#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 2.12 -2.07 -1.26 -5.06 119.66 117.47 1mpe s GLN 2 Ca 0.00 0.42 -0.03 0.00 -1.82 0.00 0.00 55.36 53.94 1mpe s GLN 2 Cb 0.00 -3.55 -0.03 0.00 -1.09 0.00 0.00 33.01 28.34 1mpe s GLN 2 CO 0.00 -0.11 -0.03 0.71 -1.32 0.00 0.00 175.29 174.53 1mpe s TYR 3 N 1.52 3.04 -0.20 9.60 2.02 -1.26 -5.10 117.35 126.97 1mpe s TYR 3 Ca 0.24 -0.14 -0.06 0.00 -0.37 0.00 0.00 57.07 56.74 1mpe s TYR 3 Cb -0.15 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1mpe s TYR 3 CO 0.10 0.13 0.03 0.21 -1.57 0.00 0.00 175.55 174.44 1mpe s LYS 4 N -0.08 3.75 -0.04 -0.62 2.20 -1.26 -5.09 119.74 118.59 1mpe s LYS 4 Ca 0.02 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1mpe s LYS 4 Cb -0.13 -3.14 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 1mpe s LYS 4 CO 0.02 0.10 0.09 0.08 -0.36 0.00 0.00 175.35 175.28 1mpe s VAL 5 N 0.81 -0.05 -0.23 4.02 1.01 -1.26 -5.14 120.40 119.55 1mpe s VAL 5 Ca 0.02 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 1mpe s VAL 5 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1mpe s VAL 5 CO 0.02 0.08 0.36 -0.63 0.00 0.00 0.00 175.10 174.93 1mpe s ILE 6 N 1.13 5.21 -0.15 2.22 1.01 -1.26 -5.06 121.20 124.30 1mpe s ILE 6 Ca -0.09 0.58 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 1mpe s ILE 6 Cb -0.12 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1mpe s ILE 6 CO -0.05 0.22 0.02 -0.76 0.00 0.00 0.00 174.94 174.38 1mpe s LEU 7 N 1.59 1.02 0.40 2.97 1.02 -1.26 -4.96 118.68 119.46 1mpe s LEU 7 Ca 0.16 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.72 1mpe s LEU 7 Cb -0.15 -0.57 0.00 0.00 0.02 0.00 0.00 46.19 45.49 1mpe s LEU 7 CO 0.08 -0.26 0.00 -3.20 0.02 0.00 0.00 176.35 172.99 1mpe n ASN 8 N 5.07 -2.69 0.00 2.29 5.15 0.13 -4.24 115.26 120.98 1mpe n ASN 8 Ca -0.09 0.74 0.00 0.00 -0.60 0.00 0.00 54.58 54.63 1mpe n ASN 8 Cb 0.48 2.59 0.00 0.00 -0.53 0.00 0.00 39.78 42.32 1mpe n ASN 8 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mpe n GLY 9 N -0.39 2.90 1.41 8.20 0.00 -1.15 -4.36 105.19 111.79 1mpe n GLY 9 Ca 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.41 1mpe n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mpe n LYS 10 N 0.00 -3.48 -1.76 1.61 4.81 -1.26 -4.89 118.16 113.18 1mpe n LYS 10 Ca 0.00 2.78 -0.31 0.00 -0.87 0.00 0.00 58.31 59.90 1mpe n LYS 10 Cb 0.00 -3.70 0.03 0.00 0.02 0.00 0.00 35.03 31.38 1mpe n LYS 10 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1mpe s THR 11 N -4.77 4.08 -0.02 3.15 -1.32 -1.26 -4.96 115.64 110.54 1mpe s THR 11 Ca 0.00 0.76 -0.30 0.00 -1.21 0.00 0.00 61.69 60.94 1mpe s THR 11 Cb 0.00 -3.46 -0.06 0.00 -1.51 0.00 0.00 72.50 67.46 1mpe s THR 11 CO 0.00 -0.79 1.69 -0.76 -2.21 0.00 0.00 174.62 172.54 1mpe s LEU 12 N -5.17 4.34 -0.42 9.08 2.01 -1.26 -4.94 118.68 122.33 1mpe s LEU 12 Ca 0.59 2.33 0.06 0.00 0.01 0.00 0.00 54.13 57.12 1mpe s LEU 12 Cb -0.14 -3.54 0.17 0.00 0.01 0.00 0.00 46.19 42.70 1mpe s LEU 12 CO 0.49 -0.93 0.55 -0.75 1.01 0.00 0.00 176.35 176.73 1mpe s LYS 13 N 3.82 0.81 -0.27 1.70 2.47 -1.26 -4.96 119.74 122.05 1mpe s LYS 13 Ca 0.75 -0.67 -0.01 0.00 -1.56 0.00 0.00 55.97 54.48 1mpe s LYS 13 Cb -0.36 -0.25 -0.01 0.00 -1.46 0.00 0.00 37.83 35.75 1mpe s LYS 13 CO 0.31 -1.23 0.23 0.41 0.16 0.00 0.00 175.35 175.24 1mpe n GLY 14 N 4.04 0.31 3.39 5.54 0.00 -1.26 -5.08 105.19 112.14 1mpe n GLY 14 Ca 0.13 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.97 0.92 0.12 1.61 -1.05 -1.26 -5.16 118.70 109.91 1mpe s GLU 15 Ca 0.04 -0.03 -0.11 0.00 -0.15 0.00 0.00 54.97 54.71 1mpe s GLU 15 Cb -0.01 0.42 -0.06 0.00 -0.44 0.00 0.00 34.13 34.04 1mpe s GLU 15 CO 0.17 -0.29 0.48 0.99 0.95 0.00 0.00 175.26 177.56 1mpe s THR 16 N -1.58 4.98 0.05 1.83 2.01 -1.26 -4.96 115.64 116.71 1mpe s THR 16 Ca -0.10 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1mpe s THR 16 Cb -0.02 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1mpe s THR 16 CO 0.05 0.23 0.00 0.35 -0.69 0.00 0.00 174.62 174.56 1mpe n THR 17 N 0.74 0.00 -4.29 -0.82 -2.24 -1.26 -4.92 114.28 101.48 1mpe n THR 17 Ca -0.06 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 1mpe n THR 17 Cb 0.52 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 1mpe n THR 17 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1mpe s THR 18 N -0.34 1.66 0.17 4.28 -1.32 -1.26 -5.07 115.64 113.76 1mpe s THR 18 Ca 0.00 -1.75 0.01 0.00 -1.21 0.00 0.00 61.69 58.74 1mpe s THR 18 Cb 0.00 -2.41 -0.00 0.00 -1.51 0.00 0.00 72.50 68.57 1mpe s THR 18 CO 0.00 0.00 0.03 -1.84 -2.21 0.00 0.00 174.62 170.60 1mpe n GLU 19 N -1.41 1.09 -2.71 7.08 0.28 -1.26 -5.10 120.64 118.60 1mpe n GLU 19 Ca -0.08 -1.38 -0.08 0.00 -0.16 0.00 0.00 57.16 55.47 1mpe n GLU 19 Cb 0.65 0.59 0.11 0.00 1.43 0.00 0.00 31.44 34.22 1mpe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mpe n ALA 20 N -2.30 1.11 -3.29 -1.84 0.00 -1.26 -5.06 120.51 107.87 1mpe n ALA 20 Ca -0.07 -1.51 -0.46 0.00 0.00 0.00 0.00 53.44 51.41 1mpe n ALA 20 Cb 0.24 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.11 5.73 -0.07 0.00 -7.23 -1.26 -4.98 120.40 112.48 1mpe s VAL 21 Ca 0.23 -2.93 -0.05 0.00 -1.81 0.00 0.00 61.98 57.43 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 -0.07 -1.18 0.15 -0.62 -0.31 0.00 0.00 175.10 173.07 1mpe s ASP 22 N 1.86 6.31 0.27 4.85 -1.08 -1.26 0.22 116.67 127.83 1mpe s ASP 22 Ca 0.27 0.39 -0.01 0.00 -0.52 0.00 0.00 52.55 52.68 1mpe s ASP 22 Cb -0.09 -2.00 0.59 0.00 -1.46 0.00 0.00 42.92 39.96 1mpe s ASP 22 CO -0.08 0.34 1.68 0.00 0.52 0.00 0.00 175.17 177.63 1mpe h ALA 23 N 4.44 1.15 0.00 3.66 0.00 -1.86 0.40 119.26 127.06 1mpe h ALA 23 Ca -0.52 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1mpe h ALA 23 Cb 1.21 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1mpe h ALA 23 CO 0.63 -0.36 -0.32 0.00 0.00 0.00 0.00 179.25 179.20 1mpe h ALA 24 N 1.68 1.33 -0.85 0.00 0.00 -1.95 -2.83 119.26 116.64 1mpe h ALA 24 Ca 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1mpe h ALA 24 Cb 0.89 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1mpe h ALA 24 CO -0.55 0.39 0.45 1.15 0.00 0.00 0.00 179.25 180.69 1mpe h THR 25 N 0.00 1.25 -0.05 0.00 2.02 -0.58 -1.30 112.91 114.26 1mpe h THR 25 Ca -0.00 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1mpe h THR 25 Cb 0.61 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 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 1.19 0.10 0.11 3.16 3.57 -1.25 -1.71 116.94 122.11 1mpe h PHE 26 Ca 0.30 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.79 1mpe h PHE 26 Cb 0.05 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1mpe h PHE 26 CO 0.01 0.40 -0.22 0.93 -2.23 0.00 0.00 178.31 177.20 1mpe h GLU 27 N -0.24 -0.40 -0.02 1.11 5.08 -1.36 0.12 114.58 118.87 1mpe h GLU 27 Ca 0.01 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1mpe h GLU 27 Cb 0.37 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1mpe h GLU 27 CO 0.00 -0.27 0.00 -0.22 -1.00 0.00 0.00 179.01 177.53 1mpe h LYS 28 N -0.42 0.03 -0.72 2.33 3.64 -1.31 -1.06 116.57 119.07 1mpe h LYS 28 Ca 0.03 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1mpe h LYS 28 Cb 0.44 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1mpe h LYS 28 CO -0.13 0.32 0.34 0.28 -2.27 0.00 0.00 179.45 177.99 1mpe h VAL 29 N -0.26 1.24 -0.11 2.00 2.07 -1.29 -1.33 116.25 118.57 1mpe h VAL 29 Ca 0.01 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1mpe h VAL 29 Cb 0.30 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1mpe h VAL 29 CO 0.00 0.28 -0.22 0.58 0.02 0.00 0.00 177.57 178.24 1mpe h VAL 30 N 1.01 1.38 -0.36 2.57 2.07 -0.78 -1.21 116.25 120.93 1mpe h VAL 30 Ca 0.25 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1mpe h VAL 30 Cb 0.13 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1mpe h VAL 30 CO -0.03 0.43 0.16 0.50 0.02 0.00 0.00 177.57 178.65 1mpe h LYS 31 N -0.09 0.54 -0.32 1.57 3.64 -1.17 0.38 116.57 121.12 1mpe h LYS 31 Ca 0.00 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1mpe h LYS 31 Cb 0.81 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1mpe h LYS 31 CO 0.05 0.50 0.12 0.37 -2.27 0.00 0.00 179.45 178.23 1mpe h GLN 32 N 0.45 0.48 -0.18 1.90 5.75 -1.30 0.57 115.11 122.77 1mpe h GLN 32 Ca 0.12 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1mpe h GLN 32 Cb 0.16 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1mpe h GLN 32 CO -0.01 0.49 -0.05 0.35 -2.65 0.00 0.00 178.83 176.95 1mpe h PHE 33 N 0.36 0.41 -0.02 3.99 3.57 -1.07 -3.20 116.94 120.97 1mpe h PHE 33 Ca 0.11 -0.09 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 1mpe h PHE 33 Cb 0.19 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1mpe h PHE 33 CO -0.00 0.63 -0.81 0.74 -2.23 0.00 0.00 178.31 176.64 1mpe h PHE 34 N 0.07 0.38 -0.47 0.41 -1.00 -0.22 -3.15 116.94 112.96 1mpe h PHE 34 Ca 0.05 -0.19 0.12 0.00 2.81 0.00 0.00 57.97 60.75 1mpe h PHE 34 Cb 0.51 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1mpe h PHE 34 CO 0.05 0.97 0.33 -0.91 -1.61 0.00 0.00 178.31 177.14 1mpe h ASN 35 N 0.17 0.10 0.15 2.17 -0.26 0.12 0.11 115.58 118.14 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 1.40 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 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 -2.33 116.42 121.80 1mpe h ASP 36 Ca 0.22 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1mpe h ASP 36 Cb 0.74 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 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 -2.81 1.25 0.00 6.45 0.23 0.36 -4.99 115.26 115.74 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 0.09 1.69 0.00 0.00 -2.08 0.00 0.00 39.78 39.48 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 1.61 0.56 3.83 4.83 0.00 -0.87 -5.14 105.19 110.00 1mpe n GLY 38 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.92 4.83 0.39 1.61 1.01 -1.09 -4.98 120.40 121.24 1mpe s VAL 39 Ca 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 62.84 1mpe s VAL 39 Cb 0.00 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1mpe s VAL 39 CO 0.00 0.36 0.68 -1.81 0.00 0.00 0.00 175.10 174.33 1mpe s ASP 40 N -1.49 0.46 0.00 3.32 1.01 -1.26 -4.00 116.67 114.71 1mpe s ASP 40 Ca 0.34 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 52.25 1mpe s ASP 40 Cb -0.16 0.80 0.00 0.00 1.01 0.00 0.00 42.92 44.56 1mpe s ASP 40 CO 0.19 -1.58 0.00 0.61 0.21 0.00 0.00 175.17 174.60 1mpe n GLY 41 N -0.57 0.15 3.23 0.21 0.00 -1.26 -5.07 105.19 101.88 1mpe n GLY 41 Ca -0.05 -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 0.80 -0.17 1.61 2.02 -1.26 -5.13 118.70 116.58 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 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.55 1mpe s GLU 42 CO 0.00 -0.26 1.37 -1.58 0.02 0.00 0.00 175.26 174.82 1mpe s TRP 43 N -2.89 2.60 -0.06 1.61 0.52 -1.26 -5.01 118.94 114.45 1mpe s TRP 43 Ca -0.03 0.80 0.02 0.00 0.02 0.00 0.00 56.10 56.91 1mpe s TRP 43 Cb 0.00 -3.68 -0.03 0.00 -1.15 0.00 0.00 33.47 28.62 1mpe s TRP 43 CO -0.06 -2.21 -0.09 0.95 0.02 0.00 0.00 176.95 175.56 1mpe s THR 44 N 3.87 3.50 0.32 2.01 -4.23 -1.26 -5.10 115.64 114.75 1mpe s THR 44 Ca 0.60 -0.56 -0.28 0.00 -1.18 0.00 0.00 61.69 60.27 1mpe s THR 44 Cb -0.23 -2.41 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 1mpe s THR 44 CO 0.20 0.60 1.16 -0.31 -0.54 0.00 0.00 174.62 175.72 1mpe s TYR 45 N -0.78 3.34 0.75 3.99 2.02 -1.26 -5.01 117.35 120.40 1mpe s TYR 45 Ca 0.12 1.60 -0.11 0.00 -0.37 0.00 0.00 57.07 58.31 1mpe s TYR 45 Cb -0.11 -3.39 0.04 0.00 -0.40 0.00 0.00 41.96 38.10 1mpe s TYR 45 CO 0.01 -1.02 1.08 -0.51 -1.57 0.00 0.00 175.55 173.55 1mpe s ASP 46 N -0.87 4.77 0.27 2.29 1.11 -1.26 -4.97 116.67 118.01 1mpe s ASP 46 Ca 0.49 1.75 -0.30 0.00 0.18 0.00 0.00 52.55 54.67 1mpe s ASP 46 Cb -0.33 -2.50 -0.10 0.00 1.07 0.00 0.00 42.92 41.06 1mpe s ASP 46 CO 0.43 -1.85 1.37 -1.81 1.18 0.00 0.00 175.17 174.48 1mpe s ASP 47 N -3.53 6.74 0.31 0.27 1.01 -1.26 -4.93 116.67 115.28 1mpe s ASP 47 Ca 0.60 2.63 -0.29 0.00 0.71 0.00 0.00 52.55 56.20 1mpe s ASP 47 Cb -0.16 -2.63 -0.13 0.00 1.01 0.00 0.00 42.92 41.01 1mpe s ASP 47 CO 0.56 -0.61 1.31 0.00 0.21 0.00 0.00 175.17 176.64 1mpe n ALA 48 N 1.78 1.15 -2.43 5.23 0.00 -1.26 -5.01 120.51 119.97 1mpe n ALA 48 Ca 0.04 0.38 -0.20 0.00 0.00 0.00 0.00 53.44 53.66 1mpe n ALA 48 Cb 0.41 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 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 -0.77 1.66 -0.18 0.00 2.01 -1.26 -5.14 115.64 111.96 1mpe s THR 49 Ca 0.59 -1.95 0.01 0.00 0.31 0.00 0.00 61.69 60.65 1mpe s THR 49 Cb -0.60 -1.82 0.04 0.00 0.01 0.00 0.00 72.50 70.12 1mpe s THR 49 CO 0.58 -0.43 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.23 1mpe s LYS 50 N -3.02 2.01 -0.18 4.92 2.20 -1.26 -5.11 119.74 119.29 1mpe s LYS 50 Ca 0.16 -0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 54.98 1mpe s LYS 50 Cb -0.04 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.97 1mpe s LYS 50 CO 0.06 -0.38 0.01 0.99 -0.36 0.00 0.00 175.35 175.66 1mpe s THR 51 N 1.45 4.22 -0.35 3.43 2.01 -1.26 -5.07 115.64 120.06 1mpe s THR 51 Ca 0.00 -0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 1mpe s THR 51 Cb -0.15 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.48 1mpe s THR 51 CO -0.09 0.45 1.04 0.12 -0.69 0.00 0.00 174.62 175.46 1mpe s PHE 52 N 0.64 3.09 -0.20 4.92 5.36 -1.26 -5.02 117.98 125.51 1mpe s PHE 52 Ca 0.00 1.04 -0.19 0.00 -0.96 0.00 0.00 56.93 56.82 1mpe s PHE 52 Cb -0.14 -3.76 -0.03 0.00 -0.34 0.00 0.00 43.02 38.75 1mpe s PHE 52 CO 0.02 -0.84 0.53 0.99 -1.46 0.00 0.00 175.22 174.46 1mpe s THR 53 N 3.70 5.10 0.68 0.12 2.01 -1.26 -5.06 115.64 120.92 1mpe s THR 53 Ca 0.44 0.98 -0.14 0.00 0.31 0.00 0.00 61.69 63.28 1mpe s THR 53 Cb -0.12 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1mpe s THR 53 CO 0.18 0.17 1.09 -0.69 -0.69 0.00 0.00 174.62 174.68 1mpe s VAL 54 N 1.68 3.49 0.03 3.82 1.01 -1.26 -4.97 120.40 124.21 1mpe s VAL 54 Ca 0.24 0.62 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 33.07 1mpe s VAL 54 CO 0.10 -0.51 0.00 0.41 0.00 0.00 0.00 175.10 175.10 1mpe n THR 55 N -2.68 0.00 -0.50 3.92 -1.04 -1.26 -5.34 114.28 107.38 1mpe n THR 55 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1mpe n THR 55 Cb 0.53 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81