#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 -0.18 0.03 0.74 -1.26 -5.06 119.66 118.20 1mpe s GLN 2 Ca 0.00 0.52 -0.04 0.00 0.05 0.00 0.00 55.36 55.88 1mpe s GLN 2 Cb 0.00 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.58 1mpe s GLN 2 CO 0.00 -0.04 -0.02 0.71 -0.55 0.00 0.00 175.29 175.39 1mpe s TYR 3 N 1.25 3.02 -0.23 1.67 2.02 -1.26 -5.09 117.35 118.72 1mpe s TYR 3 Ca 0.27 -0.46 -0.07 0.00 -0.37 0.00 0.00 57.07 56.44 1mpe s TYR 3 Cb -0.16 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1mpe s TYR 3 CO 0.11 -0.20 0.05 0.21 -1.57 0.00 0.00 175.55 174.15 1mpe s LYS 4 N 0.80 3.68 -0.05 -0.62 2.20 -1.26 -5.09 119.74 119.40 1mpe s LYS 4 Ca -0.01 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1mpe s LYS 4 Cb -0.14 -3.25 0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1mpe s LYS 4 CO 0.02 -0.09 0.10 0.08 -0.36 0.00 0.00 175.35 175.10 1mpe s VAL 5 N 1.33 -0.07 -0.27 4.02 1.01 -1.26 -5.13 120.40 120.04 1mpe s VAL 5 Ca 0.05 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1mpe s VAL 5 Cb -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1mpe s VAL 5 CO 0.03 0.09 0.50 -0.63 0.00 0.00 0.00 175.10 175.09 1mpe s ILE 6 N 1.27 5.07 -0.17 2.22 1.01 -1.26 -5.04 121.20 124.30 1mpe s ILE 6 Ca -0.08 0.83 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 1mpe s ILE 6 Cb -0.12 -3.82 0.05 0.00 0.01 0.00 0.00 42.46 38.58 1mpe s ILE 6 CO -0.05 0.08 0.02 -0.22 0.00 0.00 0.00 174.94 174.77 1mpe s LEU 7 N 2.30 1.09 0.31 2.97 2.96 -1.26 -4.95 118.68 122.10 1mpe s LEU 7 Ca 0.21 -0.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1mpe s LEU 7 Cb -0.16 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 45.94 1mpe s LEU 7 CO 0.09 -0.27 0.00 -3.20 -1.32 0.00 0.00 176.35 171.65 1mpe n ASN 8 N 5.06 -2.03 0.00 3.68 5.15 -0.34 -3.90 115.26 122.88 1mpe n ASN 8 Ca -0.09 0.58 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 1mpe n ASN 8 Cb 0.48 2.03 0.00 0.00 -0.53 0.00 0.00 39.78 41.75 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 -0.24 0.95 2.70 8.20 0.00 -1.10 -4.30 105.19 111.40 1mpe n GLY 9 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.41 -2.40 1.61 0.00 -1.26 -4.99 118.16 111.53 1mpe n LYS 10 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 58.31 57.14 1mpe n LYS 10 Cb 0.00 -0.75 0.10 0.00 0.00 0.00 0.00 35.03 34.38 1mpe n LYS 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1mpe n THR 11 N 1.51 0.00 0.00 3.15 -2.24 -1.26 -4.97 114.28 110.47 1mpe n THR 11 Ca 0.04 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1mpe n THR 11 Cb 0.68 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1mpe n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mpe n LEU 12 N -1.29 0.00 -3.74 3.22 -0.00 -1.26 -5.15 117.00 108.78 1mpe n LEU 12 Ca -0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.72 1mpe n LEU 12 Cb 0.84 0.15 -0.06 0.00 -0.00 0.00 0.00 43.42 44.35 1mpe n LEU 12 CO -0.15 -0.15 0.04 -0.75 -0.00 0.00 0.00 177.39 176.38 1mpe s LYS 13 N -1.35 0.92 0.00 1.47 2.20 -1.26 -5.06 119.74 116.66 1mpe s LYS 13 Ca 0.00 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1mpe s LYS 13 Cb 0.00 0.39 -0.26 0.00 -1.51 0.00 0.00 37.83 36.46 1mpe s LYS 13 CO 0.00 -0.32 0.85 0.78 -0.36 0.00 0.00 175.35 176.30 1mpe h GLY 14 N 2.76 0.18 -7.41 5.54 0.00 -2.00 -3.44 103.07 98.70 1mpe h GLY 14 Ca -0.33 -0.46 -0.20 0.00 0.00 0.00 0.00 47.33 46.34 1mpe h GLY 14 CO 0.50 0.41 0.64 -0.54 0.00 0.00 0.00 176.54 177.54 1mpe s GLU 15 N -2.62 1.91 -0.38 4.80 0.41 -1.26 -4.90 118.70 116.65 1mpe s GLU 15 Ca -0.07 0.66 -0.13 0.00 -0.41 0.00 0.00 54.97 55.02 1mpe s GLU 15 Cb 0.08 -4.74 0.01 0.00 -1.78 0.00 0.00 34.13 27.70 1mpe s GLU 15 CO 0.84 -3.90 0.25 0.99 -0.49 0.00 0.00 175.26 172.94 1mpe s THR 16 N 13.20 5.00 0.00 3.63 2.01 -1.26 -4.81 115.64 133.41 1mpe s THR 16 Ca 0.90 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1mpe s THR 16 Cb -0.13 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1mpe s THR 16 CO 0.13 -0.19 0.00 0.41 -0.69 0.00 0.00 174.62 174.28 1mpe n THR 17 N 5.08 0.00 -2.83 -0.82 -1.04 -1.26 -4.99 114.28 108.43 1mpe n THR 17 Ca -0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 1mpe n THR 17 Cb 0.47 -0.41 -0.01 0.00 -1.82 0.00 0.00 70.33 68.56 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 -1.91 4.65 0.12 12.58 -1.32 -1.26 -4.99 115.64 123.52 1mpe s THR 18 Ca 0.00 -2.00 -0.32 0.00 -1.21 0.00 0.00 61.69 58.15 1mpe s THR 18 Cb 0.00 -4.95 -0.12 0.00 -1.51 0.00 0.00 72.50 65.93 1mpe s THR 18 CO 0.00 -1.70 1.78 -0.62 -2.21 0.00 0.00 174.62 171.87 1mpe n GLU 19 N 6.77 2.61 0.02 7.08 1.02 -1.26 -4.81 120.64 132.07 1mpe n GLU 19 Ca 0.35 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.44 1mpe n GLU 19 Cb 0.46 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 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 5.07 2.71 -1.46 0.62 0.00 -1.26 -4.96 120.51 121.23 1mpe n ALA 20 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 1mpe n ALA 20 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.61 2.60 -4.03 0.00 0.24 -1.26 -4.83 118.33 108.43 1mpe n VAL 21 Ca 0.00 -2.29 -0.34 0.00 -2.04 0.00 0.00 64.34 59.67 1mpe n VAL 21 Cb 0.00 -2.45 -0.06 0.00 -1.47 0.00 0.00 33.84 29.86 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 4.21 5.97 0.25 -1.34 2.15 -1.26 -1.20 116.67 125.44 1mpe s ASP 22 Ca 0.53 0.27 -0.04 0.00 0.43 0.00 0.00 52.55 53.74 1mpe s ASP 22 Cb 0.14 -1.81 0.44 0.00 -0.30 0.00 0.00 42.92 41.39 1mpe s ASP 22 CO 0.02 0.31 1.76 0.00 -0.17 0.00 0.00 175.17 177.09 1mpe h ALA 23 N 4.29 1.12 -0.19 3.66 0.00 -1.82 0.69 119.26 127.01 1mpe h ALA 23 Ca -0.50 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1mpe h ALA 23 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1mpe h ALA 23 CO 0.63 -0.10 -0.14 0.00 0.00 0.00 0.00 179.25 179.64 1mpe h ALA 24 N 1.51 1.42 -0.62 0.00 0.00 -1.95 -2.37 119.26 117.26 1mpe h ALA 24 Ca 0.41 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1mpe h ALA 24 Cb 0.54 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1mpe h ALA 24 CO -0.34 0.40 0.19 1.15 0.00 0.00 0.00 179.25 180.65 1mpe h THR 25 N 0.28 1.23 0.03 0.00 2.02 -1.20 -2.00 112.91 113.28 1mpe h THR 25 Ca 0.06 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1mpe h THR 25 Cb 0.42 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1mpe h THR 25 CO 0.03 0.31 -0.01 0.15 0.37 0.00 0.00 175.52 176.36 1mpe h PHE 26 N 0.91 -0.04 -0.22 3.16 3.57 -0.90 -0.90 116.94 122.52 1mpe h PHE 26 Ca 0.20 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1mpe h PHE 26 Cb 0.26 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1mpe h PHE 26 CO 0.02 0.18 0.01 0.93 -2.23 0.00 0.00 178.31 177.22 1mpe h GLU 27 N -0.24 0.08 0.06 1.11 5.08 -1.31 0.21 114.58 119.56 1mpe h GLU 27 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mpe h GLU 27 Cb 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1mpe h GLU 27 CO 0.01 0.06 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.82 1mpe h LYS 28 N 0.09 -0.07 -0.48 2.33 3.64 -1.36 0.08 116.57 120.79 1mpe h LYS 28 Ca 0.10 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1mpe h LYS 28 Cb 0.12 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1mpe h LYS 28 CO -0.16 0.24 0.13 0.28 -2.27 0.00 0.00 179.45 177.68 1mpe h VAL 29 N -0.39 1.23 -0.17 2.00 2.07 -1.11 -0.89 116.25 118.98 1mpe h VAL 29 Ca -0.01 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1mpe h VAL 29 Cb 0.35 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1mpe h VAL 29 CO 0.01 0.28 -0.17 0.58 0.02 0.00 0.00 177.57 178.29 1mpe h VAL 30 N 0.64 1.34 -0.32 2.57 2.07 -0.62 -0.18 116.25 121.74 1mpe h VAL 30 Ca 0.15 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1mpe h VAL 30 Cb 0.29 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1mpe h VAL 30 CO -0.00 0.40 0.07 0.50 0.02 0.00 0.00 177.57 178.55 1mpe h LYS 31 N 0.06 0.53 -0.51 1.57 3.64 -0.98 -0.21 116.57 120.67 1mpe h LYS 31 Ca 0.03 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1mpe h LYS 31 Cb 0.71 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1mpe h LYS 31 CO 0.04 0.60 0.10 0.37 -2.27 0.00 0.00 179.45 178.30 1mpe h GLN 32 N 0.37 0.83 -0.15 1.90 -0.00 -1.20 0.82 115.11 117.67 1mpe h GLN 32 Ca 0.10 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.51 1mpe h GLN 32 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.69 1mpe h GLN 32 CO 0.00 0.81 -0.03 0.35 0.00 0.00 0.00 178.83 179.96 1mpe h PHE 33 N 0.71 0.32 0.00 3.99 3.57 -0.92 -3.27 116.94 121.33 1mpe h PHE 33 Ca 0.16 -0.07 -0.18 0.00 3.53 0.00 0.00 57.97 61.40 1mpe h PHE 33 Cb 0.37 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1mpe h PHE 33 CO 0.03 0.56 -0.87 0.74 -2.23 0.00 0.00 178.31 176.54 1mpe h PHE 34 N -0.02 0.00 -0.47 0.41 0.04 -1.05 -3.22 116.94 112.64 1mpe h PHE 34 Ca 0.04 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.94 1mpe h PHE 34 Cb 0.46 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1mpe h PHE 34 CO 0.05 0.87 0.35 -0.91 -0.60 0.00 0.00 178.31 178.08 1mpe h ASN 35 N 0.00 0.00 0.06 2.17 -0.26 -0.88 0.17 115.58 116.84 1mpe h ASN 35 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1mpe h ASN 35 Cb 1.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.80 1mpe h ASN 35 CO 0.11 0.00 0.00 0.44 -1.06 0.00 0.00 177.43 176.92 1mpe h ASP 36 N 0.00 0.00 0.00 5.81 3.32 -1.62 -1.79 116.42 122.14 1mpe h ASP 36 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1mpe h ASP 36 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1mpe h ASP 36 CO -0.00 0.00 -1.60 -0.46 -1.72 0.00 0.00 179.24 175.46 1mpe n ASN 37 N -2.75 0.88 0.00 6.45 0.23 0.58 -4.98 115.26 115.66 1mpe n ASN 37 Ca -0.02 -0.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.83 1mpe n ASN 37 Cb 0.07 1.64 0.00 0.00 -2.08 0.00 0.00 39.78 39.41 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 1.47 0.96 3.83 4.83 0.00 -0.67 -5.14 105.19 110.47 1mpe n GLY 38 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.25 4.78 0.37 1.61 1.01 -1.19 -5.00 120.40 120.74 1mpe s VAL 39 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 1mpe s VAL 39 Cb 0.00 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1mpe s VAL 39 CO 0.00 0.35 0.68 0.47 0.00 0.00 0.00 175.10 176.60 1mpe n ASP 40 N 1.12 -1.96 0.00 3.32 9.92 -1.26 -4.13 116.55 123.56 1mpe n ASP 40 Ca -0.07 -2.62 0.00 0.00 -0.53 0.00 0.00 54.79 51.57 1mpe n ASP 40 Cb 0.51 3.34 0.00 0.00 -0.64 0.00 0.00 41.12 44.33 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 -0.53 0.15 3.23 0.44 0.00 -1.26 -5.07 105.19 102.15 1mpe n GLY 41 Ca -0.06 -1.93 -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 0.81 -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 1.39 -1.58 0.02 0.00 0.00 175.26 174.83 1mpe s TRP 43 N -2.90 2.56 -0.06 1.61 0.52 -1.26 -5.01 118.94 114.40 1mpe s TRP 43 Ca -0.02 0.77 0.01 0.00 0.02 0.00 0.00 56.10 56.88 1mpe s TRP 43 Cb 0.00 -3.71 -0.03 0.00 -1.15 0.00 0.00 33.47 28.58 1mpe s TRP 43 CO -0.06 -2.28 -0.08 0.95 0.02 0.00 0.00 176.95 175.51 1mpe s THR 44 N 3.97 3.61 0.37 2.01 -4.23 -1.26 -5.10 115.64 115.01 1mpe s THR 44 Ca 0.61 -0.55 -0.26 0.00 -1.18 0.00 0.00 61.69 60.31 1mpe s THR 44 Cb -0.23 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.04 1mpe s THR 44 CO 0.21 0.57 1.17 -0.31 -0.54 0.00 0.00 174.62 175.72 1mpe s TYR 45 N -0.82 3.15 0.71 3.99 2.02 -1.26 -5.01 117.35 120.12 1mpe s TYR 45 Ca 0.13 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.27 1mpe s TYR 45 Cb -0.11 -3.41 0.02 0.00 -0.40 0.00 0.00 41.96 38.07 1mpe s TYR 45 CO 0.02 -1.26 1.08 -0.51 -1.57 0.00 0.00 175.55 173.32 1mpe s ASP 46 N -1.03 5.00 0.15 2.29 1.11 -1.26 -4.96 116.67 117.97 1mpe s ASP 46 Ca 0.54 1.79 -0.31 0.00 0.18 0.00 0.00 52.55 54.74 1mpe s ASP 46 Cb -0.32 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.06 1mpe s ASP 46 CO 0.40 -1.70 1.49 1.51 1.18 0.00 0.00 175.17 178.06 1mpe s ASP 47 N -3.33 6.68 0.42 0.27 -4.77 -1.26 -4.94 116.67 109.74 1mpe s ASP 47 Ca 0.61 2.51 -0.25 0.00 -3.30 0.00 0.00 52.55 52.12 1mpe s ASP 47 Cb -0.17 -2.59 -0.10 0.00 -1.09 0.00 0.00 42.92 38.97 1mpe s ASP 47 CO 0.51 -0.75 1.21 0.00 0.70 0.00 0.00 175.17 176.84 1mpe n ALA 48 N 3.85 1.03 -2.42 2.11 0.00 -1.26 -5.02 120.51 118.80 1mpe n ALA 48 Ca 0.12 0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 1mpe n ALA 48 Cb 0.40 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.21 0.45 -0.14 0.00 2.01 -1.26 -5.15 115.64 110.34 1mpe s THR 49 Ca 0.61 -1.57 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1mpe s THR 49 Cb -0.52 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 70.81 1mpe s THR 49 CO 0.58 -0.75 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.08 1mpe s LYS 50 N -3.02 2.21 -0.14 4.92 1.02 -1.26 -5.12 119.74 118.35 1mpe s LYS 50 Ca 0.02 -0.53 -0.04 0.00 0.02 0.00 0.00 55.97 55.44 1mpe s LYS 50 Cb 0.00 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1mpe s LYS 50 CO -0.04 -0.22 0.01 0.99 -0.92 0.00 0.00 175.35 175.16 1mpe s THR 51 N 1.46 4.32 -0.27 2.17 2.01 -1.26 -5.08 115.64 118.99 1mpe s THR 51 Ca 0.04 -0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 1mpe s THR 51 Cb -0.13 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.50 1mpe s THR 51 CO -0.10 0.52 1.02 0.12 -0.69 0.00 0.00 174.62 175.49 1mpe s PHE 52 N -0.01 3.26 -0.22 4.92 5.36 -1.26 -5.02 117.98 125.01 1mpe s PHE 52 Ca 0.03 1.29 -0.17 0.00 -0.96 0.00 0.00 56.93 57.12 1mpe s PHE 52 Cb -0.13 -3.40 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 1mpe s PHE 52 CO 0.02 -0.58 0.47 0.99 -1.46 0.00 0.00 175.22 174.66 1mpe s THR 53 N 3.32 5.13 0.66 0.12 2.01 -1.26 -5.06 115.64 120.55 1mpe s THR 53 Ca 0.43 0.83 -0.14 0.00 0.31 0.00 0.00 61.69 63.12 1mpe s THR 53 Cb -0.14 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 1mpe s THR 53 CO 0.10 0.17 1.09 -0.69 -0.69 0.00 0.00 174.62 174.60 1mpe s VAL 54 N 1.75 3.46 0.04 3.82 1.01 -1.26 -4.96 120.40 124.25 1mpe s VAL 54 Ca 0.21 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1mpe s VAL 54 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1mpe s VAL 54 CO 0.09 -0.45 0.00 0.41 0.00 0.00 0.00 175.10 175.15 1mpe n THR 55 N -2.48 0.00 -0.47 3.92 -1.04 -1.26 -5.34 114.28 107.61 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 -0.03 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