s PHE 52 N -0.11 3.27 -0.21 4.92 5.36 -1.26 -5.02 117.98 124.93 1mpe s PHE 52 Ca 0.06 1.36 -0.18 0.00 -0.96 0.00 0.00 56.93 57.21 1mpe s PHE 52 Cb -0.12 -3.41 -0.03 0.00 -0.34 0.00 0.00 43.02 39.11 1mpe s PHE 52 CO 0.02 -0.58 0.52 0.99 -1.46 0.00 0.00 175.22 174.70 1mpe s THR 53 N 3.35 5.10 0.63 0.12 2.01 -1.26 -5.06 115.64 120.54 1mpe s THR 53 Ca 0.44 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 63.22 1mpe s THR 53 Cb -0.14 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1mpe s THR 53 CO 0.09 0.16 1.09 -0.69 -0.69 0.00 0.00 174.62 174.58 1mpe s VAL 54 N 1.79 3.46 0.08 3.82 1.01 -1.26 -4.96 120.40 124.34 1mpe s VAL 54 Ca 0.23 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1mpe s VAL 54 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.01 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 -2.28 0.00 -0.49 3.92 -1.04 -1.26 -5.34 114.28 107.80 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 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81