#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 4.22 -0.15 0.03 0.74 -1.26 -5.05 119.66 118.19 1mpe s GLN 2 Ca 0.00 0.71 -0.04 0.00 0.05 0.00 0.00 55.36 56.08 1mpe s GLN 2 Cb 0.00 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 1mpe s GLN 2 CO 0.00 -0.28 -0.03 0.71 -0.55 0.00 0.00 175.29 175.13 1mpe s TYR 3 N 2.04 3.03 -0.17 1.67 2.02 -1.26 -5.10 117.35 119.58 1mpe s TYR 3 Ca 0.31 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.68 1mpe s TYR 3 Cb -0.16 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1mpe s TYR 3 CO 0.10 -0.02 0.01 0.15 -1.57 0.00 0.00 175.55 174.23 1mpe s LYS 4 N 0.33 3.80 -0.06 -0.62 1.02 -1.26 -5.09 119.74 117.86 1mpe s LYS 4 Ca -0.04 -0.44 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1mpe s LYS 4 Cb -0.14 -3.07 0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1mpe s LYS 4 CO 0.03 0.22 0.11 0.08 -0.92 0.00 0.00 175.35 174.87 1mpe s VAL 5 N 0.46 -0.10 -0.23 3.17 1.01 -1.26 -5.14 120.40 118.33 1mpe s VAL 5 Ca -0.00 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 1mpe s VAL 5 Cb -0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1mpe s VAL 5 CO 0.02 0.10 0.37 -0.63 0.00 0.00 0.00 175.10 174.96 1mpe s ILE 6 N 1.44 5.20 -0.17 2.22 1.01 -1.26 -5.06 121.20 124.59 1mpe s ILE 6 Ca -0.06 0.63 -0.02 0.00 0.00 0.00 0.00 60.65 61.20 1mpe s ILE 6 Cb -0.12 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.70 1mpe s ILE 6 CO -0.05 0.23 0.03 -0.76 0.00 0.00 0.00 174.94 174.38 1mpe s LEU 7 N 1.54 1.05 -0.27 2.97 1.02 -1.26 -5.05 118.68 118.68 1mpe s LEU 7 Ca 0.17 -0.65 -0.06 0.00 0.02 0.00 0.00 54.13 53.61 1mpe s LEU 7 Cb -0.15 -0.57 0.14 0.00 0.02 0.00 0.00 46.19 45.64 1mpe s LEU 7 CO 0.08 -0.28 0.56 0.21 0.02 0.00 0.00 176.35 176.94 1mpe s ASN 8 N 1.88 -0.89 -0.89 2.29 3.84 0.15 -4.06 114.94 117.26 1mpe s ASN 8 Ca 0.01 1.08 -0.25 0.00 0.21 0.00 0.00 52.86 53.90 1mpe s ASN 8 Cb -0.16 1.94 0.04 0.00 -0.55 0.00 0.00 41.25 42.52 1mpe s ASN 8 CO -0.07 -0.25 1.38 -0.83 -2.79 0.00 0.00 177.10 174.54 1mpe s GLY 9 N 2.79 1.07 -0.71 1.21 0.00 -0.49 -4.77 107.32 106.42 1mpe s GLY 9 Ca 0.06 -1.84 -0.17 0.00 0.00 0.00 0.00 44.72 42.77 1mpe s GLY 9 CO -0.18 2.68 0.75 1.25 0.00 0.00 0.00 173.10 177.61 1mpe s LYS 10 N 5.35 3.31 -0.10 2.90 2.20 -1.26 -4.99 119.74 127.14 1mpe s LYS 10 Ca 0.41 -1.84 -0.28 0.00 -0.36 0.00 0.00 55.97 53.91 1mpe s LYS 10 Cb -0.04 -4.43 0.06 0.00 -1.51 0.00 0.00 37.83 31.92 1mpe s LYS 10 CO 0.02 -1.46 0.65 -0.08 -0.36 0.00 0.00 175.35 174.12 1mpe s THR 11 N 1.65 0.00 -0.31 3.43 -1.32 -1.26 -5.06 115.64 112.77 1mpe s THR 11 Ca 0.15 -0.04 0.15 0.00 -1.21 0.00 0.00 61.69 60.74 1mpe s THR 11 Cb -0.18 -0.95 0.42 0.00 -1.51 0.00 0.00 72.50 70.28 1mpe s THR 11 CO -0.02 -0.02 1.43 0.00 -2.21 0.00 0.00 174.62 173.80 1mpe n LEU 12 N 1.43 -0.78 -3.77 9.08 -0.00 -1.26 -5.11 117.00 116.59 1mpe n LEU 12 Ca -0.18 -3.12 -0.13 0.00 -0.00 0.00 0.00 56.01 52.58 1mpe n LEU 12 Cb 0.56 0.17 -0.12 0.00 -0.00 0.00 0.00 43.42 44.04 1mpe n LEU 12 CO 0.19 1.55 -0.09 -0.75 -0.00 0.00 0.00 177.39 178.29 1mpe s LYS 13 N -0.72 0.28 0.00 1.47 2.20 -1.26 -5.13 119.74 116.58 1mpe s LYS 13 Ca 0.13 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 1mpe s LYS 13 Cb 0.41 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 1mpe s LYS 13 CO -0.11 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1mpe n GLY 14 N 3.26 0.32 3.37 5.54 0.00 -1.26 -4.88 105.19 111.54 1mpe n GLY 14 Ca -0.16 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.11 2.14 -1.24 1.61 2.02 -1.26 -4.71 118.70 116.14 1mpe s GLU 15 Ca 0.00 -0.92 -0.13 0.00 0.02 0.00 0.00 54.97 53.94 1mpe s GLU 15 Cb 0.00 -2.12 0.13 0.00 0.10 0.00 0.00 34.13 32.24 1mpe s GLU 15 CO 0.00 0.56 0.44 -2.37 0.02 0.00 0.00 175.26 173.91 1mpe n THR 16 N 2.21 -0.38 0.13 3.63 5.66 -1.26 -4.86 114.28 119.41 1mpe n THR 16 Ca -0.16 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.79 1mpe n THR 16 Cb 0.52 -0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 68.39 1mpe n THR 16 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1mpe h THR 17 N -0.74 0.00 -0.72 1.09 2.02 -1.90 -3.48 112.91 109.18 1mpe h THR 17 Ca -0.40 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 66.76 1mpe h THR 17 Cb 1.27 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1mpe h THR 17 CO 0.56 0.00 -0.05 1.07 0.37 0.00 0.00 175.52 177.47 1mpe n THR 18 N -3.01 0.00 -2.69 3.16 5.66 -1.26 -4.97 114.28 111.17 1mpe n THR 18 Ca -0.04 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1mpe n THR 18 Cb 0.13 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 1mpe n THR 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mpe n GLU 19 N -0.93 -3.37 -2.69 1.09 1.02 -1.26 -5.04 120.64 109.47 1mpe n GLU 19 Ca 0.00 2.71 -0.05 0.00 -0.02 0.00 0.00 57.16 59.80 1mpe n GLU 19 Cb 0.06 -5.30 0.09 0.00 -0.02 0.00 0.00 31.44 26.27 1mpe n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mpe n ALA 20 N 0.63 -2.59 -3.29 0.62 0.00 -1.26 -5.06 120.51 109.56 1mpe n ALA 20 Ca 0.01 -0.69 -0.20 0.00 0.00 0.00 0.00 53.44 52.56 1mpe n ALA 20 Cb 0.03 -2.57 0.02 0.00 0.00 0.00 0.00 19.45 16.92 1mpe n ALA 20 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1mpe n VAL 21 N 0.82 -4.27 -3.97 0.00 0.24 -1.26 -2.43 118.33 107.46 1mpe n VAL 21 Ca -0.00 0.41 -0.34 0.00 -2.04 0.00 0.00 64.34 62.37 1mpe n VAL 21 Cb 0.72 -3.85 -0.06 0.00 -1.47 0.00 0.00 33.84 29.19 1mpe n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mpe s ASP 22 N -1.39 6.15 0.27 -1.34 2.15 -1.26 0.34 116.67 121.59 1mpe s ASP 22 Ca 0.21 0.31 -0.00 0.00 0.43 0.00 0.00 52.55 53.49 1mpe s ASP 22 Cb -0.02 -1.90 0.57 0.00 -0.30 0.00 0.00 42.92 41.27 1mpe s ASP 22 CO 0.53 0.30 1.73 0.00 -0.17 0.00 0.00 175.17 177.57 1mpe h ALA 23 N 4.15 1.27 0.00 3.66 0.00 -1.94 0.24 119.26 126.65 1mpe h ALA 23 Ca -0.50 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1mpe h ALA 23 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1mpe h ALA 23 CO 0.65 -0.19 -0.34 0.00 0.00 0.00 0.00 179.25 179.36 1mpe h ALA 24 N 1.60 1.32 -0.72 0.00 0.00 -1.94 -2.85 119.26 116.67 1mpe h ALA 24 Ca 0.48 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1mpe h ALA 24 Cb 0.77 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1mpe h ALA 24 CO -0.42 0.42 0.32 1.15 0.00 0.00 0.00 179.25 180.71 1mpe h THR 25 N 0.00 1.24 -0.21 0.00 2.02 -0.92 -2.02 112.91 113.01 1mpe h THR 25 Ca -0.00 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.40 1mpe h THR 25 Cb 0.64 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1mpe h THR 25 CO 0.04 0.29 -0.14 0.15 0.37 0.00 0.00 175.52 176.24 1mpe h PHE 26 N 1.03 0.54 0.27 3.16 3.57 -1.27 -2.13 116.94 122.11 1mpe h PHE 26 Ca 0.25 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1mpe h PHE 26 Cb 0.15 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1mpe h PHE 26 CO 0.01 0.77 -0.30 1.49 -2.23 0.00 0.00 178.31 178.05 1mpe h GLU 27 N 0.16 -0.59 -0.08 1.11 4.81 -1.37 0.51 114.58 119.13 1mpe h GLU 27 Ca 0.04 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1mpe h GLU 27 Cb 0.65 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1mpe h GLU 27 CO 0.04 -0.39 -0.01 -0.22 -0.73 0.00 0.00 179.01 177.69 1mpe h LYS 28 N -0.61 0.15 -0.60 1.92 3.64 -1.45 -1.69 116.57 117.93 1mpe h LYS 28 Ca -0.01 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1mpe h LYS 28 Cb 0.58 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1mpe h LYS 28 CO -0.08 0.46 0.24 0.28 -2.27 0.00 0.00 179.45 178.08 1mpe h VAL 29 N -0.17 1.23 -0.14 2.00 2.07 -1.39 -1.17 116.25 118.68 1mpe h VAL 29 Ca 0.02 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1mpe h VAL 29 Cb 0.40 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1mpe h VAL 29 CO 0.01 0.28 -0.21 0.58 0.02 0.00 0.00 177.57 178.25 1mpe h VAL 30 N 0.84 1.36 -0.34 2.57 2.07 -0.94 -0.84 116.25 120.97 1mpe h VAL 30 Ca 0.20 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1mpe h VAL 30 Cb 0.21 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1mpe h VAL 30 CO -0.02 0.42 0.12 0.50 0.02 0.00 0.00 177.57 178.62 1mpe h LYS 31 N -0.00 0.51 -0.36 1.57 3.64 -1.30 0.29 116.57 120.91 1mpe h LYS 31 Ca 0.01 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1mpe h LYS 31 Cb 0.78 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1mpe h LYS 31 CO 0.05 0.52 0.15 0.37 -2.27 0.00 0.00 179.45 178.27 1mpe h GLN 32 N 0.39 0.54 -0.19 1.90 5.75 -1.26 0.65 115.11 122.90 1mpe h GLN 32 Ca 0.11 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1mpe h GLN 32 Cb 0.21 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1mpe h GLN 32 CO -0.01 0.52 -0.06 0.35 -2.65 0.00 0.00 178.83 176.99 1mpe h PHE 33 N 0.44 0.42 -0.00 3.99 3.57 -1.02 -3.23 116.94 121.10 1mpe h PHE 33 Ca 0.12 -0.09 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 1mpe h PHE 33 Cb 0.18 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1mpe h PHE 33 CO -0.00 0.64 -0.91 0.74 -2.23 0.00 0.00 178.31 176.54 1mpe h PHE 34 N 0.08 0.51 -0.67 0.41 -1.00 -0.40 -3.22 116.94 112.65 1mpe h PHE 34 Ca 0.05 -0.27 0.16 0.00 2.81 0.00 0.00 57.97 60.71 1mpe h PHE 34 Cb 0.51 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 1mpe h PHE 34 CO 0.05 1.09 0.46 -0.91 -1.61 0.00 0.00 178.31 177.40 1mpe h ASN 35 N 0.19 0.19 0.14 2.17 -0.26 0.27 0.19 115.58 118.47 1mpe h ASN 35 Ca -0.07 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1mpe h ASN 35 Cb 1.54 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.78 1mpe h ASN 35 CO 0.15 0.10 0.00 0.44 -1.06 0.00 0.00 177.43 177.06 1mpe h ASP 36 N 0.20 0.00 0.00 5.81 3.32 -1.57 -2.42 116.42 121.76 1mpe h ASP 36 Ca 0.33 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1mpe h ASP 36 Cb 1.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1mpe h ASP 36 CO -0.06 0.00 -1.75 -0.46 -1.72 0.00 0.00 179.24 175.25 1mpe n ASN 37 N -2.72 1.44 0.00 6.45 0.23 0.63 -5.00 115.26 116.29 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 1.59 0.00 0.00 -2.08 0.00 0.00 39.78 39.38 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 1.69 0.33 3.83 4.83 0.00 -0.91 -5.14 105.19 109.82 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 -0.85 4.80 0.29 1.61 1.01 -1.12 -4.99 120.40 121.15 1mpe s VAL 39 Ca 0.00 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1mpe s VAL 39 Cb 0.00 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1mpe s VAL 39 CO 0.00 0.34 0.56 0.47 0.00 0.00 0.00 175.10 176.47 1mpe n ASP 40 N 1.09 -1.63 0.00 3.32 8.00 -1.26 -3.97 116.55 122.10 1mpe n ASP 40 Ca -0.07 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.21 1mpe n ASP 40 Cb 0.51 2.74 0.00 0.00 -0.02 0.00 0.00 41.12 44.35 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 -0.40 0.18 3.20 0.44 0.00 -1.26 -5.07 105.19 102.27 1mpe n GLY 41 Ca -0.06 -1.94 -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 0.72 -0.19 1.61 0.41 -1.26 -5.12 118.70 114.86 1mpe s GLU 42 Ca 0.00 -0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 53.68 1mpe s GLU 42 Cb 0.00 0.30 -0.02 0.00 -1.78 0.00 0.00 34.13 32.63 1mpe s GLU 42 CO 0.00 -0.21 1.39 -1.58 -0.49 0.00 0.00 175.26 174.37 1mpe s TRP 43 N -2.53 2.55 -0.04 1.61 0.52 -1.26 -5.01 118.94 114.78 1mpe s TRP 43 Ca -0.05 0.77 0.02 0.00 0.02 0.00 0.00 56.10 56.86 1mpe s TRP 43 Cb -0.01 -3.74 -0.03 0.00 -1.15 0.00 0.00 33.47 28.53 1mpe s TRP 43 CO -0.04 -2.24 -0.07 0.95 0.02 0.00 0.00 176.95 175.57 1mpe s THR 44 N 4.08 3.68 0.38 2.01 -4.23 -1.26 -5.10 115.64 115.21 1mpe s THR 44 Ca 0.61 -0.60 -0.26 0.00 -1.18 0.00 0.00 61.69 60.26 1mpe s THR 44 Cb -0.23 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 1mpe s THR 44 CO 0.21 0.52 1.19 -0.31 -0.54 0.00 0.00 174.62 175.69 1mpe s TYR 45 N -0.88 3.09 0.75 3.99 2.02 -1.26 -5.01 117.35 120.05 1mpe s TYR 45 Ca 0.14 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.28 1mpe s TYR 45 Cb -0.11 -3.43 0.04 0.00 -0.40 0.00 0.00 41.96 38.06 1mpe s TYR 45 CO 0.04 -1.37 1.08 -0.51 -1.57 0.00 0.00 175.55 173.22 1mpe s ASP 46 N -1.02 4.73 0.07 2.29 1.11 -1.26 -4.96 116.67 117.64 1mpe s ASP 46 Ca 0.55 1.74 -0.31 0.00 0.18 0.00 0.00 52.55 54.71 1mpe s ASP 46 Cb -0.32 -2.49 -0.08 0.00 1.07 0.00 0.00 42.92 41.10 1mpe s ASP 46 CO 0.41 -1.88 1.57 1.51 1.18 0.00 0.00 175.17 177.96 1mpe s ASP 47 N -3.53 6.67 0.48 0.27 -4.77 -1.26 -4.95 116.67 109.59 1mpe s ASP 47 Ca 0.60 2.40 -0.23 0.00 -3.30 0.00 0.00 52.55 52.03 1mpe s ASP 47 Cb -0.16 -2.57 -0.08 0.00 -1.09 0.00 0.00 42.92 39.02 1mpe s ASP 47 CO 0.56 -0.82 1.17 0.00 0.70 0.00 0.00 175.17 176.78 1mpe n ALA 48 N 5.22 0.91 -2.41 2.11 0.00 -1.26 -5.03 120.51 120.05 1mpe n ALA 48 Ca 0.15 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.69 1mpe n ALA 48 Cb 0.41 -2.21 -0.10 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 -1.29 0.18 -0.16 0.00 2.01 -1.26 -5.15 115.64 109.97 1mpe s THR 49 Ca 0.66 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1mpe s THR 49 Cb -0.48 -1.06 0.03 0.00 0.01 0.00 0.00 72.50 70.99 1mpe s THR 49 CO 0.54 -0.82 -0.13 -0.54 -0.69 0.00 0.00 174.62 172.98 1mpe s LYS 50 N -3.03 2.23 -0.16 4.92 1.02 -1.26 -5.12 119.74 118.35 1mpe s LYS 50 Ca -0.01 -0.60 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 1mpe s LYS 50 Cb 0.01 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1mpe s LYS 50 CO -0.07 -0.27 0.06 0.99 -0.92 0.00 0.00 175.35 175.14 1mpe s THR 51 N 1.48 4.75 -0.36 2.17 2.01 -1.26 -5.07 115.64 119.36 1mpe s THR 51 Ca 0.04 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.70 1mpe s THR 51 Cb -0.13 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.29 1mpe s THR 51 CO -0.10 0.50 1.04 0.12 -0.69 0.00 0.00 174.62 175.49 1mpe s PHE 52 N 0.02 3.07 -0.19 4.92 5.36 -1.26 -5.01 117.98 124.89 1mpe s PHE 52 Ca 0.05 0.98 -0.23 0.00 -0.96 0.00 0.00 56.93 56.78 1mpe s PHE 52 Cb -0.12 -3.80 -0.02 0.00 -0.34 0.00 0.00 43.02 38.74 1mpe s PHE 52 CO 0.01 -0.87 0.73 0.99 -1.46 0.00 0.00 175.22 174.62 1mpe s THR 53 N 3.72 4.95 0.66 0.12 2.01 -1.26 -5.04 115.64 120.80 1mpe s THR 53 Ca 0.43 1.40 -0.14 0.00 0.31 0.00 0.00 61.69 63.69 1mpe s THR 53 Cb -0.11 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 1mpe s THR 53 CO 0.19 0.06 1.09 -0.69 -0.69 0.00 0.00 174.62 174.58 1mpe s VAL 54 N 2.10 3.44 0.01 3.82 1.01 -1.26 -4.96 120.40 124.57 1mpe s VAL 54 Ca 0.33 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1mpe s VAL 54 Cb -0.16 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1mpe s VAL 54 CO 0.11 -0.45 0.00 0.41 0.00 0.00 0.00 175.10 175.17 1mpe n THR 55 N -2.50 0.00 -0.51 3.92 -1.04 -1.26 -5.34 114.28 107.55 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 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81