#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 4.18 -0.14 0.03 0.74 -1.26 -5.05 119.66 118.17 1mpe s GLN 2 Ca 0.00 0.63 -0.03 0.00 0.05 0.00 0.00 55.36 56.01 1mpe s GLN 2 Cb 0.00 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.48 1mpe s GLN 2 CO 0.00 -0.31 -0.03 0.71 -0.55 0.00 0.00 175.29 175.11 1mpe s TYR 3 N 2.16 3.05 -0.17 1.67 2.02 -1.26 -5.10 117.35 119.72 1mpe s TYR 3 Ca 0.29 -0.16 -0.05 0.00 -0.37 0.00 0.00 57.07 56.78 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 0.10 0.10 0.01 0.15 -1.57 0.00 0.00 175.55 174.34 1mpe s LYS 4 N 0.03 3.81 -0.06 -0.62 1.02 -1.26 -5.09 119.74 117.56 1mpe s LYS 4 Ca 0.01 -0.44 -0.02 0.00 0.02 0.00 0.00 55.97 55.54 1mpe s LYS 4 Cb -0.13 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1mpe s LYS 4 CO 0.02 0.24 0.12 0.08 -0.92 0.00 0.00 175.35 174.89 1mpe s VAL 5 N 0.41 -0.13 -0.31 3.17 1.01 -1.26 -5.13 120.40 118.15 1mpe s VAL 5 Ca -0.01 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 1mpe s VAL 5 Cb -0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1mpe s VAL 5 CO 0.02 0.12 0.30 -0.63 0.00 0.00 0.00 175.10 174.90 1mpe s ILE 6 N 1.70 5.23 -0.20 2.22 1.01 -1.26 -5.06 121.20 124.84 1mpe s ILE 6 Ca -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 1mpe s ILE 6 Cb -0.12 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1mpe s ILE 6 CO -0.05 0.05 -0.05 -0.76 0.00 0.00 0.00 174.94 174.13 1mpe s LEU 7 N 1.90 2.90 -0.28 2.97 1.02 -1.26 -5.07 118.68 120.86 1mpe s LEU 7 Ca 0.10 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 53.89 1mpe s LEU 7 Cb -0.16 -1.72 0.17 0.00 0.02 0.00 0.00 46.19 44.49 1mpe s LEU 7 CO 0.11 0.02 0.49 0.54 0.02 0.00 0.00 176.35 177.53 1mpe s ASN 8 N 1.22 -0.59 -1.34 2.29 4.22 -0.98 -4.61 114.94 115.16 1mpe s ASN 8 Ca 0.03 0.39 -0.07 0.00 -2.14 0.00 0.00 52.86 51.06 1mpe s ASN 8 Cb -0.14 1.63 0.11 0.00 1.28 0.00 0.00 41.25 44.13 1mpe s ASN 8 CO -0.02 -0.29 2.26 0.61 -2.04 0.00 0.00 177.10 177.63 1mpe n GLY 9 N 5.39 4.95 1.76 0.45 0.00 -0.51 -4.86 105.19 112.37 1mpe n GLY 9 Ca -0.01 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1mpe n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mpe n LYS 10 N 2.76 -4.74 -3.08 1.61 5.02 -1.26 -4.85 118.16 113.62 1mpe n LYS 10 Ca 0.56 3.42 -0.39 0.00 -2.02 0.00 0.00 58.31 59.88 1mpe n LYS 10 Cb 0.29 -3.67 -0.01 0.00 -0.02 0.00 0.00 35.03 31.62 1mpe n LYS 10 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1mpe n THR 11 N 1.10 4.67 -0.05 -0.18 -2.24 -1.26 -4.63 114.28 111.69 1mpe n THR 11 Ca 0.00 -5.78 -0.07 0.00 -2.27 0.00 0.00 64.05 55.93 1mpe n THR 11 Cb 0.00 -2.04 -0.05 0.00 -2.10 0.00 0.00 70.33 66.14 1mpe n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1mpe n LEU 12 N 1.10 2.98 -2.51 3.22 4.77 -1.26 -5.11 117.00 120.19 1mpe n LEU 12 Ca 0.28 -0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1mpe n LEU 12 Cb 0.35 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1mpe n LEU 12 CO 0.64 0.68 -0.56 1.17 -1.33 0.00 0.00 177.39 177.99 1mpe n LYS 13 N -2.82 -4.65 0.00 3.23 0.00 -1.26 -4.94 118.16 107.72 1mpe n LYS 13 Ca -0.19 3.44 0.00 0.00 0.00 0.00 0.00 58.31 61.56 1mpe n LYS 13 Cb 0.70 -4.67 0.00 0.00 0.00 0.00 0.00 35.03 31.06 1mpe n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mpe n GLY 14 N 1.82 1.70 3.11 3.14 0.00 -1.26 -5.07 105.19 108.63 1mpe n GLY 14 Ca -0.23 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.68 1mpe n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mpe s GLU 15 N 0.00 0.55 0.27 1.61 2.12 -1.26 -5.14 118.70 116.84 1mpe s GLU 15 Ca 0.00 0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.08 1mpe s GLU 15 Cb 0.00 0.12 -0.10 0.00 0.26 0.00 0.00 34.13 34.41 1mpe s GLU 15 CO 0.00 -0.88 1.47 -0.08 -0.54 0.00 0.00 175.26 175.23 1mpe s THR 16 N 2.28 2.52 0.04 -1.70 -1.32 -1.26 -4.92 115.64 111.28 1mpe s THR 16 Ca 0.16 0.45 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 1mpe s THR 16 Cb -0.04 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 1mpe s THR 16 CO -0.16 0.07 0.00 0.41 -2.21 0.00 0.00 174.62 172.74 1mpe n THR 17 N 2.18 0.49 -3.71 5.08 -1.04 -1.26 -5.05 114.28 110.97 1mpe n THR 17 Ca 0.07 0.16 -0.37 0.00 -2.04 0.00 0.00 64.05 61.87 1mpe n THR 17 Cb 0.40 -1.52 -0.06 0.00 -1.82 0.00 0.00 70.33 67.32 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 5.33 -0.26 12.58 -4.23 -1.26 -5.07 115.64 120.73 1mpe s THR 18 Ca 0.00 0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 1mpe s THR 18 Cb 0.00 -3.53 0.08 0.00 1.34 0.00 0.00 72.50 70.39 1mpe s THR 18 CO 0.00 0.55 0.04 -1.83 -0.54 0.00 0.00 174.62 172.84 1mpe s GLU 19 N -0.67 1.00 0.10 3.99 1.03 -1.26 -4.91 118.70 117.98 1mpe s GLU 19 Ca 0.17 -0.94 0.00 0.00 0.03 0.00 0.00 54.97 54.23 1mpe s GLU 19 Cb -0.13 -2.28 0.00 0.00 -0.80 0.00 0.00 34.13 30.92 1mpe s GLU 19 CO 0.06 -0.79 0.00 0.00 -1.33 0.00 0.00 175.26 173.20 1mpe n ALA 20 N 4.81 0.00 -1.22 -0.84 0.00 -1.26 -4.99 120.51 117.00 1mpe n ALA 20 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 1mpe n ALA 20 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.52 4.01 -4.01 0.00 0.31 -1.26 -4.72 118.33 110.14 1mpe n VAL 21 Ca 0.00 -2.37 -0.33 0.00 -0.01 0.00 0.00 64.34 61.63 1mpe n VAL 21 Cb 0.00 -2.52 -0.06 0.00 -0.91 0.00 0.00 33.84 30.35 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 2.29 5.95 0.26 4.52 2.15 -1.26 -1.43 116.67 129.15 1mpe s ASP 22 Ca 0.66 0.21 -0.01 0.00 0.43 0.00 0.00 52.55 53.84 1mpe s ASP 22 Cb 0.18 -1.76 0.55 0.00 -0.30 0.00 0.00 42.92 41.59 1mpe s ASP 22 CO -0.05 0.25 1.74 0.00 -0.17 0.00 0.00 175.17 176.94 1mpe h ALA 23 N 3.84 1.24 -0.01 3.66 0.00 -1.91 0.17 119.26 126.26 1mpe h ALA 23 Ca -0.48 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1mpe h ALA 23 Cb 1.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1mpe h ALA 23 CO 0.66 -0.18 -0.46 0.00 0.00 0.00 0.00 179.25 179.27 1mpe h ALA 24 N 1.59 1.22 -0.71 0.00 0.00 -1.96 -2.93 119.26 116.47 1mpe h ALA 24 Ca 0.47 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1mpe h ALA 24 Cb 0.73 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1mpe h ALA 24 CO -0.41 0.58 0.36 1.15 0.00 0.00 0.00 179.25 180.93 1mpe h THR 25 N 0.02 1.22 -0.06 0.00 2.02 -0.96 -1.98 112.91 113.16 1mpe h THR 25 Ca -0.00 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1mpe h THR 25 Cb 0.82 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1mpe h THR 25 CO 0.06 0.25 -0.03 0.15 0.37 0.00 0.00 175.52 176.32 1mpe h PHE 26 N 1.00 0.15 -0.02 3.16 3.57 -1.29 -1.89 116.94 121.61 1mpe h PHE 26 Ca 0.25 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1mpe h PHE 26 Cb 0.06 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1mpe h PHE 26 CO 0.01 0.51 -0.23 0.93 -2.23 0.00 0.00 178.31 177.29 1mpe h GLU 27 N -0.25 -0.34 -0.13 1.11 5.08 -1.38 0.14 114.58 118.81 1mpe h GLU 27 Ca 0.01 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1mpe h GLU 27 Cb 0.47 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1mpe h GLU 27 CO 0.01 -0.23 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.53 1mpe h LYS 28 N -0.35 0.25 -0.67 2.33 3.64 -1.44 -1.80 116.57 118.53 1mpe h LYS 28 Ca 0.07 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1mpe h LYS 28 Cb 0.45 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1mpe h LYS 28 CO -0.23 0.56 0.28 0.28 -2.27 0.00 0.00 179.45 178.07 1mpe h VAL 29 N -0.07 1.24 -0.17 2.00 2.07 -1.27 -0.78 116.25 119.26 1mpe h VAL 29 Ca 0.03 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1mpe h VAL 29 Cb 0.48 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1mpe h VAL 29 CO 0.01 0.29 -0.16 0.58 0.02 0.00 0.00 177.57 178.31 1mpe h VAL 30 N 0.94 1.34 -0.39 2.57 2.07 -0.76 -0.30 116.25 121.72 1mpe h VAL 30 Ca 0.22 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1mpe h VAL 30 Cb 0.19 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1mpe h VAL 30 CO -0.02 0.39 0.15 0.50 0.02 0.00 0.00 177.57 178.62 1mpe h LYS 31 N 0.06 0.58 -0.36 1.57 3.64 -1.28 0.26 116.57 121.03 1mpe h LYS 31 Ca 0.03 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1mpe h LYS 31 Cb 0.70 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1mpe h LYS 31 CO 0.04 0.56 0.14 0.37 -2.27 0.00 0.00 179.45 178.28 1mpe h GLN 32 N 0.48 0.55 -0.16 1.90 5.75 -1.16 0.40 115.11 122.87 1mpe h GLN 32 Ca 0.13 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1mpe h GLN 32 Cb 0.19 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1mpe h GLN 32 CO -0.01 0.54 -0.03 0.35 -2.65 0.00 0.00 178.83 177.04 1mpe h PHE 33 N 0.44 0.34 -0.02 3.99 3.57 -0.90 -3.21 116.94 121.15 1mpe h PHE 33 Ca 0.12 -0.07 -0.18 0.00 3.53 0.00 0.00 57.97 61.37 1mpe h PHE 33 Cb 0.21 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1mpe h PHE 33 CO 0.00 0.56 -0.80 0.74 -2.23 0.00 0.00 178.31 176.59 1mpe h PHE 34 N 0.02 0.31 -0.39 0.41 -1.00 -0.47 -3.16 116.94 112.67 1mpe h PHE 34 Ca 0.04 -0.15 0.10 0.00 2.81 0.00 0.00 57.97 60.77 1mpe h PHE 34 Cb 0.44 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1mpe h PHE 34 CO 0.05 0.92 0.27 -0.91 -1.61 0.00 0.00 178.31 177.03 1mpe h ASN 35 N 0.13 0.05 0.12 2.17 -0.26 -0.23 0.09 115.58 117.65 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 1.39 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.64 1mpe h ASN 35 CO 0.12 0.03 0.00 0.44 -1.06 0.00 0.00 177.43 176.96 1mpe h ASP 36 N 0.06 0.00 0.00 5.81 3.32 -1.55 -2.48 116.42 121.58 1mpe h ASP 36 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1mpe h ASP 36 Cb 0.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1mpe h ASP 36 CO -0.01 0.00 -1.62 -0.46 -1.72 0.00 0.00 179.24 175.43 1mpe n ASN 37 N -2.68 1.94 0.00 6.45 0.23 -0.00 -5.00 115.26 116.20 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 0.08 1.57 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 1.77 0.38 3.83 4.83 0.00 -0.93 -5.14 105.19 109.93 1mpe n GLY 38 Ca -0.03 0.00 -0.36 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 -0.82 4.81 0.31 1.61 1.01 -1.09 -4.99 120.40 121.24 1mpe s VAL 39 Ca 0.00 0.96 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 1mpe s VAL 39 Cb 0.00 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1mpe s VAL 39 CO 0.00 0.33 0.52 0.47 0.00 0.00 0.00 175.10 176.42 1mpe n ASP 40 N 1.05 -1.49 0.00 3.32 9.92 -1.26 -3.99 116.55 124.10 1mpe n ASP 40 Ca -0.07 -2.49 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 1mpe n ASP 40 Cb 0.51 2.61 0.00 0.00 -0.64 0.00 0.00 41.12 43.61 1mpe n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mpe n GLY 41 N -0.47 0.20 3.26 0.44 0.00 -1.26 -5.07 105.19 102.29 1mpe n GLY 41 Ca -0.03 -1.93 -0.10 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 0.90 -0.14 1.61 8.01 -1.26 -5.13 118.70 122.70 1mpe s GLU 42 Ca 0.00 -0.69 -0.29 0.00 0.01 0.00 0.00 54.97 54.00 1mpe s GLU 42 Cb 0.00 0.39 -0.03 0.00 -4.31 0.00 0.00 34.13 30.18 1mpe s GLU 42 CO 0.00 -0.31 1.38 -1.58 0.01 0.00 0.00 175.26 174.75 1mpe s TRP 43 N -3.30 2.59 -0.05 1.61 0.52 -1.26 -5.01 118.94 114.05 1mpe s TRP 43 Ca 0.00 0.77 0.03 0.00 0.02 0.00 0.00 56.10 56.93 1mpe s TRP 43 Cb 0.02 -3.63 -0.03 0.00 -1.15 0.00 0.00 33.47 28.68 1mpe s TRP 43 CO -0.08 -2.32 -0.13 0.95 0.02 0.00 0.00 176.95 175.39 1mpe s THR 44 N 3.68 3.14 0.36 2.01 -4.23 -1.26 -5.11 115.64 114.23 1mpe s THR 44 Ca 0.60 -0.69 -0.27 0.00 -1.18 0.00 0.00 61.69 60.15 1mpe s THR 44 Cb -0.25 -2.23 -0.09 0.00 1.34 0.00 0.00 72.50 71.27 1mpe s THR 44 CO 0.19 0.59 1.17 -0.31 -0.54 0.00 0.00 174.62 175.72 1mpe s TYR 45 N -0.74 3.19 0.74 3.99 2.02 -1.26 -5.02 117.35 120.27 1mpe s TYR 45 Ca 0.12 1.57 -0.11 0.00 -0.37 0.00 0.00 57.07 58.28 1mpe s TYR 45 Cb -0.11 -3.40 0.04 0.00 -0.40 0.00 0.00 41.96 38.09 1mpe s TYR 45 CO 0.01 -1.20 1.08 -0.51 -1.57 0.00 0.00 175.55 173.36 1mpe s ASP 46 N -0.99 4.90 0.19 2.29 1.11 -1.26 -4.97 116.67 117.94 1mpe s ASP 46 Ca 0.53 1.69 -0.31 0.00 0.18 0.00 0.00 52.55 54.64 1mpe s ASP 46 Cb -0.32 -2.48 -0.10 0.00 1.07 0.00 0.00 42.92 41.10 1mpe s ASP 46 CO 0.41 -1.76 1.46 -0.62 1.18 0.00 0.00 175.17 175.84 1mpe s ASP 47 N -3.61 6.68 0.33 0.27 2.15 -1.26 -4.93 116.67 116.30 1mpe s ASP 47 Ca 0.60 2.56 -0.28 0.00 0.43 0.00 0.00 52.55 55.86 1mpe s ASP 47 Cb -0.15 -2.60 -0.13 0.00 -0.30 0.00 0.00 42.92 39.73 1mpe s ASP 47 CO 0.55 -0.72 1.23 0.00 -0.17 0.00 0.00 175.17 176.07 1mpe n ALA 48 N 3.25 0.95 -2.42 3.66 0.00 -1.26 -5.01 120.51 119.67 1mpe n ALA 48 Ca 0.10 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.76 1mpe n ALA 48 Cb 0.40 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.05 1.05 -0.13 0.00 2.01 -1.26 -5.15 115.64 111.11 1mpe s THR 49 Ca 0.57 -1.77 0.01 0.00 0.31 0.00 0.00 61.69 60.81 1mpe s THR 49 Cb -0.60 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.41 1mpe s THR 49 CO 0.61 -0.59 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.26 1mpe s LYS 50 N -3.04 2.33 -0.17 4.92 1.02 -1.26 -5.12 119.74 118.42 1mpe s LYS 50 Ca 0.09 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 1mpe s LYS 50 Cb -0.02 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 1mpe s LYS 50 CO 0.00 -0.15 -0.04 0.99 -0.92 0.00 0.00 175.35 175.24 1mpe s THR 51 N 1.23 3.82 -0.39 2.17 2.01 -1.26 -5.08 115.64 118.14 1mpe s THR 51 Ca -0.01 -0.38 -0.27 0.00 0.31 0.00 0.00 61.69 61.34 1mpe s THR 51 Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1mpe s THR 51 CO -0.06 0.48 1.02 0.12 -0.69 0.00 0.00 174.62 175.48 1mpe s PHE 52 N 0.55 3.02 -0.19 4.92 5.36 -1.26 -5.02 117.98 125.36 1mpe s PHE 52 Ca -0.03 0.84 -0.18 0.00 -0.96 0.00 0.00 56.93 56.60 1mpe s PHE 52 Cb -0.14 -3.88 -0.03 0.00 -0.34 0.00 0.00 43.02 38.63 1mpe s PHE 52 CO 0.03 -0.94 0.52 0.99 -1.46 0.00 0.00 175.22 174.35 1mpe s THR 53 N 3.78 5.11 0.68 0.12 2.01 -1.26 -5.06 115.64 121.02 1mpe s THR 53 Ca 0.42 0.95 -0.14 0.00 0.31 0.00 0.00 61.69 63.24 1mpe s THR 53 Cb -0.11 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.57 1mpe s THR 53 CO 0.22 0.19 1.09 -0.69 -0.69 0.00 0.00 174.62 174.73 1mpe s VAL 54 N 1.57 3.49 0.00 3.82 1.01 -1.26 -4.99 120.40 124.04 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 -0.50 0.00 0.41 0.00 0.00 0.00 175.10 175.10 1mpe n THR 55 N -2.68 0.00 0.00 3.92 -1.04 -1.26 -5.34 114.28 107.88 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 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1mpe n THR 55 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59