#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 4.27 -0.19 2.12 0.74 -1.26 -5.05 119.66 120.29 1mpe s GLN 2 Ca 0.00 0.78 -0.05 0.00 0.05 0.00 0.00 55.36 56.14 1mpe s GLN 2 Cb 0.00 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.53 1mpe s GLN 2 CO 0.00 -0.23 -0.01 0.71 -0.55 0.00 0.00 175.29 175.21 1mpe s TYR 3 N 1.83 3.03 -0.24 1.67 2.02 -1.26 -5.09 117.35 119.31 1mpe s TYR 3 Ca 0.33 -0.45 -0.07 0.00 -0.37 0.00 0.00 57.07 56.51 1mpe s TYR 3 Cb -0.16 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 1mpe s TYR 3 CO 0.12 -0.20 0.06 0.15 -1.57 0.00 0.00 175.55 174.10 1mpe s LYS 4 N 0.85 3.65 -0.04 -0.62 1.02 -1.26 -5.08 119.74 118.26 1mpe s LYS 4 Ca 0.00 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.50 1mpe s LYS 4 Cb -0.14 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1mpe s LYS 4 CO 0.02 -0.15 0.07 0.08 -0.92 0.00 0.00 175.35 174.45 1mpe s VAL 5 N 1.48 -0.06 -0.31 3.17 1.01 -1.26 -5.13 120.40 119.30 1mpe s VAL 5 Ca 0.06 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1mpe s VAL 5 Cb -0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1mpe s VAL 5 CO 0.03 0.09 0.53 -0.63 0.00 0.00 0.00 175.10 175.12 1mpe s ILE 6 N 1.18 5.02 -0.17 2.22 1.01 -1.26 -5.04 121.20 124.16 1mpe s ILE 6 Ca -0.08 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 61.16 1mpe s ILE 6 Cb -0.12 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.48 1mpe s ILE 6 CO -0.04 -0.10 0.03 -0.22 0.00 0.00 0.00 174.94 174.61 1mpe s LEU 7 N 2.40 1.11 0.00 2.97 2.96 -1.26 -4.93 118.68 121.93 1mpe s LEU 7 Ca 0.21 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1mpe s LEU 7 Cb -0.15 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 45.95 1mpe s LEU 7 CO 0.12 -0.28 0.00 -0.46 -1.32 0.00 0.00 176.35 174.41 1mpe n ASN 8 N 5.06 0.00 -0.26 3.68 6.94 -0.91 -3.80 115.26 125.97 1mpe n ASN 8 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 1mpe n ASN 8 Cb 0.48 0.32 0.00 0.00 -2.36 0.00 0.00 39.78 38.22 1mpe n ASN 8 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mpe n GLY 9 N -0.69 0.54 3.73 4.83 0.00 -1.04 -4.39 105.19 108.17 1mpe n GLY 9 Ca 0.00 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1mpe n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mpe s LYS 10 N -1.57 4.25 0.22 1.61 2.20 -1.26 -5.06 119.74 120.14 1mpe s LYS 10 Ca 0.00 0.06 0.08 0.00 -0.36 0.00 0.00 55.97 55.74 1mpe s LYS 10 Cb 0.00 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1mpe s LYS 10 CO 0.00 0.24 0.06 -0.08 -0.36 0.00 0.00 175.35 175.21 1mpe s THR 11 N 0.47 3.89 -0.13 3.43 -1.32 -1.26 -5.04 115.64 115.68 1mpe s THR 11 Ca 0.15 -1.55 0.23 0.00 -1.21 0.00 0.00 61.69 59.31 1mpe s THR 11 Cb -0.13 -3.04 0.46 0.00 -1.51 0.00 0.00 72.50 68.28 1mpe s THR 11 CO 0.03 -0.26 1.15 0.18 -2.21 0.00 0.00 174.62 173.51 1mpe n LEU 12 N -0.69 1.59 -1.82 9.08 4.77 -1.26 -5.10 117.00 123.58 1mpe n LEU 12 Ca -0.08 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.21 1mpe n LEU 12 Cb 0.57 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1mpe n LEU 12 CO 0.41 0.86 -0.42 0.29 -1.33 0.00 0.00 177.39 177.20 1mpe n LYS 13 N -0.10 -4.85 -1.04 3.23 5.02 -1.26 -5.06 118.16 114.09 1mpe n LYS 13 Ca 0.10 3.50 0.00 0.00 -2.02 0.00 0.00 58.31 59.88 1mpe n LYS 13 Cb 0.98 -3.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.25 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 1.33 0.56 3.67 0.72 0.00 -1.26 -5.08 105.19 105.14 1mpe n GLY 14 Ca 0.00 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.00 4.23 -0.13 1.61 2.02 -1.26 -4.92 118.70 118.24 1mpe s GLU 15 Ca 0.00 2.00 -0.27 0.00 0.02 0.00 0.00 54.97 56.72 1mpe s GLU 15 Cb 0.00 -3.77 -0.26 0.00 0.10 0.00 0.00 34.13 30.20 1mpe s GLU 15 CO 0.00 -0.71 0.71 1.15 0.02 0.00 0.00 175.26 176.42 1mpe h THR 16 N 5.29 1.61 0.00 3.63 2.02 -2.05 -3.47 112.91 119.95 1mpe h THR 16 Ca -0.36 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.46 1mpe h THR 16 Cb 1.16 3.19 0.00 0.00 -1.74 0.00 0.00 68.15 70.76 1mpe h THR 16 CO 0.94 0.59 0.00 0.41 0.37 0.00 0.00 175.52 177.83 1mpe n THR 17 N -4.49 0.00 -3.64 3.16 -1.04 -1.26 -4.54 114.28 102.46 1mpe n THR 17 Ca -0.14 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.83 1mpe n THR 17 Cb 0.57 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.00 0.00 -0.20 12.58 -1.32 -1.26 -5.18 115.64 120.26 1mpe s THR 18 Ca 0.00 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 1mpe s THR 18 Cb 0.00 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.11 1mpe s THR 18 CO 0.00 0.00 0.99 -1.83 -2.21 0.00 0.00 174.62 171.57 1mpe s GLU 19 N 1.04 0.58 -0.25 7.08 -1.05 -1.26 -5.08 118.70 119.77 1mpe s GLU 19 Ca -0.06 0.34 0.08 0.00 -0.15 0.00 0.00 54.97 55.18 1mpe s GLU 19 Cb -0.04 0.28 0.26 0.00 -0.44 0.00 0.00 34.13 34.19 1mpe s GLU 19 CO -0.13 -0.14 1.18 0.00 0.95 0.00 0.00 175.26 177.12 1mpe n ALA 20 N 1.35 0.83 -3.07 -0.84 0.00 -1.26 -5.07 120.51 112.46 1mpe n ALA 20 Ca -0.12 -0.70 -0.45 0.00 0.00 0.00 0.00 53.44 52.18 1mpe n ALA 20 Cb 0.57 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 0.09 5.24 -0.07 0.00 -7.23 -1.26 -4.98 120.40 112.20 1mpe s VAL 21 Ca 0.08 -2.56 -0.04 0.00 -1.81 0.00 0.00 61.98 57.65 1mpe s VAL 21 Cb 0.28 -4.77 -0.04 0.00 0.56 0.00 0.00 36.38 32.42 1mpe s VAL 21 CO -0.08 -1.43 0.11 -0.62 -0.31 0.00 0.00 175.10 172.76 1mpe s ASP 22 N 2.60 5.99 0.26 4.85 -1.08 -1.26 -2.14 116.67 125.88 1mpe s ASP 22 Ca 0.35 0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 52.67 1mpe s ASP 22 Cb -0.06 -1.83 0.49 0.00 -1.46 0.00 0.00 42.92 40.06 1mpe s ASP 22 CO -0.05 0.35 1.79 0.00 0.52 0.00 0.00 175.17 177.77 1mpe h ALA 23 N 4.61 1.28 -0.13 3.66 0.00 -1.81 0.40 119.26 127.27 1mpe h ALA 23 Ca -0.52 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1mpe h ALA 23 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1mpe h ALA 23 CO 0.60 0.01 -0.25 0.00 0.00 0.00 0.00 179.25 179.61 1mpe h ALA 24 N 1.52 1.34 -0.52 0.00 0.00 -1.94 -2.54 119.26 117.12 1mpe h ALA 24 Ca 0.45 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1mpe h ALA 24 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1mpe h ALA 24 CO -0.31 0.46 0.17 1.15 0.00 0.00 0.00 179.25 180.71 1mpe h THR 25 N 0.21 1.20 -0.20 0.00 2.02 -1.31 -2.14 112.91 112.70 1mpe h THR 25 Ca 0.03 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1mpe h THR 25 Cb 0.56 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1mpe h THR 25 CO 0.04 0.26 0.04 0.15 0.37 0.00 0.00 175.52 176.38 1mpe h PHE 26 N 0.75 0.34 -0.10 3.16 3.57 -1.02 -1.24 116.94 122.40 1mpe h PHE 26 Ca 0.17 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1mpe h PHE 26 Cb 0.21 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1mpe h PHE 26 CO 0.01 0.44 0.02 0.93 -2.23 0.00 0.00 178.31 177.49 1mpe h GLU 27 N 0.13 0.06 -0.01 1.11 5.08 -1.34 0.33 114.58 119.94 1mpe h GLU 27 Ca 0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1mpe h GLU 27 Cb 0.28 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1mpe h GLU 27 CO 0.00 0.04 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.83 1mpe h LYS 28 N 0.06 0.01 -0.51 2.33 3.64 -1.39 -0.88 116.57 119.83 1mpe h LYS 28 Ca 0.04 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1mpe h LYS 28 Cb 0.03 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1mpe h LYS 28 CO -0.06 0.36 0.16 0.28 -2.27 0.00 0.00 179.45 177.93 1mpe h VAL 29 N -0.34 1.23 -0.17 2.00 2.07 -1.22 -0.69 116.25 119.13 1mpe h VAL 29 Ca 0.00 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1mpe h VAL 29 Cb 0.35 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1mpe h VAL 29 CO 0.00 0.28 -0.17 0.58 0.02 0.00 0.00 177.57 178.28 1mpe h VAL 30 N 0.69 1.34 -0.35 2.57 2.07 -0.98 -0.00 116.25 121.59 1mpe h VAL 30 Ca 0.17 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1mpe h VAL 30 Cb 0.27 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1mpe h VAL 30 CO -0.01 0.40 0.06 0.50 0.02 0.00 0.00 177.57 178.54 1mpe h LYS 31 N 0.07 0.58 -0.45 1.57 3.64 -1.16 0.00 116.57 120.84 1mpe h LYS 31 Ca 0.03 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1mpe h LYS 31 Cb 0.71 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1mpe h LYS 31 CO 0.04 0.65 0.10 0.37 -2.27 0.00 0.00 179.45 178.34 1mpe h GLN 32 N 0.42 0.72 -0.18 1.90 5.75 -1.15 0.25 115.11 122.83 1mpe h GLN 32 Ca 0.11 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 1mpe h GLN 32 Cb 0.35 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1mpe h GLN 32 CO 0.01 0.73 -0.04 0.35 -2.65 0.00 0.00 178.83 177.23 1mpe h PHE 33 N 0.59 0.38 0.03 3.99 3.57 -0.90 -3.28 116.94 121.33 1mpe h PHE 33 Ca 0.14 -0.08 -0.22 0.00 3.53 0.00 0.00 57.97 61.34 1mpe h PHE 33 Cb 0.34 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1mpe h PHE 33 CO 0.02 0.60 -1.00 0.74 -2.23 0.00 0.00 178.31 176.44 1mpe h PHE 34 N 0.06 0.21 -0.57 0.41 0.04 -1.00 -3.24 116.94 112.84 1mpe h PHE 34 Ca 0.05 -0.13 0.17 0.00 2.80 0.00 0.00 57.97 60.85 1mpe h PHE 34 Cb 0.47 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1mpe h PHE 34 CO 0.05 1.03 0.44 -0.91 -0.60 0.00 0.00 178.31 178.32 1mpe h ASN 35 N 0.05 0.00 0.13 2.17 -0.26 -0.55 0.24 115.58 117.37 1mpe h ASN 35 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1mpe h ASN 35 Cb 1.70 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.96 1mpe h ASN 35 CO 0.15 0.00 0.00 0.44 -1.06 0.00 0.00 177.43 176.96 1mpe h ASP 36 N 0.00 0.00 0.00 5.81 3.32 -1.61 -2.06 116.42 121.87 1mpe h ASP 36 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1mpe h ASP 36 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1mpe h ASP 36 CO -0.00 0.00 -1.72 -0.46 -1.72 0.00 0.00 179.24 175.33 1mpe n ASN 37 N -2.66 0.91 0.00 6.45 0.23 0.83 -4.99 115.26 116.03 1mpe n ASN 37 Ca -0.02 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 1mpe n ASN 37 Cb 0.08 1.74 0.00 0.00 -2.08 0.00 0.00 39.78 39.52 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 1.48 0.82 3.83 4.83 0.00 -0.78 -5.14 105.19 110.24 1mpe n GLY 38 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.15 4.77 0.34 1.61 1.01 -1.20 -5.00 120.40 120.78 1mpe s VAL 39 Ca 0.00 1.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.94 1mpe s VAL 39 Cb 0.00 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1mpe s VAL 39 CO 0.00 0.34 0.59 0.47 0.00 0.00 0.00 175.10 176.49 1mpe n ASP 40 N 1.09 -1.68 0.00 3.32 8.00 -1.26 -4.16 116.55 121.86 1mpe n ASP 40 Ca -0.06 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 52.85 1mpe n ASP 40 Cb 0.51 2.92 0.00 0.00 -0.02 0.00 0.00 41.12 44.53 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 -0.51 0.16 3.24 0.44 0.00 -1.26 -5.07 105.19 102.20 1mpe n GLY 41 Ca -0.04 -1.92 -0.11 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 0.84 -0.15 1.61 2.02 -1.26 -5.13 118.70 116.63 1mpe s GLU 42 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1mpe s GLU 42 Cb 0.00 0.36 -0.02 0.00 0.10 0.00 0.00 34.13 34.57 1mpe s GLU 42 CO 0.00 -0.28 1.37 -1.58 0.02 0.00 0.00 175.26 174.79 1mpe s TRP 43 N -3.03 2.60 -0.05 1.61 0.52 -1.26 -5.01 118.94 114.32 1mpe s TRP 43 Ca -0.02 0.79 0.03 0.00 0.02 0.00 0.00 56.10 56.92 1mpe s TRP 43 Cb 0.01 -3.65 -0.03 0.00 -1.15 0.00 0.00 33.47 28.65 1mpe s TRP 43 CO -0.06 -2.24 -0.11 0.95 0.02 0.00 0.00 176.95 175.50 1mpe s THR 44 N 3.78 3.31 0.44 2.01 -4.23 -1.26 -5.11 115.64 114.57 1mpe s THR 44 Ca 0.60 -0.64 -0.23 0.00 -1.18 0.00 0.00 61.69 60.23 1mpe s THR 44 Cb -0.24 -2.32 -0.08 0.00 1.34 0.00 0.00 72.50 71.20 1mpe s THR 44 CO 0.19 0.58 1.12 -0.31 -0.54 0.00 0.00 174.62 175.67 1mpe s TYR 45 N -0.77 3.03 0.65 3.99 2.02 -1.26 -5.01 117.35 119.99 1mpe s TYR 45 Ca 0.12 1.58 -0.14 0.00 -0.37 0.00 0.00 57.07 58.25 1mpe s TYR 45 Cb -0.11 -3.28 -0.01 0.00 -0.40 0.00 0.00 41.96 38.17 1mpe s TYR 45 CO 0.01 -1.16 1.09 -0.51 -1.57 0.00 0.00 175.55 173.41 1mpe s ASP 46 N -1.44 5.30 0.28 2.29 1.11 -1.26 -4.98 116.67 117.97 1mpe s ASP 46 Ca 0.61 1.89 -0.29 0.00 0.18 0.00 0.00 52.55 54.94 1mpe s ASP 46 Cb -0.26 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.09 1mpe s ASP 46 CO 0.32 -1.50 1.35 -1.81 1.18 0.00 0.00 175.17 174.71 1mpe s ASP 47 N -2.82 6.76 0.29 0.27 1.01 -1.26 -4.93 116.67 115.98 1mpe s ASP 47 Ca 0.65 2.62 -0.30 0.00 0.71 0.00 0.00 52.55 56.23 1mpe s ASP 47 Cb -0.18 -2.63 -0.13 0.00 1.01 0.00 0.00 42.92 40.99 1mpe s ASP 47 CO 0.42 -0.58 1.33 0.00 0.21 0.00 0.00 175.17 176.55 1mpe n ALA 48 N 1.68 1.11 -2.42 5.23 0.00 -1.26 -5.01 120.51 119.85 1mpe n ALA 48 Ca 0.03 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 1mpe n ALA 48 Cb 0.41 -2.25 -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 -0.57 1.04 0.07 0.00 2.01 -1.26 -5.16 115.64 111.77 1mpe s THR 49 Ca 0.62 -1.76 0.08 0.00 0.31 0.00 0.00 61.69 60.94 1mpe s THR 49 Cb -0.62 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1mpe s THR 49 CO 0.56 -0.59 -0.17 -0.75 -0.69 0.00 0.00 174.62 172.97 1mpe s LYS 50 N -3.03 1.98 -0.04 4.92 2.47 -1.26 -5.13 119.74 119.65 1mpe s LYS 50 Ca 0.09 -1.05 -0.02 0.00 -1.56 0.00 0.00 55.97 53.43 1mpe s LYS 50 Cb -0.02 -2.18 0.03 0.00 -1.46 0.00 0.00 37.83 34.21 1mpe s LYS 50 CO 0.00 0.52 0.08 0.99 0.16 0.00 0.00 175.35 177.10 1mpe s THR 51 N -1.03 -0.10 -0.30 3.43 2.01 -1.26 -5.12 115.64 113.27 1mpe s THR 51 Ca 0.16 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 62.19 1mpe s THR 51 Cb -0.11 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.26 1mpe s THR 51 CO 0.08 0.13 1.01 0.12 -0.69 0.00 0.00 174.62 175.26 1mpe s PHE 52 N 1.62 3.20 -0.22 4.92 5.36 -1.26 -5.02 117.98 126.58 1mpe s PHE 52 Ca -0.03 1.18 -0.18 0.00 -0.96 0.00 0.00 56.93 56.94 1mpe s PHE 52 Cb -0.12 -3.51 -0.03 0.00 -0.34 0.00 0.00 43.02 39.01 1mpe s PHE 52 CO -0.04 -0.67 0.49 0.99 -1.46 0.00 0.00 175.22 174.53 1mpe s THR 53 N 3.42 5.12 0.67 0.12 2.01 -1.26 -5.06 115.64 120.66 1mpe s THR 53 Ca 0.42 0.87 -0.14 0.00 0.31 0.00 0.00 61.69 63.15 1mpe s THR 53 Cb -0.13 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1mpe s THR 53 CO 0.13 0.17 1.10 -0.69 -0.69 0.00 0.00 174.62 174.64 1mpe s VAL 54 N 1.72 3.38 0.00 3.82 1.01 -1.26 -4.96 120.40 124.10 1mpe s VAL 54 Ca 0.22 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1mpe s VAL 54 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1mpe s VAL 54 CO 0.09 -0.43 0.00 0.41 0.00 0.00 0.00 175.10 175.17 1mpe n THR 55 N -2.56 0.00 0.96 3.92 -1.04 -1.26 -5.34 114.28 108.96 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 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.13 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81