#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 4.16 -0.18 0.03 0.74 -1.26 -5.05 119.66 118.10 1mpe s GLN 2 Ca 0.00 0.58 -0.06 0.00 0.05 0.00 0.00 55.36 55.93 1mpe s GLN 2 Cb 0.00 -3.62 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 1mpe s GLN 2 CO 0.00 -0.33 0.02 0.71 -0.55 0.00 0.00 175.29 175.14 1mpe s TYR 3 N 2.23 3.14 -0.14 1.67 2.02 -1.26 -5.10 117.35 119.91 1mpe s TYR 3 Ca 0.27 -0.14 -0.05 0.00 -0.37 0.00 0.00 57.07 56.79 1mpe s TYR 3 Cb -0.16 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1mpe s TYR 3 CO 0.09 0.02 0.01 0.15 -1.57 0.00 0.00 175.55 174.26 1mpe s LYS 4 N 0.49 3.58 -0.06 -0.62 1.02 -1.26 -5.10 119.74 117.80 1mpe s LYS 4 Ca 0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 1mpe s LYS 4 Cb -0.13 -2.99 0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1mpe s LYS 4 CO 0.02 0.40 0.11 0.08 -0.92 0.00 0.00 175.35 175.04 1mpe s VAL 5 N -0.02 -0.10 -0.31 3.17 1.01 -1.26 -5.13 120.40 117.76 1mpe s VAL 5 Ca 0.04 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1mpe s VAL 5 Cb -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1mpe s VAL 5 CO 0.02 0.10 0.20 -0.63 0.00 0.00 0.00 175.10 174.79 1mpe s ILE 6 N 1.46 5.15 -0.25 2.22 1.01 -1.26 -5.07 121.20 124.47 1mpe s ILE 6 Ca -0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 1mpe s ILE 6 Cb -0.12 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1mpe s ILE 6 CO -0.05 0.11 0.08 -0.76 0.00 0.00 0.00 174.94 174.32 1mpe s LEU 7 N 1.72 3.54 -0.27 2.97 1.02 -1.26 -5.05 118.68 121.34 1mpe s LEU 7 Ca 0.06 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 1mpe s LEU 7 Cb -0.17 -1.95 0.16 0.00 0.02 0.00 0.00 46.19 44.25 1mpe s LEU 7 CO 0.10 -0.02 0.46 0.20 0.02 0.00 0.00 176.35 177.11 1mpe s ASN 8 N 1.52 -0.34 -0.59 2.29 0.01 -1.24 -4.86 114.94 111.74 1mpe s ASN 8 Ca 0.06 0.30 0.06 0.00 -0.71 0.00 0.00 52.86 52.57 1mpe s ASN 8 Cb -0.15 1.48 0.24 0.00 0.41 0.00 0.00 41.25 43.23 1mpe s ASN 8 CO 0.04 -0.30 0.65 0.61 -1.51 0.00 0.00 177.10 176.60 1mpe n GLY 9 N 5.39 4.20 2.63 0.66 0.00 -1.08 -4.84 105.19 112.14 1mpe n GLY 9 Ca -0.01 -2.44 -0.24 0.00 0.00 0.00 0.00 46.02 43.33 1mpe n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mpe s LYS 10 N -1.98 0.05 0.21 1.61 1.02 -1.26 -4.81 119.74 114.59 1mpe s LYS 10 Ca 0.37 0.02 -0.20 0.00 0.02 0.00 0.00 55.97 56.17 1mpe s LYS 10 Cb 0.13 -1.56 -0.08 0.00 -0.52 0.00 0.00 37.83 35.79 1mpe s LYS 10 CO -0.06 -0.61 0.73 0.95 -0.92 0.00 0.00 175.35 175.44 1mpe s THR 11 N 2.16 4.54 0.15 2.17 -4.23 -1.26 -4.98 115.64 114.19 1mpe s THR 11 Ca 0.03 1.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.89 1mpe s THR 11 Cb -0.15 -3.89 -0.18 0.00 1.34 0.00 0.00 72.50 69.62 1mpe s THR 11 CO -0.08 0.25 1.33 0.25 -0.54 0.00 0.00 174.62 175.83 1mpe h LEU 12 N 3.54 0.29 -9.64 4.79 5.85 -2.05 -3.46 115.31 114.63 1mpe h LEU 12 Ca -0.48 -0.25 -0.59 0.00 0.84 0.00 0.00 57.88 57.41 1mpe h LEU 12 Cb 1.20 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.03 1mpe h LEU 12 CO 0.65 1.08 -0.60 -1.59 -0.34 0.00 0.00 178.44 177.64 1mpe s LYS 13 N -3.10 2.08 1.42 1.25 -2.85 -1.26 -5.06 119.74 112.23 1mpe s LYS 13 Ca -0.03 -1.79 0.00 0.00 -1.00 0.00 0.00 55.97 53.15 1mpe s LYS 13 Cb 0.10 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1mpe s LYS 13 CO 0.84 0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.79 1mpe n GLY 14 N -0.99 -1.63 2.87 0.59 0.00 -1.26 -4.85 105.19 99.92 1mpe n GLY 14 Ca -0.04 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 1mpe n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mpe s GLU 15 N 0.00 1.32 0.53 1.61 -1.05 -1.26 -5.11 118.70 114.74 1mpe s GLU 15 Ca 0.00 -0.49 -0.21 0.00 -0.15 0.00 0.00 54.97 54.12 1mpe s GLU 15 Cb 0.00 -1.98 -0.05 0.00 -0.44 0.00 0.00 34.13 31.66 1mpe s GLU 15 CO 0.00 -0.45 1.23 -0.08 0.95 0.00 0.00 175.26 176.91 1mpe s THR 16 N 1.67 2.65 0.22 1.83 -1.32 -1.26 -4.87 115.64 114.56 1mpe s THR 16 Ca 0.01 0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 1mpe s THR 16 Cb -0.15 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.62 1mpe s THR 16 CO -0.08 -0.04 0.00 0.41 -2.21 0.00 0.00 174.62 172.70 1mpe n THR 17 N -1.06 0.00 -3.48 5.08 -1.04 -1.26 -5.03 114.28 107.49 1mpe n THR 17 Ca 0.11 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 1mpe n THR 17 Cb 0.48 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 1mpe n THR 17 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1mpe s THR 18 N -2.00 5.23 -0.03 12.58 -4.23 -1.26 -5.04 115.64 120.89 1mpe s THR 18 Ca 0.00 -3.55 -0.30 0.00 -1.18 0.00 0.00 61.69 56.66 1mpe s THR 18 Cb 0.00 -4.18 -0.06 0.00 1.34 0.00 0.00 72.50 69.60 1mpe s THR 18 CO 0.00 -1.13 1.63 -1.61 -0.54 0.00 0.00 174.62 172.98 1mpe s GLU 19 N -1.19 4.19 0.00 3.99 2.02 -1.26 -4.93 118.70 121.52 1mpe s GLU 19 Ca 0.28 2.19 0.00 0.00 0.02 0.00 0.00 54.97 57.47 1mpe s GLU 19 Cb -0.09 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.25 1mpe s GLU 19 CO -0.10 -0.81 0.00 0.00 0.02 0.00 0.00 175.26 174.38 1mpe n ALA 20 N 6.74 0.00 -1.60 5.21 0.00 -1.26 -4.65 120.51 124.95 1mpe n ALA 20 Ca 0.17 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1mpe n ALA 20 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1mpe n ALA 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mpe n VAL 21 N -1.90 2.56 -3.87 0.00 0.31 -1.26 -4.87 118.33 109.30 1mpe n VAL 21 Ca 0.00 -2.35 -0.37 0.00 -0.01 0.00 0.00 64.34 61.61 1mpe n VAL 21 Cb 0.00 -2.39 -0.06 0.00 -0.91 0.00 0.00 33.84 30.48 1mpe n VAL 21 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mpe s ASP 22 N 4.55 6.40 0.29 4.52 2.15 -1.26 -2.65 116.67 130.67 1mpe s ASP 22 Ca 0.55 0.47 0.03 0.00 0.43 0.00 0.00 52.55 54.03 1mpe s ASP 22 Cb 0.11 -2.07 0.68 0.00 -0.30 0.00 0.00 42.92 41.35 1mpe s ASP 22 CO 0.05 0.39 1.75 0.00 -0.17 0.00 0.00 175.17 177.19 1mpe h ALA 23 N 4.82 1.50 -0.06 3.66 0.00 -1.91 0.20 119.26 127.47 1mpe h ALA 23 Ca -0.54 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1mpe h ALA 23 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1mpe h ALA 23 CO 0.59 -0.15 -0.34 0.00 0.00 0.00 0.00 179.25 179.35 1mpe h ALA 24 N 1.64 1.32 -0.68 0.00 0.00 -1.97 -2.77 119.26 116.80 1mpe h ALA 24 Ca 0.54 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1mpe h ALA 24 Cb 0.89 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1mpe h ALA 24 CO -0.42 0.48 0.23 1.15 0.00 0.00 0.00 179.25 180.69 1mpe h THR 25 N 0.10 1.25 -0.18 0.00 2.02 -0.95 -2.16 112.91 113.00 1mpe h THR 25 Ca 0.01 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1mpe h THR 25 Cb 0.65 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1mpe h THR 25 CO 0.05 0.33 -0.02 0.15 0.37 0.00 0.00 175.52 176.40 1mpe h PHE 26 N 0.99 0.36 -0.19 3.16 3.57 -1.29 -2.28 116.94 121.26 1mpe h PHE 26 Ca 0.22 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.70 1mpe h PHE 26 Cb 0.28 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1mpe h PHE 26 CO 0.02 0.56 -0.10 1.49 -2.23 0.00 0.00 178.31 178.05 1mpe h GLU 27 N 0.06 -0.08 -0.30 1.11 4.81 -1.35 -0.83 114.58 118.00 1mpe h GLU 27 Ca 0.05 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1mpe h GLU 27 Cb 0.43 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1mpe h GLU 27 CO 0.01 -0.05 -0.05 -0.22 -0.73 0.00 0.00 179.01 177.97 1mpe h LYS 28 N -0.08 0.57 -0.74 1.92 3.64 -1.43 -2.48 116.57 117.97 1mpe h LYS 28 Ca 0.11 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1mpe h LYS 28 Cb 0.24 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1mpe h LYS 28 CO -0.25 0.75 0.35 0.28 -2.27 0.00 0.00 179.45 178.31 1mpe h VAL 29 N 0.34 1.24 -0.15 2.00 2.07 -1.26 -1.47 116.25 119.03 1mpe h VAL 29 Ca 0.08 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1mpe h VAL 29 Cb 0.52 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1mpe h VAL 29 CO 0.03 0.29 -0.05 0.58 0.02 0.00 0.00 177.57 178.43 1mpe h VAL 30 N 1.04 1.30 -0.34 2.57 2.07 -1.15 0.19 116.25 121.94 1mpe h VAL 30 Ca 0.25 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1mpe h VAL 30 Cb 0.13 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1mpe h VAL 30 CO -0.03 0.31 0.15 0.50 0.02 0.00 0.00 177.57 178.52 1mpe h LYS 31 N -0.03 0.49 -0.61 1.57 3.64 -1.40 0.18 116.57 120.42 1mpe h LYS 31 Ca 0.03 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1mpe h LYS 31 Cb 0.50 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1mpe h LYS 31 CO 0.02 0.46 0.04 0.37 -2.27 0.00 0.00 179.45 178.07 1mpe h GLN 32 N 0.40 1.04 -0.02 1.90 5.75 -1.28 0.11 115.11 123.01 1mpe h GLN 32 Ca 0.11 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1mpe h GLN 32 Cb 0.14 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 1mpe h GLN 32 CO -0.01 1.00 -0.01 0.35 -2.65 0.00 0.00 178.83 177.51 1mpe h PHE 33 N 0.94 0.05 0.01 3.99 3.57 -0.78 -3.30 116.94 121.41 1mpe h PHE 33 Ca 0.18 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.48 1mpe h PHE 33 Cb 0.50 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1mpe h PHE 33 CO 0.04 0.45 -0.87 0.74 -2.23 0.00 0.00 178.31 176.43 1mpe h PHE 34 N -0.37 0.10 -0.58 0.41 0.04 -0.99 -3.23 116.94 112.33 1mpe h PHE 34 Ca 0.00 -0.06 0.15 0.00 2.80 0.00 0.00 57.97 60.87 1mpe h PHE 34 Cb 0.43 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1mpe h PHE 34 CO 0.07 0.90 0.41 -0.91 -0.60 0.00 0.00 178.31 178.18 1mpe h ASN 35 N 0.03 0.10 0.18 2.17 -0.26 -0.86 0.22 115.58 117.16 1mpe h ASN 35 Ca -0.02 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1mpe h ASN 35 Cb 1.52 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.76 1mpe h ASN 35 CO 0.12 0.05 0.00 0.44 -1.06 0.00 0.00 177.43 176.98 1mpe h ASP 36 N 0.11 0.00 0.00 5.81 5.19 -1.63 -2.20 116.42 123.70 1mpe h ASP 36 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1mpe h ASP 36 Cb 0.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1mpe h ASP 36 CO -0.03 0.00 -1.82 0.59 -3.12 0.00 0.00 179.24 174.86 1mpe n ASN 37 N -2.75 0.87 0.00 6.45 3.02 0.74 -4.99 115.26 118.61 1mpe n ASN 37 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1mpe n ASN 37 Cb 0.10 1.82 0.00 0.00 -0.61 0.00 0.00 39.78 41.09 1mpe n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mpe n GLY 38 N 1.48 1.24 3.82 7.41 0.00 -0.83 -5.13 105.19 113.18 1mpe n GLY 38 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.50 4.75 0.29 1.61 1.01 -1.12 -4.99 120.40 120.45 1mpe s VAL 39 Ca 0.00 1.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.99 1mpe s VAL 39 Cb 0.00 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1mpe s VAL 39 CO 0.00 0.37 0.52 0.47 0.00 0.00 0.00 175.10 176.46 1mpe n ASP 40 N 1.18 -1.49 0.00 3.32 8.00 -1.26 -4.00 116.55 122.30 1mpe n ASP 40 Ca -0.07 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.13 1mpe n ASP 40 Cb 0.51 2.56 0.00 0.00 -0.02 0.00 0.00 41.12 44.17 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 -0.42 0.16 3.22 0.44 0.00 -1.26 -5.07 105.19 102.26 1mpe n GLY 41 Ca -0.04 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 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 0.79 -0.12 1.61 2.02 -1.26 -5.13 118.70 116.62 1mpe s GLU 42 Ca 0.00 -0.63 -0.29 0.00 0.02 0.00 0.00 54.97 54.07 1mpe s GLU 42 Cb 0.00 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 34.54 1mpe s GLU 42 CO 0.00 -0.25 1.35 -1.58 0.02 0.00 0.00 175.26 174.80 1mpe s TRP 43 N -2.84 2.70 -0.07 1.61 0.52 -1.26 -5.01 118.94 114.59 1mpe s TRP 43 Ca -0.03 0.84 0.02 0.00 0.02 0.00 0.00 56.10 56.95 1mpe s TRP 43 Cb 0.00 -3.60 -0.03 0.00 -1.15 0.00 0.00 33.47 28.70 1mpe s TRP 43 CO -0.05 -2.18 -0.12 0.95 0.02 0.00 0.00 176.95 175.57 1mpe s THR 44 N 3.38 3.25 0.37 2.01 -4.23 -1.26 -5.10 115.64 114.06 1mpe s THR 44 Ca 0.60 -0.64 -0.26 0.00 -1.18 0.00 0.00 61.69 60.20 1mpe s THR 44 Cb -0.25 -2.30 -0.09 0.00 1.34 0.00 0.00 72.50 71.19 1mpe s THR 44 CO 0.19 0.58 1.20 -0.31 -0.54 0.00 0.00 174.62 175.75 1mpe s TYR 45 N -0.58 3.11 0.72 3.99 2.02 -1.26 -5.01 117.35 120.33 1mpe s TYR 45 Ca 0.08 1.53 -0.12 0.00 -0.37 0.00 0.00 57.07 58.20 1mpe s TYR 45 Cb -0.11 -3.46 0.03 0.00 -0.40 0.00 0.00 41.96 38.01 1mpe s TYR 45 CO 0.01 -1.40 1.08 -0.51 -1.57 0.00 0.00 175.55 173.17 1mpe s ASP 46 N -0.94 4.96 0.18 2.29 1.11 -1.26 -4.97 116.67 118.05 1mpe s ASP 46 Ca 0.54 1.79 -0.31 0.00 0.18 0.00 0.00 52.55 54.75 1mpe s ASP 46 Cb -0.33 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.04 1mpe s ASP 46 CO 0.43 -1.73 1.46 1.51 1.18 0.00 0.00 175.17 178.02 1mpe s ASP 47 N -3.32 6.69 0.39 0.27 -4.77 -1.26 -4.94 116.67 109.73 1mpe s ASP 47 Ca 0.61 2.53 -0.26 0.00 -3.30 0.00 0.00 52.55 52.14 1mpe s ASP 47 Cb -0.17 -2.60 -0.11 0.00 -1.09 0.00 0.00 42.92 38.96 1mpe s ASP 47 CO 0.52 -0.72 1.22 0.00 0.70 0.00 0.00 175.17 176.88 1mpe n ALA 48 N 3.41 1.03 -2.39 2.11 0.00 -1.26 -5.02 120.51 118.39 1mpe n ALA 48 Ca 0.11 0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.73 1mpe n ALA 48 Cb 0.40 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.18 0.56 -0.12 0.00 2.01 -1.26 -5.15 115.64 110.50 1mpe s THR 49 Ca 0.60 -1.63 0.03 0.00 0.31 0.00 0.00 61.69 61.00 1mpe s THR 49 Cb -0.54 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 70.68 1mpe s THR 49 CO 0.59 -0.74 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.02 1mpe s LYS 50 N -3.10 2.93 -0.12 4.92 1.02 -1.26 -5.12 119.74 119.01 1mpe s LYS 50 Ca 0.04 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.21 1mpe s LYS 50 Cb 0.01 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1mpe s LYS 50 CO -0.04 0.05 -0.15 0.99 -0.92 0.00 0.00 175.35 175.28 1mpe s THR 51 N 0.66 2.85 -0.21 2.17 2.01 -1.26 -5.10 115.64 116.77 1mpe s THR 51 Ca -0.11 -0.73 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1mpe s THR 51 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.17 1mpe s THR 51 CO 0.02 0.53 0.99 0.12 -0.69 0.00 0.00 174.62 175.59 1mpe s PHE 52 N 0.35 3.37 -0.25 4.92 5.36 -1.26 -5.02 117.98 125.45 1mpe s PHE 52 Ca -0.13 1.43 -0.14 0.00 -0.96 0.00 0.00 56.93 57.13 1mpe s PHE 52 Cb -0.16 -3.21 -0.04 0.00 -0.34 0.00 0.00 43.02 39.27 1mpe s PHE 52 CO 0.06 -0.41 0.32 0.99 -1.46 0.00 0.00 175.22 174.73 1mpe s THR 53 N 2.87 5.23 0.65 0.12 2.01 -1.26 -5.07 115.64 120.19 1mpe s THR 53 Ca 0.43 0.50 -0.15 0.00 0.31 0.00 0.00 61.69 62.78 1mpe s THR 53 Cb -0.16 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1mpe s THR 53 CO 0.09 0.22 1.09 -0.69 -0.69 0.00 0.00 174.62 174.64 1mpe s VAL 54 N 1.67 3.42 0.02 3.82 1.01 -1.26 -4.96 120.40 124.11 1mpe s VAL 54 Ca 0.14 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.75 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 -0.43 0.00 0.41 0.00 0.00 0.00 175.10 175.16 1mpe n THR 55 N -2.45 0.00 0.96 3.92 -1.04 -1.26 -5.34 114.28 109.07 1mpe n THR 55 Ca 0.10 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.22 1mpe n THR 55 Cb 0.52 -0.01 0.10 0.00 -1.82 0.00 0.00 70.33 69.12 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81